Crystallography Open Database

Result : There are 239 entries in the selection

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Searching journal of publication like 'Faraday Discussions'

COD ID: 1501627
CIF file Formula: - C30 H40 In N3 O14 -
Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19
Space group: P 42/m m c
Cell volume: 2645.12
Cell parameters: 9.9532; 9.9532; 26.7005; 90; 90; 90;  

COD ID: 1501628
CIF file Formula: - C32 H38 In N3 O12 -
Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19
Space group: P 42/m m c
Cell volume: 2654.3
Cell parameters: 9.9617; 9.9617; 26.747; 90; 90; 90;  

COD ID: 1501629
CIF file Formula: - C30 H36 F4 In N3 O14 -
Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19
Space group: I 41/a c d :2
Cell volume: 20971
Cell parameters: 19.807; 19.807; 53.454; 90; 90; 90;  

COD ID: 1501630
CIF file Formula: - C34 H36 In N3 O12 -
Comments: Yang, Sihai; Callear, Samantha K.; Ramirez-Cuesta, Anibal J.; David, William I. F.; Sun, Junliang; Blake, Alexander J.; Champness, Neil R.; Schröder, Martin Pore with gate: modulating hydrogen storage in metal-organic framework materials via cation exchange Faraday Discussions 151 (2011) 19
Space group: P 42/m m c
Cell volume: 2654.3
Cell parameters: 9.9617; 9.9617; 26.747; 90; 90; 90;  

COD ID: 1501645
CIF file Formula: - C17 H28 Cl Co N5 O7 P -
Comments: Lakadamyali, Fezile; Kato, Masaru; Reisner, Erwin Colloidal metal oxide particles loaded with synthetic catalysts for solar H2 production Faraday Discussions 155 (2012) 191
Space group: P 1 21/n 1
Cell volume: 2276.8
Cell parameters: 8.2787; 12.8802; 21.4315; 90; 94.937; 90;  

COD ID: 1501646
CIF file Formula: - C26 H20 Cl N O4 -
Comments: Kotani, Hiroaki; Ohkubo, Kei; Fukuzumi, Shunichi Formation of a long-lived electron-transfer state of a naphthalene‒quinolinium ion dyad and the π-dimer radical cation Faraday Discussions 155 (2012) 89
Space group: P 21 21 21
Cell volume: 2078.3
Cell parameters: 9.2173; 9.9916; 22.5665; 90; 90; 90;  

COD ID: 1507206
CIF file Formula: - C13 H19 N O5 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: P 1 21/c 1
Cell volume: 1273.91
Cell parameters: 12.0463; 9.4802; 11.8853; 90; 110.191; 90;  

COD ID: 1507207
CIF file Formula: - C17 H23 N O3 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: P -1
Cell volume: 761.99
Cell parameters: 6.708; 9.3067; 12.7864; 80.421; 76.338; 82.988;  

COD ID: 1507208
CIF file Formula: - C17 H23 N O2 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: P 1 21/n 1
Cell volume: 1474
Cell parameters: 10.808; 6.5508; 21.104; 90; 99.42; 90;  

COD ID: 1507209
CIF file Formula: - C17 H23 N O4 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: P 1 21/n 1
Cell volume: 1511
Cell parameters: 12.157; 6.9992; 17.778; 90; 92.728; 90;  

COD ID: 1507210
CIF file Formula: - C13 H19 N O3 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: C 1 2/c 1
Cell volume: 2526
Cell parameters: 19.76; 11.178; 11.485; 90; 95.28; 90;  

COD ID: 1507211
CIF file Formula: - C14 H23 N O4 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: P 1 21/n 1
Cell volume: 1396.5
Cell parameters: 10.165; 12.302; 11.254; 90; 97.111; 90;  

COD ID: 1507212
CIF file Formula: - C13 H19 N O4 -
Comments: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R. Protic pharmaceutical ionic liquids and solids: Aspects of protonics Faraday Discussions 154 (2012) 335
Space group: P 1 21/c 1
Cell volume: 1268.8
Cell parameters: 11.668; 9.365; 12.161; 90; 107.29; 90;  

COD ID: 1515891
CIF file Formula: - C201 H189 Cl18 F12 N8 O20 P8 Pd4 S4 -
Comments: Eastoe, Julian; Fairlamb, Ian J. S.; Fernández-Hernández, Jesús M.; Filali, Emane; Jeffery, John C.; Lloyd-Jones, Guy C.; Martorell, Aina; Meadowcroft, Antony; Norrby, Per-Ola; Riis-Johannessen, Thomas; Sale, David A.; Tomlin, Paula M. Interrogation of a dynamic multi-catalyst ensemble in asymmetric catalysis Faraday Discussions 145 (2010) 27
Space group: P 1 21/n 1
Cell volume: 12855
Cell parameters: 21.659; 23.21; 26.022; 90; 100.67; 90;  

COD ID: 1515944
CIF file Formula: - C41.5 H29.5 N3 O2.75 -
Comments: Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions 143 (2009) 205
Space group: I 41/a :2
Cell volume: 13374
Cell parameters: 28.41; 28.41; 16.57; 90; 90; 90;  

COD ID: 1515945
CIF file Formula: - C74 H39 F6 N3 O8 -
Comments: Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions 143 (2009) 205
Space group: P -1
Cell volume: 3922.9
Cell parameters: 10.7436; 15.0043; 25.7202; 81.728; 89.451; 73.073;  

COD ID: 1515946
CIF file Formula: - C46 H27 N O4 -
Comments: Colquhoun, Howard M.; Zhu, Zhixue; Cardin, Christine J.; Drew, Michael G. B.; Gan, Yu Recognition of sequence-information in synthetic copolymer chains by a conformationally-constrained tweezer molecule Faraday Discussions 143 (2009) 205
Space group: I b a 2
Cell volume: 3108.17
Cell parameters: 12.7723; 16.8766; 14.4195; 90; 90; 90;  

COD ID: 1516479
CIF file Formula: - C9 H8 O4 -
Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379
Space group: P 1 21/c 1
Cell volume: 821.2
Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90;  

COD ID: 1516480
CIF file Formula: - C9 H8 O4 -
Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379
Space group: P 1 21/c 1
Cell volume: 821.2
Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90;  

COD ID: 1516481
CIF file Formula: - C9 H8 O4 -
Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379
Space group: P 1 21/c 1
Cell volume: 821.2
Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90;  

COD ID: 1516482
CIF file Formula: - C9 H8 O4 -
Comments: Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas In situ neutron diffraction studies of single crystals and powders during microwave irradiation Faraday Discussions 122 (2003) 363-379
Space group: P 1 21/c 1
Cell volume: 821.2
Cell parameters: 11.233; 6.544; 11.231; 90; 95.89; 90;  

COD ID: 1516609
CIF file Formula: - C28 H18 F10 Ir N6 P -
Comments: Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions 174 (2014) 165-182
Space group: C 1 2/c 1
Cell volume: 6392
Cell parameters: 25.778; 15.759; 16.308; 90; 105.245; 90;  

COD ID: 1516610
CIF file Formula: - C36 H24 F10 Ir N6 P -
Comments: Henwood, Adam F.; Evariste, Sloane; Slawin, Alexandra M. Z.; Zysman-Colman, Eli Rigid biimidazole ancillary ligands as an avenue to bright deep blue cationic iridium(iii) complexes. Faraday discussions 174 (2014) 165-182
Space group: P -1
Cell volume: 1595.8
Cell parameters: 9.1029; 12.8618; 15.38; 69.58; 88.64; 71.81;  

COD ID: 1516728
CIF file Formula: - C17 H14 Cu2 I2 N P -
Comments: Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions 170 (2014) 93-107
Space group: P -1
Cell volume: 953.05
Cell parameters: 7.9805; 8.5298; 14.3667; 78.092; 85.576; 86.494;  

COD ID: 1516729
CIF file Formula: - C51 H42 Cu I N3 P3 -
Comments: Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions 170 (2014) 93-107
Space group: P -3
Cell volume: 2377.42
Cell parameters: 13.64705; 13.64705; 14.73999; 90; 90; 120;  

COD ID: 1516730
CIF file Formula: - C34 H28 Cu4 I4 N2 P2 -
Comments: Maini, Lucia; Mazzeo, Paolo P.; Farinella, Francesco; Fattori, Valeria; Braga, Dario Mechanochemical preparation of copper iodide clusters of interest for luminescent devices. Faraday discussions 170 (2014) 93-107
Space group: P 1 21/c 1
Cell volume: 3772.75
Cell parameters: 16.7222; 13.9164; 16.4466; 90; 99.688; 90;  

COD ID: 1517077
CIF file Formula: - C270.75 H371 Cd18 Cl8 N18 O105.92 Tb6 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014)
Space group: P -3
Cell volume: 55122
Cell parameters: 51.114; 51.114; 24.362; 90; 90; 120;  

COD ID: 1517078
CIF file Formula: - C360 H464 Cd24 Ho8 N24 O144 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014)
Space group: F d d d :2
Cell volume: 272542
Cell parameters: 54.777; 62.244; 79.935; 90; 90; 90;  

COD ID: 1517079
CIF file Formula: - C268.5 H369.5 Cd18 Cl10 Lu6 N18 O101.5 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014)
Space group: C 1 2/c 1
Cell volume: 41618
Cell parameters: 41.871; 22.803; 47.322; 90; 112.91; 90;  

COD ID: 1517080
CIF file Formula: - C273.75 H384.5 Cd18 Cl8 Eu6 N18 O109.67 -
Comments: Jones, Richard A.; Gnanam, Annie J.; Arambula, Jonathan; Jones, Jessica N.; Swaminathan, Jagannath; yang, xiao ping; Schipper, Desmond; Hall, Justin Walker; DePue, Lauren J.; Marcotte, Edward; Sessler, Jonathan; Ehrlich, Lauren I.; Brown, Katherine A.; Dieye, Yahkya; Vadivelu, Jamuna; Chandler, Don J. FD175: Lanthanide Nano-drums: A New Class of Molecular Nanoparticles for Potential Biomedical Applications Faraday Discussions (2014)
Space group: P -3
Cell volume: 55660
Cell parameters: 51.304; 51.304; 24.418; 90; 90; 120;  

COD ID: 1517984
CIF file Formula: - C12 H9 B F4 I N O2 -
Comments: Stevenson, K. J.; Veneman, P. A.; Gearba, R. I.; Mueller, K. M.; Holliday, B. J.; Ohta, T.; Chan, C. K. Controlled covalent modification of epitaxial single layer graphene on 6H-SiC (0001) with aryliodonium salts using electrochemical methods. Faraday discussions 172 (2014) 273-291
Space group: C 1 2/c 1
Cell volume: 2738
Cell parameters: 16.725; 10.562; 16.707; 90; 111.932; 90;  

COD ID: 1518122
CIF file Formula: - C28 H39 Br O4 -
Comments: Ghiggino, Kenneth P.; Tilley, Andrew J.; Robotham, Benjamin; White, Jonathan M. Excited state dynamics of organic semi-conducting materials. Faraday discussions 177 (2015) 111-119
Space group: P 1 21/c 1
Cell volume: 2657.1
Cell parameters: 9.3571; 16.7917; 17.242; 90; 101.238; 90;  

COD ID: 1518310
CIF file Formula: - C12 H28 Ba3 O26 -
Comments: Boon, Matthew P.; Freeman, Sandra; Ogden, Mark I.; Oliveira, Allan; Richmond, William R.; Skelton, Brian W.; Jones, Franca The many roles of mellitic acid during barium sulfate crystallization. Faraday discussions 179 (2015) 343-357
Space group: I 1 2/a 1
Cell volume: 6008.7
Cell parameters: 13.4109; 16.2568; 27.9028; 90; 98.984; 90;  

COD ID: 1518369
CIF file Formula: - C129 H67 Cl12 N -
Comments: Kratzer, Andreas; Englert, Jan M.; Lungerich, Dominik; Heinemann, Frank W.; Jux, Norbert; Hirsch, Andreas Synthesis and first X-ray structure of a hexa-peri-hexabenzocoronene-fullerene-dyad: a model for an inter-carbon-allotrope hybrid. Faraday discussions 173 (2014) 297-310
Space group: P 1 21/n 1
Cell volume: 9266.3
Cell parameters: 17.6085; 14.6572; 36.079; 90; 95.66; 90;  

COD ID: 1518370
CIF file Formula: - C65 H82 Cl2 O10 -
Comments: Elsler, B.; Schollmeyer, D.; Waldvogel, S. R. Synthesis of iodobiaryls and dibenzofurans by direct coupling at BDD anodes. Faraday discussions 172 (2014) 413-420
Space group: C 1 2/c 1
Cell volume: 5998.8
Cell parameters: 27.352; 10.715; 24.122; 90; 121.948; 90;  

COD ID: 1518537
CIF file Formula: - C22 H23 Cl3 N4 O2 -
Comments: Fours, Baptiste; Cartigny, Yohann; Petit, Samuel; Coquerel, Gérard Formation of new polymorphs without any nucleation step. Desolvation of the rimonabant monohydrate: directional crystallisation concomitant to smooth dehydration. Faraday discussions 179 (2015) 475-488
Space group: P -1
Cell volume: 2394.5
Cell parameters: 7.4245; 13.2237; 24.7183; 96.898; 96.177; 90.664;  

COD ID: 1520499
CIF file Formula: - C37.35 H42.46 Cl2 N6 O3.88 Ru -
Comments: Tong, Lianpeng; Zong, Ruifa; Zhou, Rongwei; Kaveevivitchai, Nattawut; Zhang, Gang; Thummel, Randolph P. Ruthenium catalysts for water oxidation involving tetradentate polypyridine-type ligands. Faraday discussions 185 (2015) 87-104
Space group: P -1
Cell volume: 1840.52
Cell parameters: 10.4996; 13.3012; 13.4802; 80.434; 82.981; 86.221;  

COD ID: 1520961
CIF file Formula: - C45 H27 B Cl8 F8 Ir N4 -
Comments: Monti, Filippo; Baschieri, Andrea; Matteucci, Elia; Mazzanti, Andrea; Sambri, Letizia; Barbieri, Andrea; Armaroli, Nicola A chelating diisocyanide ligand for cyclometalated Ir(iii) complexes with strong and tunable luminescence. Faraday discussions 185 (2015) 233-248
Space group: P 1 21/n 1
Cell volume: 5078.5
Cell parameters: 9.2828; 22.6451; 24.351; 90; 97.192; 90;  

COD ID: 1540587
CIF file Formula: - Co2.581 F6 Mn0.419 O6 Sb4 -
Comments: Svengren, H.; Torapava, N.; Athanassiadis, I.; Ali, S. I.; Johnsson, M. A transition metal oxofluoride offering advantages in electrocatalysis and potential use in applications. Faraday discussions 188 (2016) 481-498
Space group: I -4 3 m
Cell volume: 547.524
Cell parameters: 8.1809; 8.1809; 8.1809; 90; 90; 90;  

COD ID: 1542986
CIF file Formula: - C342 H428 Cd24 Cl7 N24 Nd8 O128 -
Comments: Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions 191 (2016) 465
Space group: P n a 21
Cell volume: 53277
Cell parameters: 54.734; 27.619; 35.243; 90; 90; 90;  

COD ID: 1542987
CIF file Formula: - C342 H428 Cd24 Cl7 N24 O128 Tb8 -
Comments: Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions 191 (2016) 465
Space group: P n a 21
Cell volume: 51189
Cell parameters: 54.106; 27.127; 34.876; 90; 90; 90;  

COD ID: 1542988
CIF file Formula: - C56 H50 Br4 N8 Nd2 Ni4 O51.5 -
Comments: Yang, Xiaoping; Wang, Shiqing; King, Tyler L.; Kerr, Christopher J.; Blanchet, Clement; Svergun, Dmitri; Pal, Robert; Beeby, Andrew; Vadivelu, Jamuna; Brown, Katherine A.; Jones, Richard A.; Zhang, Lijie; Huang, Shaoming Anisotropic lanthanide-based nano-clusters for imaging applications. Faraday discussions 191 (2016) 465
Space group: P 1 21/c 1
Cell volume: 5609
Cell parameters: 15.462; 19.156; 19.871; 90; 107.63; 90;  

COD ID: 1543715
CIF file Formula: - C16 H15 Au Cl N O -
Comments: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions 196 (2017) 269-283
Space group: P 1 21/c 1
Cell volume: 1512.75
Cell parameters: 10.0233; 7.3836; 20.4729; 90; 93.2347; 90;  

COD ID: 1543716
CIF file Formula: - C17 H17 Au Cl N O -
Comments: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions 196 (2017) 269-283
Space group: P -1
Cell volume: 1617.15
Cell parameters: 10.2724; 13.7308; 14.1704; 61.476; 71; 69.885;  

COD ID: 1543717
CIF file Formula: - C18 H19 Au Cl N O -
Comments: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions 196 (2017) 269-283
Space group: P 1 21/c 1
Cell volume: 1709.7
Cell parameters: 35.545; 7.0033; 6.8729; 90; 92.118; 90;  

COD ID: 1543718
CIF file Formula: - C19 H21 Au Cl N O -
Comments: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions 196 (2017) 269-283
Space group: C 1 2/c 1
Cell volume: 3676.3
Cell parameters: 76.128; 7.0364; 6.8648; 90; 91.305; 90;  

COD ID: 1543719
CIF file Formula: - C20 H23 Au Cl N O -
Comments: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions 196 (2017) 269-283
Space group: C 1 2/c 1
Cell volume: 3814.5
Cell parameters: 78.931; 7.0341; 6.8739; 90; 91.828; 90;  

COD ID: 1543720
CIF file Formula: - C21 H25 Au Cl N O -
Comments: Yamada, Shigeyuki; Rokusha, Yuki; Kawano, Ryo; Fujisawa, Kaori; Tsutsumi, Osamu Mesogenic gold complexes showing aggregation-induced enhancement of phosphorescence in both crystalline and liquid-crystalline phases. Faraday discussions 196 (2017) 269-283
Space group: P 1 21/c 1
Cell volume: 2071.1
Cell parameters: 42.33; 7.082; 6.912; 90; 91.738; 90;  

COD ID: 1543731
CIF file Formula: - C14 H13 N3 -
Comments: Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario Structure-activity relationship for the solid state emission of a new family of "push-pull"π-extended chromophores. Faraday discussions 196 (2017) 143-161
Space group: P -1
Cell volume: 3546.9
Cell parameters: 10.8613; 13.0319; 26.5818; 89.75; 82.163; 72.238;  

COD ID: 1543732
CIF file Formula: - C18 H14 N2 O2 -
Comments: Nitti, Andrea; Villafiorita-Monteleone, Francesca; Pacini, Aurora; Botta, Chiara; Virgili, Tersilla; Forni, Alessandra; Cariati, Elena; Boiocchi, Massimo; Pasini, Dario Structure-activity relationship for the solid state emission of a new family of "push-pull"π-extended chromophores. Faraday discussions 196 (2017) 143-161
Space group: C 1 2/c 1
Cell volume: 1535.1
Cell parameters: 17.518; 8.6661; 10.772; 90; 110.164; 90;  

COD ID: 1543746
CIF file Formula: - C35 H40 B2 O4 -
Comments: Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric Probing the nature of peripheral boryl groups within luminescent tellurophenes. Faraday discussions 196 (2017) 255-268
Space group: P -1
Cell volume: 777.24
Cell parameters: 6.3523; 8.0207; 16.3894; 92.3795; 95.9413; 110.114;  

COD ID: 1543747
CIF file Formula: - C50 H92 B2 N4 O6 Te -
Comments: Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric Probing the nature of peripheral boryl groups within luminescent tellurophenes. Faraday discussions 196 (2017) 255-268
Space group: C 1 2/c 1
Cell volume: 5549.55
Cell parameters: 18.8131; 11.1794; 26.4236; 90; 93.0441; 90;  

COD ID: 1543748
CIF file Formula: - C31 H52 B2 N2 O4 Te -
Comments: Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric Probing the nature of peripheral boryl groups within luminescent tellurophenes. Faraday discussions 196 (2017) 255-268
Space group: P 1 21/c 1
Cell volume: 3318.01
Cell parameters: 10.3086; 15.0795; 21.3795; 90; 93.2679; 90;  

COD ID: 1543754
CIF file Formula: - C32 H20 N2 -
Comments: Liu, Liqun; Wang, Kai; Deng, Jian; Zhang, Zhe; Wang, Yan; Ma, Yuguang Restorable piezochromism phenomenon in an AIE molecular crystal: combined synchronous Raman scattering. Faraday discussions 196 (2017) 415-426
Space group: C 1 2/c 1
Cell volume: 2267.7
Cell parameters: 46.53; 6.7629; 7.2639; 90; 97.22; 90;  

COD ID: 1543879
CIF file Formula: - C20 H10 F3 I3 N -
Comments: Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing Construction and function of a highly efficient supramolecular luminescent system. Faraday discussions 196 (2017) 219-229
Space group: P 1 21/c 1
Cell volume: 2042.5
Cell parameters: 8.6902; 13.87; 17.377; 90; 102.8; 90;  

COD ID: 1543880
CIF file Formula: - C40 H20 F6 I6 N2 -
Comments: Liu, Yingjie; Ma, Suqian; Xu, Bin; Tian, Wenjing Construction and function of a highly efficient supramolecular luminescent system. Faraday discussions 196 (2017) 219-229
Space group: P -1
Cell volume: 1004.5
Cell parameters: 5.142; 12.724; 16.436; 109.15; 96; 93.79;  

COD ID: 1543895
CIF file Formula: - C12 H12 N2 O3 -
Comments: Gupta, Vinod Kumar; Singh, Ram Adhar Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study. Faraday discussions 196 (2017) 131-142
Space group: P 1 21/n 1
Cell volume: 2255.4
Cell parameters: 10.531; 15.6321; 13.7351; 90; 94.071; 90;  

COD ID: 1543896
CIF file Formula: - C11 H10 N2 O2 -
Comments: Gupta, Vinod Kumar; Singh, Ram Adhar Aggregation-induced enhanced green light emission from a simple donor-π-acceptor (D-π-A) material: a structure-property relationship study. Faraday discussions 196 (2017) 131-142
Space group: P 1 21/c 1
Cell volume: 976.43
Cell parameters: 3.9225; 10.7762; 23.142; 90; 93.453; 90;  

COD ID: 1545578
CIF file Formula: - C11 H16 Br3 F N2 -
Comments: Rosokha, Sergiy V. Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding Faraday Discussions 203 (2017) 315-332
Space group: P 1 21/m 1
Cell volume: 737.12
Cell parameters: 5.6232; 22.4248; 5.8554; 90; 93.3206; 90;  

COD ID: 1545579
CIF file Formula: - C18 H24 Br12 N6 O4 -
Comments: Rosokha, Sergiy V. Electron-transfer reactions of halogenated electrophiles: a different look into the nature of halogen bonding Faraday Discussions 203 (2017) 315-332
Space group: P 1 21/c 1
Cell volume: 1708.6
Cell parameters: 14.0422; 5.9462; 20.4996; 90; 93.4347; 90;  

COD ID: 1548750
CIF file Formula: - C79.511 N0 O30.762 Pd0.546 Zr6 -
Comments: Bugaev, A. L.; Guda, Alexander A.; Lomachenko, Kirill A.; Kamyshova, Elizaveta G.; Soldatov, Mikhail A.; Kaur, Gurpreet; Øien-Ødegaard, Sigurd; Braglia, Luca; Lazzarini, Andrea; Manzoli, Maela; Bordiga, Silvia; Olsbye, Unni; Lillerud, Karl P.; Soldatov, Alexander V.; Lamberti, Carlo Operando study of palladium nanoparticles inside UiO-67 MOF for catalytic hydrogenation of hydrocarbons. Faraday discussions 208 (2018) 287-306
Space group: F m -3 m
Cell volume: 19245.8
Cell parameters: 26.79861; 26.79861; 26.79861; 90; 90; 90;  

COD ID: 1549248
CIF file Formula: - C57 H60 Cl2 N12 -
Comments: McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions (2018)
Space group: P 1 21/n 1
Cell volume: 5526
Cell parameters: 16.565; 10.745; 31.067; 90; 92.088; 90;  

COD ID: 1549249
CIF file Formula: - C65 H69 Cl3 N12 -
Comments: McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions (2018)
Space group: P 21 21 21
Cell volume: 6256
Cell parameters: 10.654; 23.151; 25.363; 90; 90; 90;  

COD ID: 1549250
CIF file Formula: - C103.75 H111.5 Cl15.5 N24 -
Comments: McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions (2018)
Space group: R 3
Cell volume: 8453.2
Cell parameters: 21.3987; 21.3987; 21.3164; 90; 90; 120;  

COD ID: 1549251
CIF file Formula: - C106 H96 Cl40 N24 -
Comments: McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions (2018)
Space group: F 2 3
Cell volume: 14433.7
Cell parameters: 24.3478; 24.3478; 24.3478; 90; 90; 90;  

COD ID: 1549252
CIF file Formula: - C107.33 H107.33 Cl33.97 N24 -
Comments: McMahon, David P.; Stephenson, Andrew; Chong, Samantha Y.; Little, Marc; Jones, James T. A.; Cooper, Andrew I.; Day, Graeme Matthew Computational Modelling of Solvent Effects in a Prolific Solvatomorphic Porous Organic Cage Faraday Discussions (2018)
Space group: P -1
Cell volume: 7050.9
Cell parameters: 17.1487; 18.3913; 24.7171; 73.378; 72.98; 76.7;  

COD ID: 1549372
CIF file Formula: - C12 H9 N3 O2 S -
Comments: Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai; Xu, Wenqian; Dooryhee, Eric; Nichols, Shane M.; Ward, Michael D.; Kahr, Bart; Zhu, Qiang ROY revisited, again: the eighth solved structure. Faraday discussions 211 (2018) 477-491
Space group: P 1 21 1
Cell volume: 1200.68
Cell parameters: 10.77117; 11.01902; 11.43023; 90; 117.742; 90;  

COD ID: 1549732
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3772
Cell parameters: 27.997; 4.918; 28.971; 90; 108.987; 90;  

COD ID: 1549733
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3747
Cell parameters: 35.652; 5.206; 22.743; 90; 117.418; 90;  

COD ID: 1549734
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3702
Cell parameters: 27.844; 4.867; 28.892; 90; 108.98; 90;  

COD ID: 1549735
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3967
Cell parameters: 28.502; 5.051; 29.231; 90; 109.51; 90;  

COD ID: 1549736
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3894
Cell parameters: 28.301; 4.998; 29.154; 90; 109.217; 90;  

COD ID: 1549737
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3857
Cell parameters: 28.201; 4.972; 29.106; 90; 109.077; 90;  

COD ID: 1549738
CIF file Formula: - C22 H23 Cl N2 O2 -
Comments: Woollam, Grahame R.; Neumann, Marcus A.; Wagner, Trixie; Davey, Roger J. The importance of configurational disorder in crystal structure prediction: the case of loratadine. Faraday discussions 211 (2018) 209-234
Space group: C 1 2/c 1
Cell volume: 3728.9
Cell parameters: 27.906; 4.886; 28.927; 90; 109.016; 90;  

COD ID: 1550310
CIF file Formula: - C23 H56 F3 N2 O3 P4 Rh S -
Comments: Walsh, Aaron P.; Laureanti, Joseph A.; Katipamula, Sriram; Chambers, Geoffrey M.; Priyadarshani, Nilusha; Lense, Sheri; Bays, J. Timothy; Linehan, John C.; Shaw, Wendy J. Evaluating the impacts of amino acids in the second and outer coordination spheres of Rh-bis(diphosphine) complexes for CO<sub>2</sub> hydrogenation. Faraday discussions 215 (2019) 123-140
Space group: P 1 21/n 1
Cell volume: 3326.5
Cell parameters: 10.1497; 11.3546; 29.0077; 90; 95.69; 90;  

COD ID: 1550432
CIF file Formula: - C65.56 H77.12 B2 Cl7.12 F8 N2 O8.38 P4 Pd0.98 -
Comments: Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions 215 (2019) 141-161
Space group: C 1 2/c 1
Cell volume: 7613.4
Cell parameters: 24.9341; 15.1575; 22.1525; 90; 114.583; 90;  

COD ID: 1550433
CIF file Formula: - C35 H30 Cl3 F6 N O4.4 P3 Pd -
Comments: Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions 215 (2019) 141-161
Space group: P 1 21/n 1
Cell volume: 4046.96
Cell parameters: 12.3522; 26.1118; 13.6448; 90; 113.138; 90;  

COD ID: 1550434
CIF file Formula: - C33 H38 Cl2 N2 O4 P2 Pd -
Comments: Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions 215 (2019) 141-161
Space group: P 1 21/n 1
Cell volume: 3434.83
Cell parameters: 12.9976; 18.6574; 14.6755; 90; 105.169; 90;  

COD ID: 1550435
CIF file Formula: - C35 H41 Cl8 N Ni O4 P2 -
Comments: Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions 215 (2019) 141-161
Space group: P 1 21/c 1
Cell volume: 4239.29
Cell parameters: 11.7989; 15.5485; 23.5593; 90; 101.232; 90;  

COD ID: 1550436
CIF file Formula: - C33 H38 Cl2 N2 Ni O4 P2 -
Comments: Viertl, Wolfgang; Pann, Johann; Pehn, Richard; Roithmeyer, Helena; Bendig, Marvin; Rodríguez-Villalón, Alba; Bereiter, Raphael; Heiderscheid, Max; Müller, Thomas; Zhao, Xia; Hofer, Thomas S.; Thompson, Mark E.; Shi, Shuyang; Brueggeller, Peter Performance of enhanced DuBois type water reduction catalysts (WRC) in artificial photosynthesis - effects of various proton relays during catalysis. Faraday discussions 215 (2019) 141-161
Space group: P 1 21/n 1
Cell volume: 3385.56
Cell parameters: 12.8814; 18.6698; 14.5746; 90; 105.006; 90;  

COD ID: 1550951
CIF file Formula: - C32 H46 N2 Ru2 -
Comments: Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions (2019)
Space group: C 1 2/c 1
Cell volume: 5742
Cell parameters: 19.752; 8.4978; 34.8959; 90; 101.384; 90;  

COD ID: 1550952
CIF file Formula: - C37 H47 F6 N3 Ru2 -
Comments: Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions (2019)
Space group: P -1
Cell volume: 1834.17
Cell parameters: 10.3925; 11.225; 17.5502; 86.627; 86.435; 63.919;  

COD ID: 1550953
CIF file Formula: - C32 H42 N2 Ru2 -
Comments: Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions (2019)
Space group: C 1 2/c 1
Cell volume: 5802.5
Cell parameters: 21.875; 17.503; 16.448; 90; 112.87; 90;  

COD ID: 1550954
CIF file Formula: - C36 H48 N2 O4 Ru2 -
Comments: Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions (2019)
Space group: P n m a
Cell volume: 3394.84
Cell parameters: 16.0588; 19.8061; 10.6735; 90; 90; 90;  

COD ID: 1550955
CIF file Formula: - C32 H40 N2 Ru2 -
Comments: Takao, Toshihiro; Kawashima, Takashi; Nagae, Ryo; Kanda, Hideyuki; Watanabe, Wataru Diruthenium Complexes Having a Partially Hydrogenated Bipyridine Ligand: Plausible Mechanism for the Dehydrogenative Coupling of Pyridines at a Diruthenium Site Faraday Discussions (2019)
Space group: P -1
Cell volume: 2764.7
Cell parameters: 10.8926; 16.1224; 16.4294; 89.244; 78.917; 77.643;  

COD ID: 1551012
CIF file Formula: - C21 H19 F6 N4 P Ru -
Comments: Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions (2019)
Space group: C 1 2/c 1
Cell volume: 4267
Cell parameters: 10.983; 17.28; 22.513; 90; 93.032; 90;  

COD ID: 1551013
CIF file Formula: - C21 H19 F6 N4 P Ru -
Comments: Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions (2019)
Space group: P 1 21/n 1
Cell volume: 2166.7
Cell parameters: 10.228; 22.249; 10.582; 90; 115.87; 90;  

COD ID: 1551014
CIF file Formula: - C28 H35 F6 N4 O P Ru -
Comments: Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions (2019)
Space group: P 1 21/c 1
Cell volume: 3017
Cell parameters: 12.954; 12.142; 19.276; 90; 95.588; 90;  

COD ID: 1551015
CIF file Formula: - C25 H21 B F7 N3 Ru -
Comments: Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions (2019)
Space group: P 1 21/c 1
Cell volume: 2395.7
Cell parameters: 8.3496; 18.179; 16.009; 90; 99.636; 90;  

COD ID: 1551016
CIF file Formula: - C31 H26 F3 N3 O3 Ru S -
Comments: Tashima, Naoto; Ohta, Satomi; Kuwata, Shigeki Metal‒ligand cooperative C-O bond cleavage of propargylic alcohol with protic pyrazole complexes of ruthenium Faraday Discussions (2019)
Space group: P -1
Cell volume: 2883.6
Cell parameters: 10.0589; 16.366; 19.544; 65.342; 82.687; 81.397;  

COD ID: 1551195
CIF file Formula: - C20 H23 Cl N2 O Ru -
Comments: Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions (2019)
Space group: P 1 21/c 1
Cell volume: 1848.1
Cell parameters: 16.35; 7.9427; 14.551; 90; 102.037; 90;  

COD ID: 1551196
CIF file Formula: - C19 H20 Cl F N2 Ru -
Comments: Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions (2019)
Space group: P 1 21/n 1
Cell volume: 1734.4
Cell parameters: 7.8975; 12.039; 18.458; 90; 98.777; 90;  

COD ID: 1551197
CIF file Formula: - C20 H20 Cl F3 N2 Ru -
Comments: Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions (2019)
Space group: P -1
Cell volume: 934.7
Cell parameters: 7.9136; 10.349; 11.554; 96.208; 95.953; 91.935;  

COD ID: 1551198
CIF file Formula: - C19 H20 Cl F N2 Ru -
Comments: Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions (2019)
Space group: P 1 21/c 1
Cell volume: 1732.3
Cell parameters: 16.227; 7.9265; 14.503; 90; 111.776; 90;  

COD ID: 1551199
CIF file Formula: - C19 H20 Cl N3 O2 Ru -
Comments: Alharis, Raed A.; McMullin, Claire L.; Davies, David L.; Singh, Kuldip; Macgregor, Stuart Alan Understanding Electronic Effects on Carboxylate-Assisted C‒H Activation at Ruthenium: The Importance of Kinetic and Thermodynamic Control. Faraday Discussions (2019)
Space group: P -1
Cell volume: 903.6
Cell parameters: 7.846; 10.387; 11.278; 98.23; 96.173; 91.436;  

COD ID: 1551290
CIF file Formula: - C15 H28 B F N2 O2 -
Comments: Kuehn, Laura; Stang, Martin; Würtemberger-Pietsch, Sabrina; Friedrich, Alexandra; Schneider, Heidi; Radius, Udo; Marder, Todd B. FBpin and its Adducts and their Role in Catalytic Borylations Faraday Discussions (2019)
Space group: R 3 c :H
Cell volume: 7562
Cell parameters: 24.782; 24.782; 14.217; 90; 90; 120;  

COD ID: 1551895
CIF file Formula: - C64 H54 Cl F3 N2 O4 Os P4 S -
Comments: Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes Faraday Discussions (2019)
Space group: P 1 21/n 1
Cell volume: 5766.4
Cell parameters: 11.2054; 28.504; 18.0588; 90; 91.329; 90;  

COD ID: 1551896
CIF file Formula: - C64 H54 Cl F3 N2 O4 Os P4 S -
Comments: Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes Faraday Discussions (2019)
Space group: P 1 21/n 1
Cell volume: 5782
Cell parameters: 11.215; 28.5467; 18.0657; 90; 91.401; 90;  

COD ID: 1551897
CIF file Formula: - C60 H53 Cl6 N O5 Os P4 -
Comments: Chung, Lai-Hon; Yeung, Chi-Fung; Shek, Hau-Lam; Wong, Chun-Yuen Isolation of C3-Metalated Indolizine Complex and Phosphonium Ring-Fused Bicyclic Metallafuran from Osmium-Induced Transformation of Pyridine-Tethered Alkynes Faraday Discussions (2019)
Space group: P 1 21 1
Cell volume: 2937.22
Cell parameters: 11.803; 16.4826; 15.1932; 90; 96.418; 90;  

COD ID: 1552342
CIF file Formula: - C21 H17 F3 Ge -
Comments: Talavera, Maria; Müller, Robert; Ahrens, Theresia; von Hahmann, Cortney N.; Braun-Cula, Beatrice; Kaupp, Martin; Braun, Thomas Activation of tetrafluoropropenes by rhodium(i) germyl and silyl complexes Faraday Discussions (2019)
Space group: P 1 21/c 1
Cell volume: 3596.6
Cell parameters: 21.1522; 9.1254; 19.5533; 90; 107.649; 90;  

COD ID: 1552353
CIF file Formula: - C27.24 H36.48 B K N4 O3.81 Pt -
Comments: Pal, Shrinwantu; Patrick, Brian O.; Love, Jennifer A. Platinum-mediated B‒H methoxylation of bis(pyrazolyl)borate Faraday Discussions (2019)
Space group: P -1
Cell volume: 1717.5
Cell parameters: 10.5788; 11.2602; 15.097; 86.14; 79.626; 76.227;  

COD ID: 1552354
CIF file Formula: - C26 H34 B K N4 O2 Pt -
Comments: Pal, Shrinwantu; Patrick, Brian O.; Love, Jennifer A. Platinum-mediated B‒H methoxylation of bis(pyrazolyl)borate Faraday Discussions (2019)
Space group: P 1 21/n 1
Cell volume: 5307.4
Cell parameters: 9.6073; 15.6781; 35.365; 90; 94.891; 90;  

COD ID: 1552966
CIF file Formula: - C39 H33 N5 O4 S2 -
Comments: Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding. Faraday discussions 174 (2014) 297-312
Space group: P -1
Cell volume: 1656.07
Cell parameters: 6.9253; 13.3435; 18.5149; 88.562; 84.154; 76.656;  

COD ID: 1552967
CIF file Formula: - C39 H33 N5 O6 -
Comments: Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding. Faraday discussions 174 (2014) 297-312
Space group: P 1 21/c 1
Cell volume: 6283.59
Cell parameters: 21.99561; 9.3758; 31.7046; 90; 106.046; 90;  

COD ID: 1552968
CIF file Formula: - C37 H27 N5 O6 -
Comments: Black, Hayden T.; Lin, Huaping; Bélanger-Gariépy, Francine; Perepichka, Dmitrii F. Supramolecular control of organic p/n-heterojunctions by complementary hydrogen bonding. Faraday discussions 174 (2014) 297-312
Space group: P 1 21/n 1
Cell volume: 3015.03
Cell parameters: 17.9367; 9.3501; 19.4676; 90; 112.562; 90;  

COD ID: 1556940
CIF file Formula: - C18 H19 N3 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P -1
Cell volume: 794.01
Cell parameters: 7.7583; 9.5204; 11.4421; 70.673; 88.342; 84.629;  

COD ID: 1556941
CIF file Formula: - C40 H52 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P -4 21 c
Cell volume: 1830.3
Cell parameters: 15.2024; 15.2024; 7.9195; 90; 90; 90;  

COD ID: 1556942
CIF file Formula: - C56 H84 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P -4 21 c
Cell volume: 2691.73
Cell parameters: 12.312; 12.312; 17.7572; 90; 90; 90;  

COD ID: 1556943
CIF file Formula: - C40 H48 F4 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P -4 21 c
Cell volume: 1933.6
Cell parameters: 15.2973; 15.2973; 8.263; 90; 90; 90;  

COD ID: 1556944
CIF file Formula: - C35.67 H51.5 O2.67 Ti0.67 -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P 1 21/c 1
Cell volume: 5279
Cell parameters: 12.9534; 21.2798; 19.3799; 90; 98.805; 90;  

COD ID: 1556945
CIF file Formula: - C44 H48 Br4 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: I 41/a :2
Cell volume: 4802.2
Cell parameters: 22.37; 22.37; 9.5963; 90; 90; 90;  

COD ID: 1556946
CIF file Formula: - C19 H35 Cr N3 O -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P 1 21/n 1
Cell volume: 2155.34
Cell parameters: 9.1061; 9.1819; 25.815; 90; 93.065; 90;  

COD ID: 1556947
CIF file Formula: - C48.5 H70.5 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: C 1 2/c 1
Cell volume: 4733.3
Cell parameters: 22.452; 9.4744; 22.253; 90; 90.71; 90;  

COD ID: 1556948
CIF file Formula: - C30 H45 Cl3 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P -1
Cell volume: 1590.67
Cell parameters: 11.5725; 12.3899; 13.0612; 67.658; 80.546; 66.699;  

COD ID: 1556949
CIF file Formula: - C44 H60 O8 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P 1 21 1
Cell volume: 2119.6
Cell parameters: 10.0587; 14.8851; 14.1568; 90; 90.284; 90;  

COD ID: 1556950
CIF file Formula: - C44 H48 F12 O4 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: C 1 2/c 1
Cell volume: 4612.4
Cell parameters: 22.059; 9.8711; 22.6307; 90; 110.609; 90;  

COD ID: 1556951
CIF file Formula: - C65 H88 N3 O4 Ti2 -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: C 1 2/c 1
Cell volume: 12890.1
Cell parameters: 34.0256; 17.3283; 25.5196; 90; 121.054; 90;  

COD ID: 1556952
CIF file Formula: - C23 H30 I2 O2 Ti -
Comments: Aldrich, Kelly E.; Kansal, Dhwani; Odom, Aaron L. Catalyst design insights from modelling a titanium-catalyzed multicomponent reaction. Faraday discussions 220 (2019) 208-230
Space group: P -1
Cell volume: 1253.3
Cell parameters: 9.69; 9.8844; 13.151; 90.518; 92.411; 95.161;  

COD ID: 1557244
CIF file Formula: - C90 H126 Mn3 N12 O27 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5112
Cell parameters: 12.323; 32.145; 12.931; 90; 93.58; 90;  

COD ID: 1557245
CIF file Formula: - C84 H84 Cl18 Mn3 N12 O12 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5078
Cell parameters: 12.313; 31.877; 12.954; 90; 92.93; 90;  

COD ID: 1557246
CIF file Formula: - C105 H103.5 Mn3 N12 O12 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P -1
Cell volume: 4931
Cell parameters: 12.276; 12.869; 31.586; 93.98; 97.43; 92.02;  

COD ID: 1557247
CIF file Formula: - C111 H138 Mn3 N12 O21 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P -1
Cell volume: 5411
Cell parameters: 12.457; 13.242; 33.037; 86.69; 86.08; 85.22;  

COD ID: 1557248
CIF file Formula: - C97 H126 Mn3 N12 O18 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P -1
Cell volume: 4750.4
Cell parameters: 12.364; 12.947; 30.366; 99.4; 97.35; 91.57;  

COD ID: 1557249
CIF file Formula: - C93 H120 Mn3 N12 O21 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5186
Cell parameters: 12.274; 32.826; 12.93; 90; 95.51; 90;  

COD ID: 1557250
CIF file Formula: - C97.5 H111 Mn3 N12 O19.5 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P 1 21/m 1
Cell volume: 5061
Cell parameters: 12.307; 31.637; 13.006; 90; 92.1; 90;  

COD ID: 1557251
CIF file Formula: - C111 H106 Cl2 Mn3 N12 O16 Rh2 -
Comments: Peralta, Ricardo A.; Huxley, Michael T.; Young, Rosemary J.; Linder-Patton, Oliver M; Evans, Jack D.; Doonan, Christian J.; Sumby, Christopher J. MOF matrix isolation: cooperative conformational mobility enables reliable single crystal transformations. Faraday discussions 225 (2021) 84-99
Space group: P 1 21/c 1
Cell volume: 10683
Cell parameters: 12.339; 33.798; 25.762; 90; 96.1; 90;  

COD ID: 1557599
CIF file Formula: - C9 H10 N4 O3 Zn2 -
Comments: Huang, Zhehao; Ge, Meng; Carraro, Francesco; Doonan, Christian; Falcaro, Paolo; Zou, Xiaodong Can 3D electron diffraction provide accurate atomic structures of metal-organic frameworks? Faraday discussions 225 (2021) 118-132
Space group: P b a 2
Cell volume: 599.95
Cell parameters: 10.51; 12.234; 4.666; 90; 90; 90;  

COD ID: 1557771
CIF file Formula: - C94 H100 Cl12 N12 O3 Pd6 -
Comments: Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions 225 (2021) 197-209
Space group: P 1 21 1
Cell volume: 13967.4
Cell parameters: 14.2257; 50.2552; 19.5481; 90; 91.9145; 90;  

COD ID: 1557772
CIF file Formula: - C95.93 H98.19 Cl12 N15 O2.74 Pd6 -
Comments: Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions 225 (2021) 197-209
Space group: P 1 21/c 1
Cell volume: 14431
Cell parameters: 19.5269; 51.758; 14.2813; 90; 91.0232; 90;  

COD ID: 1557773
CIF file Formula: - C86.9 H86.8 Cl12 N12 O10.13 Pd6 -
Comments: Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions 225 (2021) 197-209
Space group: P 1 21 1
Cell volume: 14783.9
Cell parameters: 14.1814; 52.5455; 19.8435; 90; 91.1321; 90;  

COD ID: 1557774
CIF file Formula: - C98.4 H97.66 Cl12.55 N14.25 O2.95 Pd6 -
Comments: Tashiro, Shohei; Umeki, Tsutomu; Kubota, Ryou; Shionoya, Mitsuhiko Face-selective adsorption of a prochiral compound on the chiral pore-surface of a metal-macrocycle framework (MMF) directed towards stereoselective reactions. Faraday discussions 225 (2021) 197-209
Space group: P 1 21 1
Cell volume: 15002.9
Cell parameters: 14.338; 52.953; 19.7623; 90; 90.789; 90;  

COD ID: 1557791
CIF file Formula: - C20 H16 Cl2 N4 O Pt -
Comments: Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions 225 (2021) 184-196
Space group: P 1 21/c 1
Cell volume: 1831.55
Cell parameters: 5.3046; 21.6781; 15.9776; 90; 94.542; 90;  

COD ID: 1557792
CIF file Formula: - C21 H18 Cl2 N4 O Pt -
Comments: Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions 225 (2021) 184-196
Space group: P -1
Cell volume: 985.2
Cell parameters: 8.0185; 10.5928; 13.0124; 69.402; 86.254; 72.413;  

COD ID: 1557793
CIF file Formula: - C40 H34 Cl6.5 N8 O6 Pt2 -
Comments: Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity. Faraday discussions 225 (2021) 184-196
Space group: P -1
Cell volume: 2401.45
Cell parameters: 13.5911; 14.4864; 14.6981; 99.605; 101.408; 117.546;  

COD ID: 1558875
CIF file Formula: - C44.2 H35.32 N2.6 O16.6 Zn3 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: C 1 2/c 1
Cell volume: 5798.9
Cell parameters: 32.7998; 9.7204; 18.3042; 90; 96.453; 90;  

COD ID: 1558876
CIF file Formula: - C49.2 H46.78 N3.4 O18.7 Zn3 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: C 1 2/c 1
Cell volume: 5660.47
Cell parameters: 32.6406; 9.63384; 18.4404; 90; 102.534; 90;  

COD ID: 1558877
CIF file Formula: - C212 H260 N20 O76 Zn8 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: P c a 21
Cell volume: 24209.2
Cell parameters: 36.4926; 14.6058; 45.4204; 90; 90; 90;  

COD ID: 1558878
CIF file Formula: - C36 H34 N4 O14 Zn2 -
Comments: Cadman, Laura K.; Mahon, Mary F.; Burrows, Andrew D. Inclusion of viologen cations leads to switchable metal-organic frameworks. Faraday discussions 225 (2021) 414-430
Space group: P 1 21/n 1
Cell volume: 1803.39
Cell parameters: 9.6981; 16.1078; 11.5458; 90; 90.923; 90;  

COD ID: 1559676
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2168.42
Cell parameters: 13.7702; 13.7702; 13.2048; 90; 90; 120;  

COD ID: 1559677
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2216.4
Cell parameters: 13.9775; 13.9775; 13.0994; 90; 90; 120;  

COD ID: 1559678
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 32 2 1
Cell volume: 2452
Cell parameters: 14.8922; 14.8922; 12.7663; 90; 90; 120;  

COD ID: 1559679
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2463.14
Cell parameters: 14.9689; 14.9689; 12.6934; 90; 90; 120;  

COD ID: 1559680
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 32 2 1
Cell volume: 2482.56
Cell parameters: 15.0465; 15.0465; 12.6619; 90; 90; 120;  

COD ID: 1559681
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2247
Cell parameters: 14.0982; 14.0982; 13.0538; 90; 90; 120;  

COD ID: 1559682
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2124.9
Cell parameters: 13.6191; 13.6191; 13.2288; 90; 90; 120;  

COD ID: 1559683
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2298.6
Cell parameters: 14.366; 14.366; 12.8607; 90; 90; 120;  

COD ID: 1559684
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2276.1
Cell parameters: 14.218; 14.218; 13.0014; 90; 90; 120;  

COD ID: 1559685
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2340
Cell parameters: 14.515; 14.515; 12.8247; 90; 90; 120;  

COD ID: 1559686
CIF file Formula: - C20 H22 Cd N4 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2209.89
Cell parameters: 13.9484; 13.9484; 13.1157; 90; 90; 120;  

COD ID: 1559687
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2438.2
Cell parameters: 14.8744; 14.8744; 12.7248; 90; 90; 120;  

COD ID: 1559688
CIF file Formula: - C16 H6 Cd N2 O12 -
Comments: Watkins, Daniel; Roseveare, Thomas M.; Warren, Mark R.; Thompson, Stephen P.; Fletcher, Ashleigh J.; Brammer, Lee Multi-stimulus linear negative expansion of a breathing M(O<sub>2</sub>CR)<sub>4</sub>-node MOF. Faraday discussions 225 (2021) 133-151
Space group: P 31 2 1
Cell volume: 2450.94
Cell parameters: 14.921; 14.921; 12.7118; 90; 90; 120;  

COD ID: 1562006
CIF file Formula: - C195.5 H248 N19 O67 Zr6 -
Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180
Space group: C 2 2 21
Cell volume: 47325
Cell parameters: 25.1903; 29.0888; 64.585; 90; 90; 90;  

COD ID: 1562007
CIF file Formula: - C135 H78 O40 Zr6 -
Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180
Space group: C 2 2 21
Cell volume: 47939
Cell parameters: 25.626; 30.235; 61.873; 90; 90; 90;  

COD ID: 1562008
CIF file Formula: - C61 H42 O17 Zr3 -
Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180
Space group: I 41 2 2
Cell volume: 69106
Cell parameters: 42.697; 42.697; 37.907; 90; 90; 90;  

COD ID: 1562009
CIF file Formula: - C135 H78 O60 P3 Zr9 -
Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180
Space group: P 62 2 2
Cell volume: 57495
Cell parameters: 38.1622; 38.1622; 45.5859; 90; 90; 120;  

COD ID: 1562010
CIF file Formula: - C182.67 H102 O60 P3 Zr9 -
Comments: Gong, Wei; Liu, Yan; Cui, Yong Chiral and robust Zr(IV)-based metal-organic frameworks built from spiro skeletons. Faraday discussions 231 (2021) 168-180
Space group: P 32 2 1
Cell volume: 86818
Cell parameters: 45.122; 45.122; 49.238; 90; 90; 120;  

COD ID: 1562402
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562403
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562404
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562405
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562406
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562407
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562408
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562409
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562410
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562411
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562412
CIF file Formula: - C10 N5 O0.5 Zn1.5 -
Comments: Ge, Meng; Yang, Taimin; Wang, Yanzhi; Carraro, Francesco; Liang, Weibin; Doonan, Christian; Falcaro, Paolo; Zheng, Haoquan; Zou, Xiaodong; Huang, Zhehao On the completeness of three-dimensional electron diffraction data for structural analysis of metal-organic frameworks. Faraday discussions 231 (2021) 66-80
Space group: P 1 21/c 1
Cell volume: 2573
Cell parameters: 13.654; 14.936; 14.311; 90; 118.162; 90;  

COD ID: 1562413
CIF file Formula: - C13 H13 N O4 S2 -
Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111
Space group: P 1 21/c 1
Cell volume: 1437.3
Cell parameters: 12.5382; 7.5215; 15.2868; 90; 94.455; 90;  

COD ID: 1562414
CIF file Formula: - C17 H15 N O4 S3 -
Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111
Space group: I 1 2/c 1
Cell volume: 7248
Cell parameters: 19.992; 12.091; 30.161; 90; 96.166; 90;  

COD ID: 1562415
CIF file Formula: - C12 H10 O2 S -
Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111
Space group: I 1 a 1
Cell volume: 1061.7
Cell parameters: 5.968; 7.371; 24.21; 90; 94.51; 90;  

COD ID: 1562416
CIF file Formula: - C10 H8 O2 S2 -
Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111
Space group: P b c a
Cell volume: 2043.5
Cell parameters: 14.212; 6.005; 23.945; 90; 90; 90;  

COD ID: 1562417
CIF file Formula: - C9 H6 O2 S2 -
Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111
Space group: C 1 2/c 1
Cell volume: 1838
Cell parameters: 20.4772; 12.4117; 7.2775; 90; 96.438; 90;  

COD ID: 1562418
CIF file Formula: - C7 H4 Cl N S -
Comments: Fucci, Rosa; Vande Velde, Christophe M. L. Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs. Faraday discussions 231 (2021) 97-111
Space group: P 21 21 21
Cell volume: 759.49
Cell parameters: 5.802; 8.7244; 15.004; 90; 90; 90;  

COD ID: 1563957
CIF file Formula: - C16 H8 O16 Zr3 -
Comments: Lee, Seungkyu; Yaghi, Omar M. 'Eye' of the molecule-a viewpoint. Faraday discussions 231 (2021) 145-149
Space group: P n n m
Cell volume: 4266.2
Cell parameters: 13.4687; 14.8959; 21.264; 90; 90; 90;  

COD ID: 1564106
CIF file Formula: - C26 H14 F2 N4 S2 -
Comments: Doheny, Patrick W.; Hua, Carol; Chan, Bun; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M Substituent effects on through-space intervalence charge transfer in cofacial metal-organic frameworks. Faraday discussions 231 (2021) 152-167
Space group: P 1 21/c 1
Cell volume: 1023
Cell parameters: 24.13; 3.759; 11.591; 90; 103.34; 90;  

COD ID: 1564107
CIF file Formula: - C38 H30 F2 N6 O6 S3 Zn -
Comments: Doheny, Patrick W.; Hua, Carol; Chan, Bun; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M Substituent effects on through-space intervalence charge transfer in cofacial metal-organic frameworks. Faraday discussions 231 (2021) 152-167
Space group: P c c n
Cell volume: 7569.97
Cell parameters: 26.0566; 18.5354; 15.6738; 90; 90; 90;  

COD ID: 1564950
CIF file Formula: - C11 H20 Cu F3 O3 S5 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P 1 21/n 1
Cell volume: 3548.5
Cell parameters: 19.3571; 9.1791; 20.0178; 90; 93.921; 90;  

COD ID: 1564951
CIF file Formula: - C14 H24 Cl4 Cu F6 O6 S6 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P 1 21/n 1
Cell volume: 1436.4
Cell parameters: 9.4758; 10.1782; 15.084; 90; 99.132; 90;  

COD ID: 1564952
CIF file Formula: - C12 H23 Cl2 Co N S4 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: C 1 2/c 1
Cell volume: 1844.1
Cell parameters: 21.553; 8.7583; 9.884; 90; 98.733; 90;  

COD ID: 1564953
CIF file Formula: - C12 H23 Cu F6 N P S4 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P -1
Cell volume: 996.7
Cell parameters: 8.9013; 10.1583; 12.8933; 71.697; 70.925; 67.975;  

COD ID: 1564954
CIF file Formula: - C16 H26 Co F6 N2 O6 S6 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P 1 21/c 1
Cell volume: 1380.67
Cell parameters: 9.7818; 17.6403; 8.0039; 90; 91.436; 90;  

COD ID: 1564955
CIF file Formula: - C78 H50 B2 F48 Fe N2 S4 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P -1
Cell volume: 2071.09
Cell parameters: 12.2236; 12.9921; 14.746; 74.5207; 87.2647; 66.8668;  

COD ID: 1564956
CIF file Formula: - C11 H22 Cu F3 N2 O3 S3 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P 1 21/n 1
Cell volume: 1748.9
Cell parameters: 8.7939; 14.9481; 13.6317; 90; 102.586; 90;  

COD ID: 1564957
CIF file Formula: - C11 H22 Cl2 Cu F6 P S4 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: C 1 2/c 1
Cell volume: 4015.9
Cell parameters: 24.959; 9.584; 20.849; 90; 126.366; 90;  

COD ID: 1564958
CIF file Formula: - C16 H29 Fe2 I4 N3 S4 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P b c a
Cell volume: 5972.1
Cell parameters: 13.5519; 19.3693; 22.7518; 90; 90; 90;  

COD ID: 1564959
CIF file Formula: - C28 H52 Fe3 I6 N4 S8 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P 1 21/c 1
Cell volume: 5083.9
Cell parameters: 17.8349; 19.1835; 15.1569; 90; 101.373; 90;  

COD ID: 1564960
CIF file Formula: - C34 H40 B Cu S4 -
Comments: Rotärmel, Thomas; Becker, Jonathan; Schindler, Siegfried Syntheses and investigation of metal complexes with macrocyclic polythioether ligands. Faraday discussions 234 (2022) 70-85
Space group: P 61
Cell volume: 4688.2
Cell parameters: 10.7164; 10.7164; 47.139; 90; 90; 120;  

COD ID: 1565133
CIF file Formula: - C88 H76 Cl2 Fe2 N12 O13 -
Comments: Amanullah, Sk; Saha, Paramita; Dey, Abhishek O<sub>2</sub> reduction by iron porphyrins with electron withdrawing groups: to scale or not to scale. Faraday discussions 234 (2022) 143-158
Space group: P 1 21/c 1
Cell volume: 7744.6
Cell parameters: 8.0718; 26.641; 36.191; 90; 95.657; 90;  

COD ID: 1566366
CIF file Formula: - C62 H87.79 Cl4 Fe2 N12 O24.9 -
Comments: Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. Faraday discussions 234 (2022) 109-128
Space group: P -1
Cell volume: 3754.5
Cell parameters: 11.684; 13.345; 25.013; 75.152; 84.913; 87.753;  

COD ID: 1566367
CIF file Formula: - C152 H197 Cl8 D24 Fe4 N27 O48 -
Comments: Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. Faraday discussions 234 (2022) 109-128
Space group: P -1
Cell volume: 4360.5
Cell parameters: 14.2183; 15.72; 21.5627; 86.579; 71.452; 72.753;  

COD ID: 1566368
CIF file Formula: - C62 H90 Cl3 Fe2 N10 O22 -
Comments: Rohde, Gregory T.; Xue, Genqiang; Que, Jr, Lawrence Explorations of the nonheme high-valent iron-oxo landscape: crystal structure of a synthetic complex with an [FeIV2(μ-O)<sub>2</sub>] diamond core relevant to the chemistry of sMMOH. Faraday discussions 234 (2022) 109-128
Space group: C 1 2/c 1
Cell volume: 6841.5
Cell parameters: 27.9262; 11.108; 22.8446; 90; 105.11; 90;  

COD ID: 1567158
CIF file Formula: - C26 H30 N2 O4 -
Comments: de Oliveira Martins, Inês; Marin, Francesco; Modena, Enrico; Maini, Lucia On the crystal forms of NDI-C6: annealing and deposition procedures to access elusive polymorphs. Faraday discussions 235 (2022) 490-507
Space group: P -1
Cell volume: 603.153
Cell parameters: 4.85556; 6.47166; 19.94656; 92.1464; 95.834; 104.227;  

COD ID: 1567181
CIF file Formula: - C11 H14 N2 O5 -
Comments: Linberg, Kevin; Röder, Bettina; Al-Sabbagh, Dominik; Emmerling, Franziska; Michalchuk, Adam A. L. Controlling polymorphism in molecular cocrystals by variable temperature ball milling. Faraday discussions 241 (2023) 178-193
Space group: P 1 21/a 1
Cell volume: 1205.5
Cell parameters: 26.371; 5.2029; 8.904; 90; 99.325; 90;  

COD ID: 1567249
CIF file Formula: - C6 H8 Ag Br N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions 241 (2023) 448-465
Space group: P 1 21/c 1
Cell volume: 816.57
Cell parameters: 6.316; 7.365; 17.769; 90; 81.08; 90;  

COD ID: 1567250
CIF file Formula: - C6 H9 Br N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions 241 (2023) 448-465
Space group: P 1 21/c 1
Cell volume: 798.93
Cell parameters: 7.8259; 13.3434; 7.8729; 90; 103.64; 90;  

COD ID: 1567251
CIF file Formula: - C6 H8 Ag Br N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions 241 (2023) 448-465
Space group: P 1 21/c 1
Cell volume: 810.65
Cell parameters: 9.4518; 6.188; 14.3981; 90; 105.712; 90;  

COD ID: 1567252
CIF file Formula: - C6 H8 Ag I N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions 241 (2023) 448-465
Space group: P 1 21/c 1
Cell volume: 1755.65
Cell parameters: 16.9162; 4.5682; 22.7197; 90; 90.447; 90;  

COD ID: 1567253
CIF file Formula: - C6 H8 Ag I N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions 241 (2023) 448-465
Space group: P -1
Cell volume: 441.808
Cell parameters: 4.579; 10.323; 10.263; 112.54; 83.86; 85.59;  

COD ID: 1567254
CIF file Formula: - C6 H8 Ag Br N2 -
Comments: Zuffa, Caterina; Cappuccino, Chiara; Marchini, Marianna; Contini, Laura; Farinella, Francesco; Maini, Lucia AgX-based hybrid coordination polymers: mechanochemical synthesis, structure and luminescence property characterization. Faraday discussions 241 (2023) 448-465
Space group: P -1
Cell volume: 410.63
Cell parameters: 4.3871; 10.1081; 10.251; 113.498; 97.081; 93.535;  

COD ID: 1567345
CIF file Formula: - C24 H16 -
Comments: Biswas, Sankarsan; Banerjee, Sayan; Shlain, Milan A.; Bardin, Andrey A.; Ulijn, Rein V.; Nannenga, Brent L.; Rappe, Andrew M.; Braunschweig, Adam B. Photomechanochemical control over stereoselectivity in the [2 + 2] photodimerization of acenaphthylene. Faraday discussions 241 (2023) 266-277
Space group: P 1 21/n 1
Cell volume: 731.9
Cell parameters: 7.72; 4.78; 19.85; 90; 92.22; 90;  

COD ID: 1567389
CIF file Formula: - C2 Cu K N2 -
Comments: Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts. Faraday discussions 241 (2023) 425-447
Space group: P 1 21/c 1
Cell volume: 430.14
Cell parameters: 7.5629; 7.8139; 7.4416; 90; 102.011; 90;  

COD ID: 1567390
CIF file Formula: - C2 Au K N2 -
Comments: Vainauskas, Jogirdas; Topić, Filip; Arhangelskis, Mihails; Titi, Hatem M.; Friščić, Tomislav Polymorphs and solid solutions: materials with new luminescent properties obtained through mechanochemical transformation of dicyanoaurate(I) salts. Faraday discussions 241 (2023) 425-447
Space group: P 63/m m c
Cell volume: 810.76
Cell parameters: 7.3007; 7.3007; 17.5643; 90; 90; 120;  

COD ID: 1567404
CIF file Formula: - C80 H116 Cl2 In2 N4 O8 S4 -
Comments: Leon, Felix; Li, Chenfei; Reynes, Javier F.; Singh, Varun K.; Lian, Xiao; Ong, How Chee; Hum, Gavin; Sun, Handong; García, Felipe Mechanosynthesis and photophysics of colour-tunable photoluminescent group 13 metal complexes with sterically demanding salen and salophen ligands. Faraday discussions 241 (2023) 63-78
Space group: P -1
Cell volume: 4420.6
Cell parameters: 14.6788; 16.4689; 19.909; 90.361; 105.337; 106.991;  

COD ID: 1567441
CIF file Formula: - C20 H31 N3 O2 S -
Comments: Gonnet, Lori; Borchers, Tristan H.; Lennox, Cameron B.; Vainauskas, Jogirdas; Teoh, Yong; Titi, Hatem M.; Barrett, Christopher J.; Koenig, Stefan G.; Nagapudi, Karthik; Friščić, Tomislav The "<i>η</i>-sweet-spot" (<i>η</i><sub>max</sub>) in liquid-assisted mechanochemistry: polymorph control and the role of a liquid additive as either a catalyst or an inhibitor in resonant acoustic mixing (RAM). Faraday discussions 241 (2023) 128-149
Space group: R -3 :H
Cell volume: 9345.6
Cell parameters: 23.28; 23.28; 19.9119; 90; 90; 120;  

COD ID: 1568082
CIF file Formula: - C59.5 H56 Mo N4 O -
Comments: Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L. Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes. Faraday discussions 243 (2023) 429-449
Space group: P -1
Cell volume: 2547.86
Cell parameters: 11.8219; 13.2826; 16.6908; 93.563; 98.612; 99.221;  

COD ID: 1568083
CIF file Formula: - C70 H68 Cl2 Mo N4 -
Comments: Hegg, Alexander S.; Mercado, Brandon Q.; Miller, Alexander J. M.; Holland, Patrick L. Catalytic reduction of dinitrogen to ammonia using molybdenum porphyrin complexes. Faraday discussions 243 (2023) 429-449
Space group: C 1 2/c 1
Cell volume: 5732
Cell parameters: 19.8644; 25.0963; 11.9054; 90; 105.033; 90;  

COD ID: 1568123
CIF file Formula: - C11 H17 Al N Na O -
Comments: Damián, Jesús; Rentero, Christian; Echeverría, Jorge; Mosquera, Marta E. G. Alkali metal⋯methyl short contacts in aluminates: more than agostic interactions. Faraday discussions 244 (2023) 294-305
Space group: P 1 21/c 1
Cell volume: 1381.62
Cell parameters: 9.5855; 11.0763; 13.1896; 90; 99.386; 90;  

COD ID: 1568167
CIF file Formula: - C42 H56 N10 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: C 1 c 1
Cell volume: 3960.4
Cell parameters: 20.621; 16.428; 11.715; 90; 93.68; 90;  

COD ID: 1568168
CIF file Formula: - C42 H56 Br2 Cu2 N10 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: P -1
Cell volume: 4534.7
Cell parameters: 15.937; 16.75; 17.048; 89.73; 86.39; 86.79;  

COD ID: 1568169
CIF file Formula: - C42 H56 Cu2 I2 N10 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: P -1
Cell volume: 4823
Cell parameters: 15.889; 17.074; 17.838; 90.35; 93.73; 92.86;  

COD ID: 1568170
CIF file Formula: - C42 H56 Cu2 F12 N10 O2 Sb2 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: P 1 21/c 1
Cell volume: 6291
Cell parameters: 17.15; 20.445; 18.975; 90; 109; 90;  

COD ID: 1568171
CIF file Formula: - C48 H62 Cu2 F6 N12 O6 S2 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: P 1 21/c 1
Cell volume: 2815.5
Cell parameters: 13.994; 13.812; 15.483; 90; 109.81; 90;  

COD ID: 1568172
CIF file Formula: - C42 H56 Cl2 Cu2 N10 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: P -1
Cell volume: 4397.6
Cell parameters: 16.007; 16.568; 16.63; 89.47; 86.66; 87.22;  

COD ID: 1568173
CIF file Formula: - C48 H66 Cl4 Cu2 F12 N12 P2 -
Comments: Dalhoff, Rosalie; Schmidt, Regina; Steeb, Lena; Rabatinova, Kristina; Witte, Matthias; Teeuwen, Simon; Benjamaâ, Salim; Hüppe, Henrika; Hoffmann, Alexander; Herres-Pawlis, Sonja The bridge towards a more stable and active side-on-peroxido (Cu<sub>2</sub><sup>II</sup>(µ-η<sup>2</sup>:η<sup>2</sup>-O<sub>2</sub>)) complex as a tyrosinase model system. Faraday discussions 244 (2023) 134-153
Space group: P 1 21/n 1
Cell volume: 3044.5
Cell parameters: 11.656; 15.29; 17.087; 90; 91.29; 90;  

COD ID: 1568178
CIF file Formula: - C31 H47 F6 N4 Ni -
Comments: Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N. Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes. Faraday discussions 244 (2023) 62-76
Space group: P -1
Cell volume: 1626.18
Cell parameters: 11.3574; 11.4628; 12.8226; 102.524; 91.226; 93.168;  

COD ID: 1568179
CIF file Formula: - C38 H48 F8 I N4 Ni -
Comments: Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N. Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes. Faraday discussions 244 (2023) 62-76
Space group: P -1
Cell volume: 2006.65
Cell parameters: 10.5397; 10.7172; 19.4459; 105.371; 98.187; 103.797;  

COD ID: 1568180
CIF file Formula: - C44 H48 F10 I2 N4 Ni -
Comments: Thangavadivale, Vargini G.; Tendera, Lukas; Bertermann, Rüdiger; Radius, Udo; Beweries, Torsten; Perutz, Robin N. Solution and solid-state studies of hydrogen and halogen bonding with N-heterocyclic carbene supported nickel(II) fluoride complexes. Faraday discussions 244 (2023) 62-76
Space group: P -1
Cell volume: 4767.32
Cell parameters: 17.5163; 18.1903; 18.3475; 104.496; 113.59; 104.443;  

COD ID: 1568240
CIF file Formula: - C7 H8 N4 O3 Se -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P c a 21
Cell volume: 2050.4
Cell parameters: 21.779; 3.8696; 24.33; 90; 90; 90;  

COD ID: 1568241
CIF file Formula: - C10 H8 Br2 Cu N8 O2 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P -1
Cell volume: 455.2
Cell parameters: 5.4742; 7.767; 11.921; 73.52; 79.658; 70.146;  

COD ID: 1568242
CIF file Formula: - C24 H22 Br4 Cu2 N2 O2 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P 1 21/n 1
Cell volume: 1509.9
Cell parameters: 8.127; 13.0444; 14.448; 90; 99.666; 90;  

COD ID: 1568243
CIF file Formula: - C44 H46 Br2 Cu2 N4 O6 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P -1
Cell volume: 1122.23
Cell parameters: 8.2849; 11.2981; 12.3104; 83.249; 81.394; 81.805;  

COD ID: 1568457
CIF file Formula: - C19 H13 N3 O8 Pt -
Comments: Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R. Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties. Faraday discussions 244 (2023) 411-433
Space group: I b a m
Cell volume: 4376.3
Cell parameters: 35.828; 18.4081; 6.6356; 90; 90; 90;  

COD ID: 1568458
CIF file Formula: - C19 H13 N3 O Pt -
Comments: Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R. Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties. Faraday discussions 244 (2023) 411-433
Space group: P 1 21/c 1
Cell volume: 1541.89
Cell parameters: 6.8945; 15.5988; 14.7127; 90; 102.975; 90;  

COD ID: 1568459
CIF file Formula: - C41 H32 Cl2 N6 O4 Pt2 -
Comments: Bryant, Mathew J.; Fuertes, Sara; Hatcher, Lauren E.; Thomas, Lynne H.; Raithby, Paul R. Structural modifications to platinum(II) pincer complexes resulting in changes in their vapochromic and solvatochromic properties. Faraday discussions 244 (2023) 411-433
Space group: P -1
Cell volume: 1826.54
Cell parameters: 7.273; 11.5993; 21.8397; 87.882; 85.973; 83.861;  

COD ID: 1568975
CIF file Formula: - C64 H80 N6 O16 Ru4 -
Comments: Cosio, Mario N.; Alharbi, Waad S.; Sur, Aishanee; Wang, Chen-Hao; Najafian, Ahmad; Cundari, Thomas R.; Powers, David C. On the mechanism of intermolecular nitrogen-atom transfer from a lattice-isolated diruthenium nitride intermediate. Faraday discussions 244 (2023) 154-168
Space group: P -1
Cell volume: 3331.4
Cell parameters: 11.2116; 17.2969; 19.8432; 64.903; 89.935; 74.563;  

COD ID: 1569481
CIF file Formula: - C48 H40 B Cu F4 N4 O8 -
Comments: Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A. Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes. Faraday discussions 244 (2023) 391-410
Space group: P -1
Cell volume: 2051.6
Cell parameters: 11.7561; 13.8748; 14.2785; 88.744; 75.329; 66.116;  

COD ID: 1569482
CIF file Formula: - C60 H48 B Cu F4 N2 O5 P2 -
Comments: Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A. Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes. Faraday discussions 244 (2023) 391-410
Space group: P 1 21/n 1
Cell volume: 5225
Cell parameters: 17.2437; 10.7278; 29.075; 90; 103.722; 90;  

COD ID: 1569483
CIF file Formula: - C63 H52 B Cu F4 N2 O5 P2 -
Comments: Appleby, Martin V.; Cowin, Rory A.; Ivalo, Iona I.; Peralta-Arriaga, Samantha L; Robertson, Craig C.; Bartlett, Stuart; Fitzpatrick, Ann; Dent, Andrew; Karras, Gabriel; Diaz-Moreno, Sofia; Chekulaev, Dimitri; Weinstein, Julia A. Ultrafast electronic, infrared, and X-ray absorption spectroscopy study of Cu(I) phosphine diimine complexes. Faraday discussions 244 (2023) 391-410
Space group: P -1
Cell volume: 2737.8
Cell parameters: 11.241; 14.6532; 18.4225; 73.672; 86.086; 70.147;  

COD ID: 1569768
CIF file Formula: - C19 H17 N O Se -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: C 1 2/c 1
Cell volume: 3188.8
Cell parameters: 30.89; 5.5621; 18.666; 90; 96.111; 90;  

COD ID: 1569769
CIF file Formula: - C26 H24 Cu N18 O4 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P 1 21/n 1
Cell volume: 1675.28
Cell parameters: 8.271; 20.2764; 10.189; 90; 101.361; 90;  

COD ID: 1569770
CIF file Formula: - C38 H32 Cu N2 O2 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P 1 21/c 1
Cell volume: 3165.92
Cell parameters: 30.1433; 5.7103; 18.3935; 90; 90.456; 90;  

COD ID: 1569771
CIF file Formula: - C24 H22 Cl2 Cu N2 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P -1
Cell volume: 1177.49
Cell parameters: 9.533; 10.8335; 12.517; 77.904; 73.264; 73.894;  

COD ID: 1569772
CIF file Formula: - C24 H22 Cl4 Cu2 N2 O2 Se2 -
Comments: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L. Chalcogen bonding in copper(II)-mediated synthesis. Faraday discussions 244 (2023) 77-95
Space group: P 1 21/n 1
Cell volume: 1434.1
Cell parameters: 7.7872; 13.1414; 14.2735; 90; 100.945; 90;  

COD ID: 1569774
CIF file Formula: - C17 H10 N2 S7 -
Comments: Tomimatsu, Akihiro; Suizu, Rie; Nakazawa, Miyabi; Shirahata, Takashi; Misaki, Yohji; Kinoshita, Naoya; Awaga, Kunio Optoelectronic conversion and polarization hysteresis in organic MISM and MISIM devices with DA-type single-component molecules. Faraday discussions 250 (2024) 96-109
Space group: P 1 21/n 1
Cell volume: 1779.09
Cell parameters: 6.504; 23.3098; 11.7604; 90; 93.774; 90;  

COD ID: 7202466
CIF file Formula: - C12 H4 Cl4 O2 S4 -
Comments: Pilar García; Slimane Dahaoui; Claudine Katan; Mohamed Souhassou; Claude Lecomte On the accurate estimation of intermolecular interactions and charge transfer: the case of TTF-CA Faraday Discussions 135 (2007) 217
Space group: P 1 21/n 1
Cell volume: 785.77
Cell parameters: 7.2297; 7.5933; 14.498; 90; 99.15; 90;  

COD ID: 7202467
CIF file Formula: - C12 H4 Cl4 O2 S4 -
Comments: Pilar García; Slimane Dahaoui; Claudine Katan; Mohamed Souhassou; Claude Lecomte On the accurate estimation of intermolecular interactions and charge transfer: the case of TTF-CA Faraday Discussions 135 (2007) 217
Space group: P 1 n 1 (a,b+1/4,c)
Cell volume: 779.02
Cell parameters: 7.1999; 7.5556; 14.4798; 90; 98.511; 90;  

COD ID: 7202468
CIF file Formula: - C6 H4 S4 -
Comments: Pilar García; Slimane Dahaoui; Claudine Katan; Mohamed Souhassou; Claude Lecomte On the accurate estimation of intermolecular interactions and charge transfer: the case of TTF-CA Faraday Discussions 135 (2007) 217
Space group: P -1
Cell volume: 809.74
Cell parameters: 8.3101; 12.78; 7.9582; 99.627; 95.906; 101.083;  

COD ID: 7202469
CIF file Formula: - C6 Cl4 O2 -
Comments: Pilar García; Slimane Dahaoui; Claudine Katan; Mohamed Souhassou; Claude Lecomte On the accurate estimation of intermolecular interactions and charge transfer: the case of TTF-CA Faraday Discussions 135 (2007) 217
Space group: P 1 21/c 1
Cell volume: 408.12
Cell parameters: 8.5745; 5.6898; 8.7004; 90; 105.952; 90;  

COD ID: 7202609
CIF file Formula: - C14 H14 N2 O4 -
Comments: Friščić, Tomislav; Jones, William Cocrystal architecture and properties: design and building of chiral and racemic structures by solid‒solid reactions Faraday Discussions 136 (2007) 167
Space group: C 1 2 1
Cell volume: 2632.9
Cell parameters: 32.6557; 5.4751; 14.9264; 90; 99.4; 90;  


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