Structures published

Total: 1 348

0.75(C₁₆H₂₃Au₁ClN₇O)_,0.25(C₁₆H₂₃Ag₁ClN₇O)

Almalioti, Foteini MacDougall, James Hughes, Stephen Hasson, Mohammed M.Jenkins, Robert L.Ward, Benjamin D.Tizzard, Graham J.Coles, Simon J.Williams, David W.Bamford, Sarah Fallis, Ian A.Dervisi, Athanasia

Dalton transactions (Cambridge, England : 2003) (2013) 42, 34 12370-12380

a=7.0421(7)Å b=20.089(2)Å c=13.0920(13)Å

α=90.00° β=94.120(7)° γ=90.00°

C₁₀H₁₆N₄O₂

Dalton transactions (Cambridge, England : 2003) (2013) 42, 34 12370-12380

a=7.3461(6)Å b=8.7159(8)Å c=8.8803(9)Å

α=91.820(7)° β=102.865(7)° γ=100.602(7)°

C₁₄H₂₁AuClN₇

Dalton transactions (Cambridge, England : 2003) (2013) 42, 34 12370-12380

a=6.627(6)Å b=9.6686(8)Å c=26.780(3)Å

α=90.00° β=96.24(4)° γ=90.00°

C₁₄H₂₁AgClN_7,CHCl₃

Dalton transactions (Cambridge, England : 2003) (2013) 42, 34 12370-12380

a=6.6913(3)Å b=32.6023(17)Å c=9.7316(6)Å

α=90.00° β=94.225(7)° γ=90.00°

TiF2(salen)

C₁₆H₁₄F₂N₂O₂Ti

Coles, Simon J.Hursthouse, Michael B.Kelly, David G.Toner, Andrew J.Walker, Neil M.

Journal of the Chemical Society, Dalton Transactions (1998) 20 3489

a=14.285(2)Å b=8.881(3)Å c=12.3799(11)Å

α=90.00° β=109.733(9)° γ=90.00°

C₁₈H₃₀Cl₄N₄O₄Pt₂S_2,CH₂Cl₂

Marshall, Paul Jenkins, Robert L.Clegg, William Harrington, Ross W.Callear, Samantha K.Coles, Simon J.Fallis, Ian A.Dervisi, Athanasia

Dalton transactions (Cambridge, England : 2003) (2012) 41, 41 12839-12846

a=15.032(12)Å b=15.651(13)Å c=6.587(5)Å

α=90.00° β=90.00° γ=90.00°

C₂₂H₃₈Cl₄N₄O₄Pt₂S₂

Marshall, Paul Jenkins, Robert L.Clegg, William Harrington, Ross W.Callear, Samantha K.Coles, Simon J.Fallis, Ian A.Dervisi, Athanasia

Dalton transactions (Cambridge, England : 2003) (2012) 41, 41 12839-12846

a=19.248(6)Å b=19.248(6)Å c=23.080(14)Å

α=90.00° β=90.00° γ=90.00°

C₃₄H₃₀AgMn₃N₆O₈

Sanz, Sergio Frost, Jamie M.Lorusso, Giulia Evangelisti, Marco Pitak, Mateusz B.Coles, Simon J.Nichol, Gary S.Brechin, Euan K.

Dalton transactions (Cambridge, England : 2003) (2014) 43, 12 4622-4625

a=12.9417(5)Å b=12.9939(5)Å c=14.0502(6)Å

α=65.470(4)° β=64.209(4)° γ=60.181(4)°

C₃₇H₃₆AuMn₃N₆O_8,CH₄O

Sanz, Sergio Frost, Jamie M.Lorusso, Giulia Evangelisti, Marco Pitak, Mateusz B.Coles, Simon J.Nichol, Gary S.Brechin, Euan K.

Dalton transactions (Cambridge, England : 2003) (2014) 43, 12 4622-4625

a=12.9132(3)Å b=13.2833(4)Å c=13.3983(9)Å

α=62.714(4)° β=76.424(5)° γ=89.144(6)°

1.1'-Bis[(pyridylmethlyamino)carbonyl]ferrocene

C₂₄H₂₂FeN₄O₂

Carr, Jonathan D.Coles, Simon J.Hassan, William W.Hursthouse, Michael B.Malik, K. M. Abdul Tucker, James H. R.

Journal of the Chemical Society, Dalton Transactions (1999) 1 57

a=8.894(2)Å b=9.855(2)Å c=13.892(3)Å

α=106.01(3)° β=98.80(3)° γ=113.58(3)°

C₃₆H₃₀ClN₂O₂P₂Pd

Dervisi, Athanasia Edwards, Peter G.Newman, Paul D.Tooze, Robert P.Coles, Simon J.Hursthouse, Michael B.

Journal of the Chemical Society, Dalton Transactions (1999) 7 1113

a=18.084(9)Å b=15.609(8)Å c=24.354(2)Å

α=90.00° β=110.630(10)° γ=90.00°

C₄₂H₃₇F₃N₂O₂P₂Pd

Dervisi, Athanasia Edwards, Peter G.Newman, Paul D.Tooze, Robert P.Coles, Simon J.Hursthouse, Michael B.

Journal of the Chemical Society, Dalton Transactions (1999) 7 1113

a=11.557(4)Å b=20.895(2)Å c=15.5579(7)Å

α=90.00° β=92.767(10)° γ=90.00°

C₄₆H₄₈BF₁₅HfOSi₂

Pindado, Gerardo Jiménez Thornton-Pett, Mark Hursthouse, Michael B.Coles, Simon J.Bochmann, M.

Journal of the Chemical Society, Dalton Transactions (1999) 10 1663

a=11.1910(15)Å b=13.1465(15)Å c=17.506(2)Å

α=104.763(10)° β=94.315(11)° γ=103.276(10)°

C₃₄H₂₈BF₁₅Si₂Zr

Pindado, Gerardo Jiménez Thornton-Pett, Mark Hursthouse, Michael B.Coles, Simon J.Bochmann, M.

Journal of the Chemical Society, Dalton Transactions (1999) 10 1663

a=10.068(7)Å b=11.442(16)Å c=16.218(17)Å

α=96.79(3)° β=105.19(5)° γ=94.15(6)°

Pd₂(muPh₂Ppy)₂(O₂CCF₃)₂

Dervisi, Athanasia Edwards, Peter G.Newman, Paul D.Tooze, Robert P.Coles, Simon J.Hursthouse, Michael B.

Journal of the Chemical Society, Dalton Transactions (1998) 22 3771

a=12.532(2)Å b=20.159(4)Å c=14.7610(6)Å

α=90.00° β=104.24(3)° γ=90.00°

Pd₂(muPh₂Ppy)₂(OAc)₂

Dervisi, Athanasia Edwards, Peter G.Newman, Paul D.Tooze, Robert P.Coles, Simon J.Hursthouse, Michael B.

Journal of the Chemical Society, Dalton Transactions (1998) 22 3771

a=12.413(9)Å b=20.703(10)Å c=15.580(9)Å

α=90.00° β=108.53(10)° γ=90.00°

C₃₆H₅₀F₃N₅O₆Si_0.5

Coles, Simon J.Frey, Jeremy G.Gale, Philip A.Hursthouse, Michael B.Light, Mark E.Navakhun, Korakot Thomas, Gemma L.

Chemical Communications (Cambridge, United Kingdom) (2003) 5 568-569

a=11.4442(6)Å b=12.3142(8)Å c=13.2507(7)Å

α=86.370(5)° β=85.797(4)° γ=78.520(2)°

C₃₆H₄₈FN₇O₁₀

Coles, Simon J.Frey, Jeremy G.Gale, Philip A.Hursthouse, Michael B.Light, Mark E.Navakhun, Korakot Thomas, Gemma L.

Chemical Communications (Cambridge, United Kingdom) (2003) 5 568-569

a=18.9979(13)Å b=22.1130(11)Å c=17.9782(10)Å

α=90.00° β=91.571(2)° γ=90.00°

C₁₈H₂₈N₂O₂SSi

Patient, Lee Berry, Malcolm B.Coles, Simon J.Hursthouse, Mike B.Kilburn, Jeremy D.

Chemical Communications (Cambridge, United Kingdom) (2003) 20 2552-2553

a=14.291(3)Å b=11.709(2)Å c=13.341(3)Å

α=90.00° β=115.86(3)° γ=90.00°

C₁₇H₂₆N₂O₂SSi

Patient, Lee Berry, Malcolm B.Coles, Simon J.Hursthouse, Mike B.Kilburn, Jeremy D.

Chemical Communications (Cambridge, United Kingdom) (2003) 20 2552-2553

a=8.5369(4)Å b=9.7508(4)Å c=12.0846(7)Å

α=113.047(2)° β=96.842(2)° γ=93.051(4)°

C₁₆H₂₂N₂O₂S

Patient, Lee Berry, Malcolm B.Coles, Simon J.Hursthouse, Mike B.Kilburn, Jeremy D.

Chemical Communications (Cambridge, United Kingdom) (2003) 20 2552-2553

a=12.8588(2)Å b=10.7382(2)Å c=23.1122(4)Å

α=90.00° β=93.811(3)° γ=90.00°

C₁₈H₂₈N₂O₂SSi

Patient, Lee Berry, Malcolm B.Coles, Simon J.Hursthouse, Mike B.Kilburn, Jeremy D.

Chemical Communications (Cambridge, United Kingdom) (2003) 20 2552-2553

a=8.9559(4)Å b=9.0489(4)Å c=24.0779(13)Å

α=85.016(2)° β=88.2630(10)° γ=87.538(2)°

C₁₉H₃₀N₂O₂SSi

Patient, Lee Berry, Malcolm B.Coles, Simon J.Hursthouse, Mike B.Kilburn, Jeremy D.

Chemical Communications (Cambridge, United Kingdom) (2003) 20 2552-2553

a=14.8295(3)Å b=11.9683(2)Å c=12.0257(2)Å

α=90.00° β=105.1330(10)° γ=90.00°

C₃₇H₃₆N₄O_4,2(C₃₂H₂₈N₄O₄)_,0.5(C₂H₆O)_,0.5(CH₄O)_,2(H₂O)

Nigel S. Simpkins Damian F. Weske Louise Male Simon J. Coles Mateusz B. Pitak

Chem.Commun. (2013) 49, 5010

a=10.0536(3)Å b=38.7489(11)Å c=11.7046(3)Å

α=90.00° β=92.610(2)° γ=90.00°

C₃₉H₄₀N₄O_4,2(C₃₂H₂₈N₄O₄)_,3.5(C₂H₆O)

Nigel S. Simpkins Damian F. Weske Louise Male Simon J. Coles Mateusz B. Pitak

Chem.Commun. (2013) 49, 5010

a=10.8101(6)Å b=21.2231(13)Å c=22.7870(16)Å

α=110.488(8)° β=97.325(7)° γ=97.504(7)°

C₁₄H₁₆O₃

Marson, Charles M Edaan, Esra Morrell, James M Coles, Simon J Hursthouse, Michael B Davies, David T

Chemical communications (Cambridge, England) (2007) 24 2494-2496

a=6.2521(3)Å b=9.3237(17)Å c=20.809(4)Å

α=90° β=90° γ=90°

C₃₄H₃₄F₄S₄

Peter Skabara Simon J. Coles David J. Crouch Martin J. Heeney Michael B. Hursthouse I. McCulloch

Chemical Communications (2005)

a=20.5113(12)Å b=20.5113(12)Å c=14.2496(11)Å

α=90.00° β=90.00° γ=90.00°

C₄₆H₅₈F₄S₄

Peter Skabara Simon J. Coles David J. Crouch Martin J. Heeney Michael B. Hursthouse I. McCulloch

Chemical Communications (2005)

a=6.1497(2)Å b=11.3722(8)Å c=15.4457(10)Å

α=91.678(3)° β=97.587(4)° γ=102.556(4)°

C₂₁H₂₅N₃O₆

Raymond C. F. Jones James N. Iley Maria Sanchis-Amat Xiaohui Zhang Vickie McKee Simon J. Coles Thomas Gelbrich

Chem.Commun. (2011) 47, 7965

a=11.331(2)Å b=13.023(3)Å c=15.005(3)Å

α=100.18(3)° β=108.98(3)° γ=90.44(3)°

C₂₂H₂₈N₂O₈

Raymond C. F. Jones James N. Iley Maria Sanchis-Amat Xiaohui Zhang Vickie McKee Simon J. Coles Thomas Gelbrich

Chem.Commun. (2011) 47, 7965

a=7.4904(10)Å b=12.842(2)Å c=13.370(2)Å

α=68.762(6)° β=75.646(6)° γ=80.916(8)°

C₅₆H₄₅Cl₇O₆P₂Pd

Baber, R. Angharad Bedford, Robin B.Betham, Michael Blake, Michael E.Coles, Simon J.Haddow, Mairi F.Hursthouse, Michael B.Orpen, A. Guy Pilarski, Lukasz T.Pringle, Paul G.Wingada, Richard L.

Chemical Communications (Cambridge, United Kingdom) (2006) 37 3880-3882

a=9.7215(14)Å b=21.165(4)Å c=25.864(4)Å

α=90.00° β=90.00° γ=90.00°

C₄₆H₂₇ClO₆P₂Pd_,3(CHCl₃)

Baber, R. Angharad Bedford, Robin B.Betham, Michael Blake, Michael E.Coles, Simon J.Haddow, Mairi F.Hursthouse, Michael B.Orpen, A. Guy Pilarski, Lukasz T.Pringle, Paul G.Wingada, Richard L.

Chemical Communications (Cambridge, United Kingdom) (2006) 37 3880-3882

a=10.425(2)Å b=9.2502(19)Å c=25.909(5)Å

α=90.00° β=95.57(3)° γ=90.00°

C₁₀₈H₈₈Cl₄O₁₂P₄Pd₂

Baber, R. Angharad Bedford, Robin B.Betham, Michael Blake, Michael E.Coles, Simon J.Haddow, Mairi F.Hursthouse, Michael B.Orpen, A. Guy Pilarski, Lukasz T.Pringle, Paul G.Wingada, Richard L.

Chemical Communications (Cambridge, United Kingdom) (2006) 37 3880-3882

a=15.6433(17)Å b=19.522(3)Å c=18.184(2)Å

α=90.00° β=93.354(5)° γ=90.00°

C₆₆H₉₂F₆O₃PPdS₃Sb

Bedford, Robin B Betham, Michael Butts, Craig P Coles, Simon J Hursthouse, Michael B Noelle Scully, P Tucker, James H R Wilkie, John Willener, Yasmine

Chemical communications (Cambridge, England) (2008) 21 2429-2431

a=12.32(2)Å b=12.719(13)Å c=22.10(5)Å

α=83.91(11)° β=79.8(2)° γ=78.56(8)°

C₄₂H₆₂Cl₂O₃PPd_,C₄₈H₇₄O₃PPdS_3,C₂D₃N

Bedford, Robin B Betham, Michael Butts, Craig P Coles, Simon J Hursthouse, Michael B Noelle Scully, P Tucker, James H R Wilkie, John Willener, Yasmine

Chemical communications (Cambridge, England) (2008) 21 2429-2431

a=15.297(4)Å b=18.455(4)Å c=19.724(7)Å

α=108.554(19)° β=107.430(19)° γ=98.853(15)°

C₇₈H₆₆F₆IrN₆O₂P

Andrew J. Hallett Nathan White Wanhua Wu Xiaoneng Cui Peter N. Horton Simon J. Coles Jianzhang Zhao Simon J. A. Pope

Chem.Commun. (2012) 48, 10838

a=14.07(2)Å b=14.37(2)Å c=33.86(5)Å

α=90.00° β=96.315(19)° γ=90.00°

1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride

C₁₃H₁₀N₄O_5,C₄H₁₂N_,Cl

Kirby, Isabelle L.Brightwell, Mark Pitak, Mateusz B.Wilson, Claire Coles, Simon J.Gale, Philip A.

Physical chemistry chemical physics : PCCP (2014) 16, 22 10943-10958

a=7.6033(2)Å b=11.4827(3)Å c=11.8705(4)Å

α=83.1860(10)° β=71.662(2)° γ=80.423(2)°

1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate

C₁₃H₁₀N₄O_5,C₄H₁₂N_,C₂H₃O₂

Kirby, Isabelle L.Brightwell, Mark Pitak, Mateusz B.Wilson, Claire Coles, Simon J.Gale, Philip A.

Physical chemistry chemical physics : PCCP (2014) 16, 22 10943-10958

a=7.797(2)Å b=11.214(3)Å c=12.211(3)Å

α=91.753(5)° β=104.560(7)° γ=95.232(13)°

1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride

C₁₃H₁₀N₄O_5,C₄H₁₂N_,Cl

Kirby, Isabelle L.Brightwell, Mark Pitak, Mateusz B.Wilson, Claire Coles, Simon J.Gale, Philip A.

Physical chemistry chemical physics : PCCP (2014) 16, 22 10943-10958

a=6.8211(5)Å b=14.4139(11)Å c=19.7918(16)Å

α=90.00° β=90.00° γ=90.00°

1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride

2(C₁₃H₁₀N₄O₅)_,C₄H₁₂N_,F

Kirby, Isabelle L.Brightwell, Mark Pitak, Mateusz B.Wilson, Claire Coles, Simon J.Gale, Philip A.

Physical chemistry chemical physics : PCCP (2014) 16, 22 10943-10958

a=35.929(6)Å b=7.0153(11)Å c=12.624(2)Å

α=90° β=90° γ=90°

1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate

C₁₃H₈N₆O_9,C₄H₁₂N_,C₂H₃O₂

Kirby, Isabelle L.Brightwell, Mark Pitak, Mateusz B.Wilson, Claire Coles, Simon J.Gale, Philip A.

Physical chemistry chemical physics : PCCP (2014) 16, 22 10943-10958

a=9.602(3)Å b=10.807(3)Å c=12.433(4)Å

α=109.859(5)° β=96.598(3)° γ=103.5372(5)°

C₂₃H₂₈N₄O₄S₂

Adamson, Jason Coe, Benjamin J.Grassam, Helen L.Jeffery, John C.Coles, Simon J.Hursthouse, Michael B.

Journal of the Chemical Society, Perkin Transactions 1 (1999) 17 2483

a=8.9200(10)Å b=9.8450(10)Å c=26.8780(10)Å

α=90° β=92.23(2)° γ=90°

C₂₁H₁₆Cl₂O₂S₂

Gabbutt, Christopher D.Hepworth, John D.Heron, B. Mark Coles, Simon J.Hursthouse, Michael B.

Journal of the Chemical Society, Perkin Transactions 1 (2000) 17 2930

a=6.977(10)Å b=40.172(17)Å c=7.607(14)Å

α=90.00° β=115.05(9)° γ=90.00°

C₅H₅Br₁I₁N₁

Jones, Richard H.Knight, Kevin S.Marshall, William G.Clews, John Darton, Richard J.Pyatt, Daniel Coles, Simon J.Horton, Peter N.

CrystEngComm (2014) 16, 2 237

a=4.25640(10)Å b=12.7251(4)Å c=13.9443(3)Å

α=90° β=98.358(2)° γ=90°

C₅H₅Br₁I₁N₁

Jones, Richard H.Knight, Kevin S.Marshall, William G.Clews, John Darton, Richard J.Pyatt, Daniel Coles, Simon J.Horton, Peter N.

CrystEngComm (2014) 16, 2 237

a=4.3813(2)Å b=12.6339(5)Å c=14.1942(4)Å

α=90° β=97.706(2)° γ=90°

C₅H₅Cl₁I₁N₁

Jones, Richard H.Knight, Kevin S.Marshall, William G.Clews, John Darton, Richard J.Pyatt, Daniel Coles, Simon J.Horton, Peter N.

CrystEngComm (2014) 16, 2 237

a=4.2746(2)Å b=12.3214(8)Å c=14.1019(8)Å

α=90° β=94.883(4)° γ=90°

C₅H₅Cl₁I₁N₁

Jones, Richard H.Knight, Kevin S.Marshall, William G.Clews, John Darton, Richard J.Pyatt, Daniel Coles, Simon J.Horton, Peter N.

CrystEngComm (2014) 16, 2 237

a=4.1628(2)Å b=12.3376(7)Å c=13.9514(7)Å

α=90° β=95.073(4)° γ=90°

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C₅D₅N₁I₁Br₁

Jones, Richard H.Knight, Kevin S.Marshall, William G.Clews, John Darton, Richard J.Pyatt, Daniel Coles, Simon J.Horton, Peter N.

CrystEngComm (2014) 16, 2 237

a=4.26162(9)Å b=12.71748(28)Å c=13.95174(31)Å

α=90.0° β=98.2979(9)° γ=90.0°

C₂₁H₂₀FN₂O₃

Blagden, N.Coles, S. J.Berry, D. J.

CrystEngComm (2014) 16, 26 5753

a=27.4599(12)Å b=5.6654(2)Å c=11.4275(5)Å

α=90.00° β=92.250(2)° γ=90.00°

1-dimethylamino-8-isopropylnaphthalene 8

C₁₆H₁₉NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=9.37(2)Å b=9.34(2)Å c=15.72(4)Å

α=90.00° β=90.00° γ=90.00°

8-acety1-1-dimethylaminonaphthalene, 7

C₁₄H₁₅NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=8.3814(2)Å b=10.2345(2)Å c=13.8672(9)Å

α=90.00° β=105.897(8)° γ=90.00°

1-dimethylamino-8-(2,2-dimethylpropanoyl)naphthalene 9

C₁₇H₂₁NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=10.4848(6)Å b=12.0004(7)Å c=12.0396(8)Å

α=73.685(5)° β=85.342(6)° γ=83.541(6)°

1-dimethylamino-8-trifluoroacetylnaphthalene 11

C₁₄H₁₂F₃NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=12.5626(8)Å b=7.4932(4)Å c=13.1887(9)Å

α=90.00° β=98.319(6)° γ=90.00°

1-Dimethylamino-4-trifluoroacetylnaphthalene 13

C₁₄H₁₂F₃NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=7.2319(13)Å b=8.6574(13)Å c=19.901(3)Å

α=90.00° β=90.00° γ=90.00°

2-Hydroxy-2-isopropyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium tetrafluoroborate, 8-H.BF4

C₁₆H₂₀BF₄NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=6.2039(2)Å b=10.6675(3)Å c=23.5777(8)Å

α=90.00° β=97.541(3)° γ=90.00°

2-Hydroxy-2-methyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate at 150K 7-H.triflate

C₁₅H₁₆F₃NO₄S

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=13.8475(10)Å b=7.7466(4)Å c=15.6785(9)Å

α=90.00° β=106.669(6)° γ=90.00°

N,N-Dimethyl-N-(8-benzoylnaphth-1-yl)ammonium tetrafluoroborate, 10-H.BF4

C₁₉H₁₈BF₄NO

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=13.6452(5)Å b=13.5547(4)Å c=18.2545(8)Å

α=90.00° β=90.00° γ=90.00°

1-dimethylammonium-8-(2,2-dimethylpropanoyl)naphthalene triflate 9-H.triflate

C₁₈H₂₂F₃NO₄S

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=21.072(4)Å b=11.828(3)Å c=16.397(4)Å

α=90.00° β=112.765(14)° γ=90.00°

2-Hydroxy-2-trifluoromethyl-1,1-dimethyl-1,2-dihydrobenzo[cd]indol-1-ium triflate monohydrate 11-H.triflate.H2O

C₁₄H₁₃F₃NO_,CF₃O₃S_,H₂O

Mercadal, Nerea Day, Stephen P.Jarmyn, Andrew Pitak, Mateusz B.Coles, Simon J.Wilson, Claire Rees, Gregory J.Hanna, John V.Wallis, John D.

CrystEngComm (2014) 16, 36 8363

a=10.3782(7)Å b=17.4219(8)Å c=9.9913(4)Å

α=90.00° β=103.321(7)° γ=90.00°

Lithium hemibenzoate

C₁₄H₁₁LiO₄

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=5.3600(3)Å b=8.5693(7)Å c=13.4999(11)Å

α=98.830(4)° β=93.800(5)° γ=95.524(5)°

Potassium hemibenzoate

C₁₄H₁₁KO₄

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=29.586(2)Å b=3.7964(3)Å c=11.1214(8)Å

α=90.00° β=97.096(9)° γ=90.00°

Rubidium hemibenzoate 6-coordinate polymorph 100 K

C₁₄H₁₁O₄Rb

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=29.347(4)Å b=3.8697(5)Å c=11.3973(16)Å

α=90.00° β=95.478(7)° γ=90.00°

Sodium benzoate.2benzoic acid

C₂₁H₁₇NaO₆

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=5.80770(10)Å b=14.4331(4)Å c=22.0139(6)Å

α=90.00° β=97.047(2)° γ=90.00°

Rubidium hemibenzoate 8 coordinate polymorph

C₁₄H₁₁O₄Rb

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=29.0315(9)Å b=6.9630(2)Å c=6.6156(2)Å

α=90.00° β=99.297(2)° γ=90.00°

Cesium hemibenzoate orthorhombic phase

C₁₄H₁₁CsO₄

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=28.3393(19)Å b=7.0215(3)Å c=6.9066(4)Å

α=90.00° β=90.00° γ=90.00°

Cesium hemibenzoate monoclinic polymorph

C₁₄H₁₁CsO₄

Rees, Gregory J.Day, Stephen P.Lari, Alberth Howes, Andrew P.Iuga, Dinu Pitak, Mateusz B.Coles, Simon J.Threlfall, Terry L.Light, Mark E.Smith, Mark E.Quigley, David Wallis, John D.Hanna, John V.

CrystEngComm (2013) 15, 43 8823

a=28.9095(8)Å b=7.0509(2)Å c=6.7779(2)Å

α=90.00° β=99.970(2)° γ=90.00°

1-(4-nitrophenyl)-3-phenyl thiourea

C₁₃H₁₁N₃O₂S

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=5.6328(7)Å b=7.7579(9)Å c=28.178(4)Å

α=90.00° β=92.324(7)° γ=90.00°

1-(4-nitrophenyl)-3-(phenyl)urea

C₁₃H₁₁N₃O₃

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=4.590(4)Å b=8.336(7)Å c=15.282(13)Å

α=90.00° β=96.929(17)° γ=90.00°

1-(4-nitropheny)-3-phenylurea TEACl

C₁₃H₁₁N₃O_3,C₈H₂₀N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=8.410(6)Å b=24.362(18)Å c=11.143(8)Å

α=90° β=106.286(7)° γ=90°

1-(4-nitrophenyl)-3-phenylthiourea TMA CL

2(C₁₃H₁₁N₃O₂S)_,C₄H₁₂N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=9.1587(14)Å b=10.2436(16)Å c=17.871(3)Å

α=87.983(6)° β=79.043(5)° γ=72.220(6)°

1-(4-nitrophenyl)-3-phenylurea with TEACl

C₁₃H₁₁N₃O_3,C₈H₂₀N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=8.393(2)Å b=24.366(6)Å c=11.151(3)Å

α=90.00° β=106.570(5)° γ=90.00°

1-(4-nitrophenyl)-3-phenylthiourea TMA CL

2(C₁₃H₁₁N₃O₂S)_,C₄H₁₂N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=9.1587(14)Å b=10.2436(16)Å c=17.871(3)Å

α=87.983(6)° β=79.043(5)° γ=72.220(6)°

1,3-bis(4-nitrophenyl)thiourea

C₁₃H₁₀N₄O₄S

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=8.2109(5)Å b=25.4709(18)Å c=12.5244(9)Å

α=90.00° β=96.054(2)° γ=90.00°

1,3-bis(4-nitrophenyl)thiourea TEA CL

2(C₁₃H₁₀N₄O₄S)_,C₈H₂₀N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wilson, Claire Gale, Philip A.Coles, Simon J.

CrystEngComm (2015) 17, 14 2815

a=8.968(2)Å b=15.649(4)Å c=15.899(4)Å

α=113.0610(10)° β=103.685(3)° γ=101.701(2)°

C₂₅H₁₇N₃O₂

Bobošíková, Mária Clegg, William Coles, Simon J.Dandárová, Miloslava Hursthouse, Michael B.Kiss, Tibor Krutošíková, Alžbeta Liptaj, Tibor Prónayová, Nad’a Ramsden, Christopher A.

Journal of the Chemical Society, Perkin Transactions 1 (2001) 7 680

a=15.508(2)Å b=3.832(4)Å c=30.909(2)Å

α=90.00° β=92.30(3)° γ=90.00°

C₂₀H₁₅N₃

Bobošíková, Mária Clegg, William Coles, Simon J.Dandárová, Miloslava Hursthouse, Michael B.Kiss, Tibor Krutošíková, Alžbeta Liptaj, Tibor Prónayová, Nad’a Ramsden, Christopher A.

Journal of the Chemical Society, Perkin Transactions 1 (2001) 7 680

a=25.908(5)Å b=10.067(2)Å c=11.851(2)Å

α=90.00° β=103.36(3)° γ=90.00°

C₄₀H₃₀N₂

Groundwater, Paul W.Garnett, Ian Morton, Andrew J.Sharif, Toqir Coles, Simon J.Hursthouse, Michael B.Nyerges, Miklos Anderson, Rosaleen J.Bendell, David McKillop, Alexander Zhang, Weimin

Journal of the Chemical Society, Perkin Transactions 1 (2001) 21 2781

a=10.257(2)Å b=28.375(5)Å c=10.590(2)Å

α=90.00° β=112.21(3)° γ=90.00°

C₄₂H₄₆N₄NiO₈P₂S₄

Crespo Alonso, M.Arca, M.Isaia, F.Lai, R.Lippolis, V.Callear, S. K.Caricato, M.Pasini, D.Coles, S. J.Aragoni, M. C.

CrystEngComm (2014) 16, 36 8582

a=15.332(2)Å b=8.6055(10)Å c=34.795(4)Å

α=90.00° β=90.00° γ=90.00°

C₃₈H₃₉N₄NiO_8.5P₂S₄

Crespo Alonso, M.Arca, M.Isaia, F.Lai, R.Lippolis, V.Callear, S. K.Caricato, M.Pasini, D.Coles, S. J.Aragoni, M. C.

CrystEngComm (2014) 16, 36 8582

a=9.6133(2)Å b=45.6542(12)Å c=10.5801(3)Å

α=90.00° β=113.2020(10)° γ=90.00°

1,3-bis(4-nitrophenyl)urea with tetramethylammonium chloride

C₁₃H₁₀N₄O_5,C₄H₁₂N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=7.6033(2)Å b=11.4827(3)Å c=11.8705(4)Å

α=83.1860(10)° β=71.662(2)° γ=80.423(2)°

1,3-bis(4-nitrophenyl)urea with tetramethylammonium acetate

C₁₃H₁₀N₄O_5,C₄H₁₂N_,C₂H₃O₂

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=7.797(2)Å b=11.214(3)Å c=12.211(3)Å

α=91.753(5)° β=104.560(7)° γ=95.232(13)°

1,3-bis(4-nitrophenyl)urea with tetramethylammonium fluoride

2(C₁₃H₁₀N₄O₅)_,C₄H₁₂N_,F

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=35.929(6)Å b=7.0153(11)Å c=12.624(2)Å

α=90.00° β=90.00° γ=90.00°

1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride

C₁₃H₁₀N₄O_5,C₄H₁₂N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=6.8211(5)Å b=14.4139(11)Å c=19.7918(16)Å

α=90.00° β=90.00° γ=90.00°

1,3(3-nitro)phenylurea with tma oac

C₁₃H₁₀N₄O_5,C₂H₃O_2,C₄H₁₂N

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=12.5269(3)Å b=6.6896(2)Å c=25.2440(9)Å

α=90.00° β=93.856(2)° γ=90.00°

1,3-bis(3,5-dinitrophenyl)urea with tetramethylacetate

C₁₃H₈N₆O_9,C₄H₁₂N_,C₂H₃O₂

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=9.602(3)Å b=10.807(3)Å c=12.433(4)Å

α=109.859(5)° β=96.598(3)° γ=103.5372(5)°

1,3-bis(2-nitrophenyl)urea

C₁₃H₁₀N₄O₅

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=21.8064(19)Å b=4.6133(3)Å c=12.5773(11)Å

α=90.00° β=90.00° γ=90.00°

1,3-bis(3-nitrophenyl)urea with tetramethylammonium chloride

C₁₃H₁₀N₄O_5,C₄H₁₂N_,Cl

Kirby, Isabelle L.Pitak, Mateusz B.Wenzel, Marco Wilson, Claire Sparkes, Hazel A.Coles, Simon J.Gale, Philip A.

CrystEngComm (2013) 15, 44 9003

a=6.812(3)Å b=14.403(5)Å c=19.790(7)Å

α=90.00° β=90.00° γ=90.00°

C₃D₆Br₂O₁

Jones, R. H.Knight, K. S.Marshall, W. G.Coles, S. J.Horton, P. N.Pitak, M. B.

CrystEngComm (2013) 15, 42 8572

a=7.5755(4)Å b=7.3774(4)Å c=12.0168(6)Å

α=90° β=102.173(3)° γ=90°

C₃D₆Br₂O₁

Jones, R. H.Knight, K. S.Marshall, W. G.Coles, S. J.Horton, P. N.Pitak, M. B.

CrystEngComm (2013) 15, 42 8572

a=7.6349(5)Å b=7.4263(6)Å c=12.1724(8)Å

α=90° β=102.788(4)° γ=90°