Structures published

Total: 128

C₁₄H₁₀BrNO₂

Calatrava-Pérez, Elena Acherman, Stefan Stricker, Lucas McManus, Gavin Delente, Jason Lynes, Amy D.Henwood, Adam F.Lovitt, June I.Hawes, Chris S.Byrne, Kevin Schmitt, Wolfgang Kotova, Oxana Gunnlaugsson, Thorfinnur Scanlan, Eoin M.

Organic & biomolecular chemistry (2020) 18, 18 3475-3480

a=13.7872(9)Å b=11.4491(7)Å c=7.3967(5)Å

α=90° β=101.273(3)° γ=90°

C₂₀H₂₂BrNO₂

Organic & biomolecular chemistry (2020) 18, 18 3475-3480

a=4.6972(2)Å b=11.9618(5)Å c=15.7954(7)Å

α=81.534(3)° β=86.654(4)° γ=84.890(3)°

2(C₁₆H₁₄BrNO₂)

Organic & biomolecular chemistry (2020) 18, 18 3475-3480

a=4.4247(3)Å b=16.1174(10)Å c=19.4957(13)Å

α=99.692(2)° β=94.484(2)° γ=92.775(2)°

4(C₂H₆OS)_,C₃₈H₂₆N₆O₄

Hawes, Chris S.Ó Máille, Gearóid M Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10080-10092

a=5.5946(3)Å b=11.5848(6)Å c=18.1469(9)Å

α=84.9420(10)° β=81.7040(10)° γ=88.700(2)°

6(F₁Sb_0.17)_,0.5(C₁₆₀H₁₄₄Ag₂N₁₆)

Hawes, Chris S.Ó Máille, Gearóid M Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10080-10092

a=10.7985(3)Å b=29.4144(9)Å c=25.9424(8)Å

α=90° β=90° γ=90°

C₃₈H₂₄CdN₆O₄

Hawes, Chris S.Ó Máille, Gearóid M Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10080-10092

a=13.4720(3)Å b=13.4720(3)Å c=100.2746(19)Å

α=90° β=90° γ=120°

C₁₂₀H₁₀₈N₆O₁₃Zn₄

Hawes, Chris S.Ó Máille, Gearóid M Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10080-10092

a=22.5696(8)Å b=22.7345(8)Å c=22.7582(8)Å

α=89.484(2)° β=75.944(2)° γ=87.829(2)°

C₄₀H₃₆N_4,C₇H₈

Hawes, Chris S.Ó Máille, Gearóid M Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10080-10092

a=6.259(3)Å b=10.267(5)Å c=14.832(8)Å

α=94.749(17)° β=94.10(2)° γ=102.130(17)°

C₄₀H₃₈N₂O_4,2(C₄H₉NO)

Hawes, Chris S.Ó Máille, Gearóid M Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 30 10080-10092

a=6.1199(2)Å b=11.6124(4)Å c=28.9629(9)Å

α=90° β=92.694(2)° γ=90°

Zr₆(O)₄(OH)₄(H₂O)₄(C₃₃H₁₅O₆)_4,30(C₃H₇NO)

Jin, Guanghua Sensharma, Debobroto Zhu, Nianyong Vaesen, Sebastien Schmitt, Wolfgang

Dalton transactions (Cambridge, England : 2003) (2019) 48, 41 15487-15492

a=33.102(3)Å b=33.102(3)Å c=21.711(2)Å

α=90° β=90° γ=90°

C₁₁₆H₁₅₀Br₆Mn₁₉O_52,10(C₂H₃N)_,CH₄O_,2(Br)

Chevallot-Beroux, Elodie Ako, Ayuk M.Schmitt, Wolfgang Twamley, Brendan Moran, Joseph Corinne, Boudon Ruhlmann, Laurent Mameri, Samir

Dalton transactions (Cambridge, England : 2003) (2019) 48, 15 4830-4836

a=14.5936(5)Å b=33.0583(11)Å c=17.6608(6)Å

α=90° β=92.9610(10)° γ=90°

[Mn(NCP2)2]

0.125(C₄₁₆H₂₄₀Mn₈N₆₄O₃₂)

Setter, Caitlin J.Price, Michael B.Conte, Luke Schmitt, Wolfgang Batten, Stuart R.Richardson, Christopher Hill, Matthew R.Babarao, Ravichandar Macreadie, Lauren K.

Chemical communications (Cambridge, England) (2020) 56, 87 13377-13380

a=17.6218(16)Å b=36.0338(19)Å c=50.356(2)Å

α=90° β=90° γ=90°

[Zn(NCP2)2(O2CH)2]

C₅₄H₃₂N₈O₈Zn₂

Setter, Caitlin J.Price, Michael B.Conte, Luke Schmitt, Wolfgang Batten, Stuart R.Richardson, Christopher Hill, Matthew R.Babarao, Ravichandar Macreadie, Lauren K.

Chemical communications (Cambridge, England) (2020) 56, 87 13377-13380

a=8.4030(17)Å b=24.858(5)Å c=33.616(7)Å

α=90° β=90° γ=90°

C₆₂H₃₃CoF₃N₁₂O₈Ru

Schmitt, Wolfgang Martins, Luana Macreadie, Lauren Sensharma, Debobroto Vaesen, Sebastien Zhang, Xia Gough, John O'Doherty, Mariah Zhu, Nianyong Ruether, Manuel O'Brien, John E Bradley, A. Louise

Chemical Communications (2019)

a=26.645(4)Å b=26.645(4)Å c=10.542(2)Å

α=90° β=90° γ=120°

C₅₀H₃₀CdN₄O_10,1.5(C₂H₃N)

Hawes, Chris S.Lynes, Amy D.Byrne, Kevin Schmitt, Wolfgang Ryan, Gavin Möbius, Matthias E.Gunnlaugsson, Thorfinnur

Chem. Commun. (2017)

a=4.57350(10)Å b=17.4178(4)Å c=27.7382(7)Å

α=101.062(2)° β=93.619(2)° γ=90.377(2)°

C₅₀H₃₀CdN₄O₁₀

Hawes, Chris S.Lynes, Amy D.Byrne, Kevin Schmitt, Wolfgang Ryan, Gavin Möbius, Matthias E.Gunnlaugsson, Thorfinnur

Chem. Commun. (2017)

a=4.6567(2)Å b=15.5275(5)Å c=17.3063(6)Å

α=66.4860(10)° β=85.011(2)° γ=82.452(2)°

C₄₁H₈₆Cu₇Mo₇N₂O₄₅P_6,2(C₁₆H₃₆N)

Schmitt, Wolfgang Healy, Colm Twamley, Brendan Venkatesan, M.Schmidt, Sebastian Gunnlaugsson, Thorfinnur

Chem. Commun. (2017)

a=18.3636(14)Å b=35.236(3)Å c=18.6488(14)Å

α=90° β=92.9173(13)° γ=90°

C₃₀H₆₂Cu₄Mo₆N₂O₃₅P_4,2(C₁₆H₃₆N)_,2(CH₃OH)_,H₂O

Schmitt, Wolfgang Healy, Colm Twamley, Brendan Venkatesan, M.Schmidt, Sebastian Gunnlaugsson, Thorfinnur

Chem. Commun. (2017)

a=33.787(3)Å b=13.6491(10)Å c=22.4826(16)Å

α=90° β=105.0681(13)° γ=90°

C₃₁H₄₅FeNO₁₁

McKeogh, Ian Hill, Jonathan P.Collins, Emily S.McCabe, Thomas Powell, Annie K.Schmitt, Wolfgang

New Journal of Chemistry (2007) 31, 11 1882

a=44.988(18)Å b=9.206(4)Å c=16.552(6)Å

α=90.00° β=108.938(7)° γ=90.00°

C₄₅H₂₈CdN₆O_6,C₃H₇NO

Sensharma, Debobroto Wix, Paul Kathalikkattil, Amal Cherian Schmitt, Wolfgang

CrystEngComm (2018) 20, 35 5127

a=16.281(3)Å b=17.516(3)Å c=30.291(4)Å

α=90° β=100.546(3)° γ=90°

Catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-zinc(II)-N,N-dimethylformamide solvate]

C₄₅H₂₈N₆O₆Zn_,C₃H₇NO

Sensharma, Debobroto Wix, Paul Kathalikkattil, Amal Cherian Schmitt, Wolfgang

CrystEngComm (2018) 20, 35 5127

a=33.908(2)Å b=17.5051(13)Å c=15.7559(13)Å

α=90° β=115.591(5)° γ=90°

Catena-[(2,4,6-tri(pyridin-2-yl)-1,3,5-triazine)-(μ~5~-hydrogen benzene-1,3,5-tris(4-benzoato))]-manganese(II)-N,N-dimethylformamide solvate]

C₄₅H₂₈MnN₆O_6,1.25(C₃H₇NO)

Sensharma, Debobroto Wix, Paul Kathalikkattil, Amal Cherian Schmitt, Wolfgang

CrystEngComm (2018) 20, 35 5127

a=16.2604(6)Å b=17.3810(6)Å c=30.3417(10)Å

α=90° β=101.280(2)° γ=90°

C₄₅H₂₈N_1.82Ni_0.3O_3.79,N_4.18Ni_0.7O_2.21,C_2.10H_4.90N_0.7O_0.7

Sensharma, Debobroto Wix, Paul Kathalikkattil, Amal Cherian Schmitt, Wolfgang

CrystEngComm (2018) 20, 35 5127

a=34.7205(18)Å b=17.3089(6)Å c=15.8202(7)Å

α=90° β=115.923(2)° γ=90°

C₆₄H₁₁₈N₆Na₆O₈₂P₈V₁₀

Mariyatra B. Mahimaidoss Sergey A. Krasnikov Lukas Reck Camelia I. Onet John M. Breen Nianyong Zhu Bartosz Marzec Igor V. Shvets Wolfgang Schmitt

Chem.Commun. (2014) 50, 2265

a=12.144(3)Å b=12.144(3)Å c=49.317(18)Å

α=90° β=90° γ=90°

C₆₆H₃₆Cu₃O₁₅

Nianyong Zhu Matthew J. Lennox Tina Duren Wolfgang Schmitt

Chem.Commun. (2014) 50, 4207

a=71.400(8)Å b=42.999(4)Å c=42.569(4)Å

α=90° β=126.08(2)° γ=90°

C₆₆H₃₆Cu₃O₁₅

Nianyong Zhu Matthew J. Lennox Tina Duren Wolfgang Schmitt

Chem.Commun. (2014) 50, 4207

a=47.493(2)Å b=51.7515(19)Å c=32.9674(14)Å

α=90° β=92.690(4)° γ=90°

TCM-9

C₃₆H₃₀HoNO₁₁

Gerard Tobin Steve Comby Nianyong Zhu Rodolphe Clerac Thorfinnur Gunnlaugsson Wolfgang Schmitt

Chem.Commun. (2015) 51, 13313

a=21.403(6)Å b=34.255(9)Å c=8.023(2)Å

α=90° β=90° γ=90°

C₂₂H₂₉Co₂N₃O₁₅

Walsh, David P.Clérac, Rodolphe Hearns, Nigel G. R.Kruger, Paul E.Schmitt, Wolfgang

CrystEngComm (2009) 11, 8 1666

a=10.1987(7)Å b=12.1765(8)Å c=12.6676(8)Å

α=103.8970(10)° β=105.9730(10)° γ=107.5480(10)°

C₂₂H₂₉N₃Ni₂O₁₅

Walsh, David P.Clérac, Rodolphe Hearns, Nigel G. R.Kruger, Paul E.Schmitt, Wolfgang

CrystEngComm (2009) 11, 8 1666

a=10.0968(10)Å b=12.1101(12)Å c=12.5860(13)Å

α=103.193(2)° β=106.046(2)° γ=107.178(2)°

C₂₂H₁₇CuN₃O₈

Walsh, David P.Clérac, Rodolphe Hearns, Nigel G. R.Kruger, Paul E.Schmitt, Wolfgang

CrystEngComm (2009) 11, 8 1666

a=14.0403(8)Å b=9.0493(5)Å c=17.2277(10)Å

α=90.00° β=106.9620(10)° γ=90.00°

C₁₅H₁₄CuKNO₆

Spina, Giuseppe La Clérac, Rodolphe Collins, Emily S.McCabe, Thomas Venkatesan, Munuswamy Ichinose, Izumi Schmitt, Wolfgang

Dalton Transactions (2007) 45 5248

a=30.736(2)Å b=30.736(2)Å c=8.7792(13)Å

α=90.00° β=90.00° γ=120.00°

C₁₈H₁₉CuK₂NO₁₁

Spina, Giuseppe La Clérac, Rodolphe Collins, Emily S.McCabe, Thomas Venkatesan, Munuswamy Ichinose, Izumi Schmitt, Wolfgang

Dalton Transactions (2007) 45 5248

a=8.7578(17)Å b=11.143(2)Å c=12.529(2)Å

α=84.479(4)° β=81.501(4)° γ=71.648(4)°

C₂₅H₂₃MnN₄O_7,C₂H₃N

Ako, Ayuk M.Hawes, Chris S.Twamley, Brendan Schmitt, Wolfgang

CrystEngComm (2017) 19, 6 994

a=13.4938(4)Å b=8.7231(3)Å c=22.5819(6)Å

α=90° β=95.3654(11)° γ=90°

C₁₀H₁₂MnN₆O_8,2(C₂H₃N)

Ako, Ayuk M.Hawes, Chris S.Twamley, Brendan Schmitt, Wolfgang

CrystEngComm (2017) 19, 6 994

a=7.4909(2)Å b=11.8073(4)Å c=24.3162(8)Å

α=90° β=90° γ=90°

C₂₄H₁₆Ag₂MnN₁₂

Ako, Ayuk M.Hawes, Chris S.Twamley, Brendan Schmitt, Wolfgang

CrystEngComm (2017) 19, 6 994

a=9.1567(4)Å b=10.5450(5)Å c=14.0966(6)Å

α=90° β=97.5786(7)° γ=90°

C₃₀H₄₅N₃O₉

Lynes, Amy D.Hawes, Chris S.Ward, Edward N.Haffner, Benjamin Möbius, Matthias E.Byrne, Kevin Schmitt, Wolfgang Pal, Robert Gunnlaugsson, Thorfinnur

CrystEngComm (2017) 19, 10 1427

a=19.627(2)Å b=7.3150(10)Å c=23.510(3)Å

α=90° β=114.567(8)° γ=90°

0.5(C₅₄H₇₈N₆O₁₈)

Lynes, Amy D.Hawes, Chris S.Ward, Edward N.Haffner, Benjamin Möbius, Matthias E.Byrne, Kevin Schmitt, Wolfgang Pal, Robert Gunnlaugsson, Thorfinnur

CrystEngComm (2017) 19, 10 1427

a=15.5682(6)Å b=15.5682(6)Å c=6.8268(3)Å

α=90° β=90° γ=120°

C₂₁H₂₇N₃O₉

Lynes, Amy D.Hawes, Chris S.Ward, Edward N.Haffner, Benjamin Möbius, Matthias E.Byrne, Kevin Schmitt, Wolfgang Pal, Robert Gunnlaugsson, Thorfinnur

CrystEngComm (2017) 19, 10 1427

a=4.9042(2)Å b=16.9098(6)Å c=17.0515(7)Å

α=77.472(3)° β=87.209(4)° γ=83.111(3)°

C₁₂₀H₁₂₆Cl₈Mn₁₈N₆O₄₄Sr_1,7(CH₄O)

Chevallot-Beroux, Elodie Ako, Ayuk M.Schmitt, Wolfgang Twamley, Brendan Moran, Joseph Corinne, Boudon Ruhlmann, Laurent Mameri, Samir

Dalton transactions (Cambridge, England : 2003) (2019) 48, 15 4830-4836

a=20.6642(8)Å b=20.6642(8)Å c=35.2511(15)Å

α=90° β=90° γ=120°

C₅₆H₁₂₂N₆Na₆O₈₄P₈V₁₀

Mariyatra B. Mahimaidoss Sergey A. Krasnikov Lukas Reck Camelia I. Onet John M. Breen Nianyong Zhu Bartosz Marzec Igor V. Shvets Wolfgang Schmitt

Chem.Commun. (2014) 50, 2265

a=12.4314(6)Å b=12.4314(6)Å c=43.467(4)Å

α=90° β=90° γ=90°

C₂₄H₃₃N₃O_9,5(H₂O)

Lynes, Amy D.Hawes, Chris S.Ward, Edward N.Haffner, Benjamin Möbius, Matthias E.Byrne, Kevin Schmitt, Wolfgang Pal, Robert Gunnlaugsson, Thorfinnur

CrystEngComm (2017) 19, 10 1427

a=24.6517(13)Å b=4.7182(3)Å c=25.6558(12)Å

α=90° β=96.827(4)° γ=90°

C₁₈H₂₁N₃O_9,H_0.67O_0.33,0.17(O)

Lynes, Amy D.Hawes, Chris S.Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 15 5259-5268

a=13.0286(4)Å b=6.9850(2)Å c=22.2051(6)Å

α=90° β=93.3610(10)° γ=90°

C₃₃H₃₇Cd₃N₇O_22,5(H₂O)

Lynes, Amy D.Hawes, Chris S.Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 15 5259-5268

a=15.0689(6)Å b=22.3544(9)Å c=14.3047(6)Å

α=90° β=109.6750(10)° γ=90°

C₇₂H₆₀Cd₃N₈O_19.85,2(H₂O)_,0.5(O)_,2.35(C₃H₇NO)

Lynes, Amy D.Hawes, Chris S.Byrne, Kevin Schmitt, Wolfgang Gunnlaugsson, Thorfinnur

Dalton transactions (Cambridge, England : 2003) (2018) 47, 15 5259-5268

a=9.3062(3)Å b=20.1158(6)Å c=22.2589(7)Å

α=101.9120(10)° β=101.2140(10)° γ=98.7420(10)°