Structures published

Γ-cyclodextrin-metal-organic framework

C₄₈H₈₀O_40,2(KOH)

Patyk-Kaźmierczak, Ewa Warren, Mark R.Allan, David R.Katrusiak, Andrzej

Physical chemistry chemical physics : PCCP (2017) 19, 13 9086-9091

a=31.179(11)Å b=31.179(11)Å c=31.179(11)Å

α=90.0° β=90.0° γ=90.0°

C₃₆H₄₀CuF₆N₄O₈S₂

Cooper, Christine J.Jones, Matthew D.Brayshaw, Simon K.Sonnex, Benjamin Russell, Mark L.Mahon, Mary F.Allan, David R.

Dalton transactions (Cambridge, England : 2003) (2011) 40, 14 3677-3682

a=21.106(5)Å b=21.106(5)Å c=8.547(3)Å

α=90.00° β=90.00° γ=90.00°

C₂₄H₁₂O₁₅Sc_3,C₃H₇NO_,6(H₂O)

Ilich A. Ibarra Sihai Yang Xiang Lin Alexander J. Blake Pierre J. Rizkallah Harriott Nowell David R. Allan Neil R. Champness Peter Hubberstey Martin Schroder

Chem.Commun. (2011) 47, 8304

a=15.352(2)Å b=12.3850(10)Å c=46.027(8)Å

α=90.00° β=90.00° γ=90.00°

BenzothiopheneDTE

C₂₃H₁₄F₆S₂

Woodall, Christopher H.Brayshaw, Simon K.Schiffers, Stefanie Allan, David R.Parsons, Simon Valiente, Rafael Raithby, Paul R.

CrystEngComm (2014) 16, 11 2119

a=10.991(6)Å b=14.1391(8)Å c=12.033(4)Å

α=90.00° β=113.83(5)° γ=90.00°

BenzothiopheneDTE

C₂₃H₁₄F₆S₂

Woodall, Christopher H.Brayshaw, Simon K.Schiffers, Stefanie Allan, David R.Parsons, Simon Valiente, Rafael Raithby, Paul R.

CrystEngComm (2014) 16, 11 2119

a=10.930(2)Å b=13.961(3)Å c=11.922(2)Å

α=90.00° β=113.76(3)° γ=90.00°

DimethylthiopheneDTE

C₁₇H₁₄F₆S₂

Woodall, Christopher H.Brayshaw, Simon K.Schiffers, Stefanie Allan, David R.Parsons, Simon Valiente, Rafael Raithby, Paul R.

CrystEngComm (2014) 16, 11 2119

a=19.3247(61)Å b=8.6243(6)Å c=10.9544(7)Å

α=90.00° β=120.113(14)° γ=90.00°

DimethylthiopheneDTE

2(C₁₇H₁₄F₆S₂)

Woodall, Christopher H.Brayshaw, Simon K.Schiffers, Stefanie Allan, David R.Parsons, Simon Valiente, Rafael Raithby, Paul R.

CrystEngComm (2014) 16, 11 2119

a=10.377(2)Å b=16.060(3)Å c=15.031(3)Å

α=90.00° β=100.45(3)° γ=90.00°

Paracetamol hemi-piperazine

2[C₈H₉NO₂][C₄H₁₀N₂]

Oswald, Iain D. H.Allan, David R.McGregor, Pamela A.Motherwell, W. D. Samuel Parsons, Simon Pulham, Colin R.

Acta Crystallographica Section B (2002) 58, 6 1057-1066

a=15.893(5)Å b=5.1664(17)Å c=12.993(4)Å

α=90.00° β=113.633(5)° γ=90.00°

Phosphoric acid

H₃O₄P

Bull, Craig L.Funnell, Nicholas P.Pulham, Colin R.Marshall, William G.Allan, David R.

Acta Crystallographica Section B (2017) 73, 6 1068-1074

a=4.619(5)Å b=8.479(17)Å c=14.38(3)Å

α=90.00° β=90.00° γ=90.00°

Phosphoric acid

D₃O₄P

Bull, Craig L.Funnell, Nicholas P.Pulham, Colin R.Marshall, William G.Allan, David R.

Acta Crystallographica Section B (2017) 73, 6 1068-1074

a=4.6494(5)Å b=8.5580(9)Å c=14.5078(14)Å

α=90.0° β=90.0° γ=90.0°

Phosphoric acid

D₃O₄P

Bull, Craig L.Funnell, Nicholas P.Pulham, Colin R.Marshall, William G.Allan, David R.

Acta Crystallographica Section B (2017) 73, 6 1068-1074

a=4.5791(8)Å b=8.4031(14)Å c=14.2214(21)Å

α=90.0° β=90.0° γ=90.0°

Naphthalene

C₁₀H₈

F. P. A. Fabbiani D. R. Allan S. Parsons C. R. Pulham

Acta Crystallographica Section B (2006) 62, 5 826-842

a=7.8523(11)Å b=5.8106(9)Å c=8.474(2)Å

α=90.00° β=124.027(16)° γ=90.00°

Pyrene

C₁₆H₁₀

F. P. A. Fabbiani D. R. Allan S. Parsons C. R. Pulham

Acta Crystallographica Section B (2006) 62, 5 826-842

a=15.35(9)Å b=3.852(3)Å c=8.65(7)Å

α=90.00° β=103.3(4)° γ=90.00°

C₃H₇N₁O₂S₁

Moggach, Stephen A.Allan, David R.Clark, Stewart J.Gutmann, Matthias J.Parsons, Simon Pulham, Colin R.Sawyer, Lindsay

Acta Crystallographica Section B (2006) 62, 2 296-309

a=7.4146(19)Å b=12.000(3)Å c=5.3318(9)Å

α=90° β=90° γ=90°

C₄H₁₀O

P. A. McGregor D. R. Allan S. Parsons S. J. Clark

Acta Crystallographica, Section B (2006) 62, 4 599-605

a=6.2027Å b=9.1431Å c=14.7554Å

α=86.373° β=78.776° γ=76.363°

C₅H₁₀N₂O₃

Lozano-Casal, P.Allan, D. R.Parsons, S.

Acta Crystallographica Section B (2008) 64, 4 466-475

a=16.023(3)Å b=7.7678(18)Å c=5.1004(13)Å

α=90° β=90° γ=90°

C₆H₁₂Br₂PtS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=6.9789(13)Å b=11.211(3)Å c=12.04(4)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂I₂PdS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.1940(17)Å b=11.747(5)Å c=12.504(6)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂S₃PdI₂

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=6.962(3)Å b=11.299(8)Å c=12.160(11)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂I₂PtS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.1189(6)Å b=11.4718(12)Å c=12.271(16)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂I₂PtS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.1052(6)Å b=11.4442(15)Å c=12.207(19)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂I₂PtS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.0296(9)Å b=11.3196(17)Å c=12.20(2)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂Cl₂PdS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.0624(12)Å b=11.5835(9)Å c=11.2892(12)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂Cl₂PtS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.5480(13)Å b=12.196(3)Å c=12.234(4)Å

α=90.00° β=90.00° γ=90.00°

C₆H₁₂Cl₂PtS₃

Allan, David R.Bailey, Daniel Bird, Nigel Blake, Alexander J.Champness, Neil R.Huang, Deguang Keane, Conal P.McMaster, Jonathan Prior, Timothy J.Tidey, Jeremiah P.Schröder, Martin

Acta Crystallographica Section B (2014) 70, 3 469-486

a=7.1263(5)Å b=11.5122(10)Å c=11.709(4)Å

α=90.00° β=90.00° γ=90.00°

0.25(C₁₈₄H₁₃₆O₆₄Zr₁₂)

Yan, Yong O'Connor, Alice E Kanthasamy, Gopikkaa Atkinson, George Allan, David R.Blake, Alexander J.Schröder, Martin

Journal of the American Chemical Society (2018) 140, 11 3952-3958

a=18.9366(11)Å b=18.9366(11)Å c=32.864(3)Å

α=90° β=90° γ=90°

0.25(C₁₈₄H₁₃₆O₆₄Zr₁₂)

Yan, Yong O'Connor, Alice E Kanthasamy, Gopikkaa Atkinson, George Allan, David R.Blake, Alexander J.Schröder, Martin

Journal of the American Chemical Society (2018) 140, 11 3952-3958

a=19.0375(16)Å b=19.0375(16)Å c=33.133(6)Å

α=90° β=90° γ=90°

0.25(C₁₈₄H₁₃₆O₆₄Zr₁₂)

Yan, Yong O'Connor, Alice E Kanthasamy, Gopikkaa Atkinson, George Allan, David R.Blake, Alexander J.Schröder, Martin

Journal of the American Chemical Society (2018) 140, 11 3952-3958

a=19.0410(14)Å b=19.0410(14)Å c=33.134(6)Å

α=90° β=90° γ=90°

C₈₈H₇₂Hf₆O₃₂

Yan, Yong O'Connor, Alice E Kanthasamy, Gopikkaa Atkinson, George Allan, David R.Blake, Alexander J.Schröder, Martin

Journal of the American Chemical Society (2018) 140, 11 3952-3958

a=19.3567(16)Å b=19.3567(16)Å c=32.036(4)Å

α=90° β=90° γ=90°

C₈₈H₇₂Hf₆O₃₂

Yan, Yong O'Connor, Alice E Kanthasamy, Gopikkaa Atkinson, George Allan, David R.Blake, Alexander J.Schröder, Martin

Journal of the American Chemical Society (2018) 140, 11 3952-3958

a=19.1867(13)Å b=19.1867(13)Å c=32.543(3)Å

α=90° β=90° γ=90°

2(C₅H₅ClN)_,Cl₄Co

Guillermo Mínguez Espallargas Lee Brammer David R. Allan Colin R. Pulham Neil Robertson John E. Warren

Journal of the American Chemical Society (2008) 130, 9058-9071

a=16.4930(7)Å b=7.2802(3)Å c=13.8389(6)Å

α=90.00° β=100.550(3)° γ=90.00°

2(C₅H₅ClN)_,Br₄Co

Guillermo Mínguez Espallargas Lee Brammer David R. Allan Colin R. Pulham Neil Robertson John E. Warren

Journal of the American Chemical Society (2008) 130, 9058-9071

a=17.058(2)Å b=7.0335(17)Å c=13.2733(15)Å

α=90.00° β=101.103(9)° γ=90.00°

(C₆H₄N₆O₄Zn₁)nn_2.83

Hobday, Claire L.Bennett, Thomas D.Fairen-Jimenez, David Graham, Alexander J.Morrison, Carole A.Allan, David R.Düren, Tina Moggach, Stephen A.

Journal of the American Chemical Society (2017)

a=17.0228(17)Å b=17.0228(17)Å c=17.0228(17)Å

α=90° β=90° γ=90°

C₈H₆N₄O₂Zn₁

Hobday, Claire L.Bennett, Thomas D.Fairen-Jimenez, David Graham, Alexander J.Morrison, Carole A.Allan, David R.Düren, Tina Moggach, Stephen A.

Journal of the American Chemical Society (2017)

a=16.9380(11)Å b=16.9380(11)Å c=16.9380(11)Å

α=90° β=90° γ=90°

(C₈H₆N₄O₂Zn)nn₅(CH₃OH)

Hobday, Claire L.Bennett, Thomas D.Fairen-Jimenez, David Graham, Alexander J.Morrison, Carole A.Allan, David R.Düren, Tina Moggach, Stephen A.

Journal of the American Chemical Society (2017)

a=17.2510(17)Å b=17.2510(17)Å c=17.2510(17)Å

α=90° β=90° γ=90°

C₆₀H₃₂In₂O_162,C₂NH_8,(H₃O)_,4(C₃H₇NO)_,5(H₂O)

Sihai Yang Gregory S. B. Martin Jeremy J. Titman Alexander J. Blake David R. Allan Neil R. Champness Martin Schröder

Inorganic Chemistry (2011) 50, 9374-9384

a=9.8480(2)Å b=9.8480(2)Å c=35.0588(14)Å

α=90.00° β=90.00° γ=90.00°

C₆₀H₃₂In₂O_162,Li_1.21.2,(H₃O)_0.80.8,14(H₂O)

Sihai Yang Gregory S. B. Martin Jeremy J. Titman Alexander J. Blake David R. Allan Neil R. Champness Martin Schröder

Inorganic Chemistry (2011) 50, 9374-9384

a=9.892(10)Å b=9.617(9)Å c=35.11(3)Å

α=90.00° β=90.544(17)° γ=90.00°

C₃₄H₁₈InO_8,C₂H₈N_,2(C₃H₇NO)_,2.5(H₂O)

Sihai Yang Gregory S. B. Martin Jeremy J. Titman Alexander J. Blake David R. Allan Neil R. Champness Martin Schröder

Inorganic Chemistry (2011) 50, 9374-9384

a=45.040(5)Å b=9.7592(10)Å c=9.9522(10)Å

α=90.00° β=102.486(2)° γ=90.00°

C₆₈H₃₆In₂O_162,1.4Li_1.40.6(H₃O)_0.6,4(C₃H₆O)_,11(H₂O)

Sihai Yang Gregory S. B. Martin Jeremy J. Titman Alexander J. Blake David R. Allan Neil R. Champness Martin Schröder

Inorganic Chemistry (2011) 50, 9374-9384

a=45.20(2)Å b=9.738(5)Å c=9.944(3)Å

α=90.00° β=102.053(19)° γ=90.00°

MFM-300 (Ga2) Original

0.25(C₆₄H₃₂Ga₈O₄₀)_,2(O₂)_,0.78(C₆H₁₄N₂O₂)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=15.1675(9)Å b=15.1675(9)Å c=11.9197(15)Å

α=90.00° β=90.00° γ=90.00°

MFM-300 (Ga2) Desolvated

0.25(C₆₄H₃₂Ga₈O₄₀)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=15.0174(7)Å b=15.0174(7)Å c=11.9111(11)Å

α=90.00° β=90.00° γ=90.00°

MFM-300 (Ga2) 2.21CO2

0.25(C₆₄H₃₂Ga₈O₄₀)_,2.21(CO₂)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=15.0535(6)Å b=15.0535(6)Å c=11.8737(10)Å

α=90° β=90° γ=90°

MFM-300 (Ga1.9Fe0.1) Original

0.25(C₆₄H₃₂Fe_0.4Ga_7.6O₄₀)_,1.57(O₂)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=14.932(9)Å b=14.932(9)Å c=11.956(10)Å

α=90.00° β=90.00° γ=90.00°

MFM-300 (Ga1.9Fe0.1) Desolvated

0.25(C₆₄H₃₂Fe_0.4Ga_7.6O₄₀)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=14.896(6)Å b=14.896(6)Å c=11.939(7)Å

α=90.00° β=90.00° γ=90.00°

MFM-300 (Ga1.9Fe0.1) 2.07CO2

0.25(C₆₄H₃₂Fe_0.4Ga_7.6O₄₀)_,2.07(CO₂)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=14.924(8)Å b=14.924(8)Å c=11.929(9)Å

α=90° β=90° γ=90°

0.5(C₉₆H₆₀Fe₁₂O₇₂)

Krap, Cristina P.Newby, Ruth Dhakshinamoorthy, Amarajothi García, Hermenegildo Cebula, Izabela Easun, Timothy L.Savage, Mathew Eyley, Jennifer E.Gao, Shan Blake, Alexander J.Lewis, William Beton, Peter H.Warren, Mark R.Allan, David R.Frogley, Mark D.Tang, Chiu C.Cinque, Gianfelice Yang, Sihai Schröder, Martin

Inorganic chemistry (2016) 55, 3 1076-1088

a=10.5869(2)Å b=19.5108(4)Å c=11.8159(2)Å

α=90° β=90° γ=90°

Lawsonite

Al₂CaH₄O₁₀Si₂

Pawley, A. R.Allan, D. R.

Mineralogical Magazine (2001) 65, 41-58

a=5.849Å b=8.790Å c=13.132Å

α=90° β=90° γ=90°

Lawsonite

Al₂CaH₄O₁₀Si₂

Pawley, A. R.Allan, D. R.

Mineralogical Magazine (2001) 65, 41-58

a=5.714Å b=8.592Å c=12.871Å

α=90° β=90° γ=90°

Lawsonite

Al₂CaH₄O₁₀Si₂

Pawley, A. R.Allan, D. R.

Mineralogical Magazine (2001) 65, 41-58

a=5.197Å b=12.863Å c=5.681Å

α=90° β=124.48° γ=90°

KO₅PTi

Allan, D. R.Nelmes, R. J.

Journal of Physics: Condensed Matter (1996) 8, 2337-2363

a=12.490Å b=6.324Å c=10.069Å

α=90° β=90° γ=90°

KO₅PTi

Allan, D. R.Nelmes, R. J.

Journal of Physics: Condensed Matter (1996) 8, 2337-2363

a=12.387Å b=6.311Å c=9.966Å

α=90° β=90° γ=90°

Lawsonite

Al₂CaH₄O₁₀Si₂

Pawley, A. R.Allan, D. R.

Mineralogical Magazine (2001) 65, 41-58

a=5.178Å b=12.787Å c=5.634Å

α=90° β=124.67° γ=90°