Crystallography Open Database

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Searching journal of publication like 'IUCrJ' volume of publication is 3

COD ID: 1543220
CIF file Formula: - C12 H8 Br N O2 -
Comments: Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ 3(3) (2016) 219-225
Space group: P 1 21 1
Cell volume: 2158.5
Cell parameters: 9.991; 14.1075; 15.656; 90; 102; 90;  

COD ID: 1543221
CIF file Formula: - C12 H8 Br N O2 -
Comments: Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ 3(3) (2016) 219-225
Space group: P 1 21 1
Cell volume: 2159.1
Cell parameters: 9.971; 14.1307; 15.65; 90; 101.71; 90;  

COD ID: 1543222
CIF file Formula: - C13 H8 Br N -
Comments: Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ 3(3) (2016) 219-225
Space group: P 1 21 1
Cell volume: 2173.2
Cell parameters: 9.6028; 14.6523; 15.5726; 90; 97.34; 90;  

COD ID: 1543223
CIF file Formula: - C13 H8 Br N -
Comments: Burgener, Matthias; Aboulfadl, Hanane; Labat, Gaël Charles; Bonin, Michel; Sommer, Martin; Sankolli, Ravish; Wübbenhorst, Michael; Hulliger, Jürg Peculiar orientational disorder in 4-bromo-4'-nitrobiphenyl (BNBP) and 4-bromo-4'-cyanobiphenyl (BCNBP) leading to bipolar crystals IUCrJ 3(3) (2016) 219-225
Space group: P 1 21 1
Cell volume: 2168
Cell parameters: 9.5964; 14.6438; 15.5585; 90; 97.429; 90;  

COD ID: 1543412
CIF file

Original IUCr paper

 Formula: - C45 H32 Cu2 I2 N4 S1.95 -
Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016)
Space group: I 4/m c m
Cell volume: 4843.39
Cell parameters: 13.2563; 13.2563; 27.5616; 90; 90; 90;  

COD ID: 1543413
CIF file Formula: - C45 H32 Cu1.88 I1.88 N4 S3 -
Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016)
Space group: P -4
Cell volume: 5135.4
Cell parameters: 26.7176; 26.7176; 7.1942; 90; 90; 90;  

COD ID: 1543414
CIF file Formula: - C45 H32 Cu1.88 I1.88 N4 S3.01 -
Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016)
Space group: I -4
Cell volume: 5178.16
Cell parameters: 26.8758; 26.8758; 7.1689; 90; 90; 90;  

COD ID: 1543415
CIF file Formula: - C45 H32 Cu1.88 I1.88 N4 S3.01 -
Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016)
Space group: I -4
Cell volume: 5194.15
Cell parameters: 26.8987; 26.8987; 7.1788; 90; 90; 90;  

COD ID: 1543416
CIF file Formula: - C45 H32 Cu1.85 I1.85 N4 S3 -
Comments: Kitagawa, Hakuba; Ohtsu, Hiroyoshi; Cruz-Cabeza, Aurora J.; Kawano, Masaki Isolation and evolution of labile sulfur allotropesviakinetic encapsulation in interactive porous networks IUCrJ 3(4) (2016)
Space group: I -4
Cell volume: 5176.56
Cell parameters: 26.8664; 26.8664; 7.1717; 90; 90; 90;  

COD ID: 1543858
CIF file

Original IUCr paper

 Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: I 1 2 1
Cell volume: 2126.3
Cell parameters: 9.6246; 5.2079; 43.103; 90; 100.201; 90;  

COD ID: 1543859
CIF file Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 1070.79
Cell parameters: 9.6176; 5.2126; 21.768; 90; 101.123; 90;  

COD ID: 1543860
CIF file Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 1103.15
Cell parameters: 9.6132; 5.2239; 22.4134; 90; 101.453; 90;  

COD ID: 1543861
CIF file Formula: - C4 H9 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 1130.6
Cell parameters: 9.6233; 5.2274; 22.877; 90; 100.764; 90;  

COD ID: 1543862
CIF file Formula: - C5 H11 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 641.77
Cell parameters: 9.6123; 5.1222; 13.183; 90; 98.609; 90;  

COD ID: 1543863
CIF file Formula: - C5 H11 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 651.7
Cell parameters: 9.604; 5.1222; 13.352; 90; 97.137; 90;  

COD ID: 1543864
CIF file Formula: - C5 H11 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: I 1 2 1
Cell volume: 1356.1
Cell parameters: 9.5868; 5.156; 27.477; 90; 93.203; 90;  

COD ID: 1543865
CIF file Formula: - C5 H11 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: I 1 2 1
Cell volume: 1386.1
Cell parameters: 9.5855; 5.1752; 27.959; 90; 92.057; 90;  

COD ID: 1543866
CIF file Formula: - C5 H11 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 709.4
Cell parameters: 9.589; 5.2054; 14.698; 90; 104.77; 90;  

COD ID: 1543867
CIF file Formula: - C6 H13 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 4315.2
Cell parameters: 28.516; 5.2346; 32.233; 90; 116.25; 90;  

COD ID: 1543868
CIF file Formula: - C6 H13 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 742.66
Cell parameters: 9.5327; 5.2545; 14.959; 90; 97.628; 90;  

COD ID: 1543869
CIF file Formula: - C6 H13 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 782.1
Cell parameters: 9.5633; 5.2287; 15.674; 90; 93.695; 90;  

COD ID: 1543870
CIF file Formula: - C6 H13 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 801.5
Cell parameters: 9.6033; 5.2223; 15.983; 90; 90.916; 90;  

COD ID: 1543871
CIF file Formula: - C6 H13 N O2 -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: C 1 2 1
Cell volume: 817.3
Cell parameters: 9.648; 5.252; 16.561; 90; 103.11; 90;  

COD ID: 1543872
CIF file Formula: - C5 H11 N O2 S -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 751.18
Cell parameters: 9.5118; 5.1936; 15.3419; 90; 97.635; 90;  

COD ID: 1543873
CIF file Formula: - C5 H11 N O2 S -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 768.19
Cell parameters: 9.5473; 5.183; 15.583; 90; 94.98; 90;  

COD ID: 1543874
CIF file Formula: - C5 H11 N O2 S -
Comments: Görbitz, Carl Henrik; Karen, Pavel; Dušek, Michal; Petříček, Václav An exceptional series of phase transitions in hydrophobic amino acids with linear side chains IUCrJ 3(5) (2016)
Space group: P 1 21 1
Cell volume: 791.3
Cell parameters: 9.588; 5.203; 16.101; 90; 99.869; 90;  

COD ID: 1543899
CIF file Formula: - Cr2 Cu O4 -
Comments: Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ 3(5) (2016)
Space group: I 41/a m d :2
Cell volume: 282.777
Cell parameters: 6.0287; 6.0287; 7.7803; 90; 90; 90;  

COD ID: 1543900
CIF file Formula: - Cr2 Mg O4 -
Comments: Tarantino, Serena C.; Giannini, Mattia; Carpenter, Michael A.; Zema, Michele Cooperative Jahn‒Teller effect and the role of strain in the tetragonal-to-cubic phase transition in Mg<i>~x~</i>Cu~1{ηskip0.16667em~{-}{ηskip0.16667em}<i>x</i>}Cr~2~O~4~ IUCrJ 3(5) (2016)
Space group: F d -3 m :2
Cell volume: 577.76
Cell parameters: 8.3288; 8.3288; 8.3288; 90; 90; 90;  

COD ID: 1543918
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 6316
Cell parameters: 25.058; 14.038; 18.102; 90; 97.313; 90;  

COD ID: 1543919
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 6060.4
Cell parameters: 24.7872; 13.8653; 17.7857; 90; 97.493; 90;  

COD ID: 1543920
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5867.5
Cell parameters: 24.641; 13.7018; 17.5317; 90; 97.572; 90;  

COD ID: 1543921
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5671
Cell parameters: 24.29; 13.584; 17.379; 90; 98.51; 90;  

COD ID: 1543922
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5586
Cell parameters: 24.215; 13.516; 17.266; 90; 98.7; 90;  

COD ID: 1543923
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: P 1 21/n 1
Cell volume: 5270.3
Cell parameters: 23.765; 13.396; 16.789; 90; 99.58; 90;  

COD ID: 1543924
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: P 1 21/c 1
Cell volume: 10377
Cell parameters: 26.529; 13.396; 31.094; 90; 110.11; 90;  

COD ID: 1543925
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 15163
Cell parameters: 37.163; 13.417; 30.421; 90; 88.48; 90;  

COD ID: 1543926
CIF file Formula: - C48 H83 Au6 N18 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: P 1 21/n 1
Cell volume: 4947.3
Cell parameters: 23.3975; 13.301; 16.1373; 90; 99.901; 90;  

COD ID: 1543927
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 6256
Cell parameters: 24.316; 14.341; 20.951; 90; 121.105; 90;  

COD ID: 1543928
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5734.5
Cell parameters: 23.7794; 14.0552; 20.087; 90; 121.333; 90;  

COD ID: 1543929
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5587.6
Cell parameters: 23.6575; 13.9552; 19.838; 90; 121.445; 90;  

COD ID: 1543930
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5474
Cell parameters: 23.5723; 13.8758; 19.647; 90; 121.589; 90;  

COD ID: 1543931
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5298.1
Cell parameters: 23.4383; 13.7533; 19.341; 90; 121.812; 90;  

COD ID: 1543932
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5256.2
Cell parameters: 23.4449; 13.6963; 19.285; 90; 121.92; 90;  

COD ID: 1543933
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5155.3
Cell parameters: 23.364; 13.6258; 19.112; 90; 122.08; 90;  

COD ID: 1543934
CIF file Formula: - C24 H42 Au3 N9 -
Comments: Woodall, Christopher H.; Christensen, Jeppe; Skelton, Jonathan M.; Hatcher, Lauren E.; Parlett, Andrew; Raithby, Paul R.; Walsh, Aron; Parker, Stephen C.; Beavers, Christine M.; Teat, Simon J.; Intissar, Mourad; Reber, Christian; Allan, David R. Observation of a re-entrant phase transition in the molecular complex tris(μ~2~-3,5-diisopropyl-1,2,4-triazolato-κ^2^<i>N</i>^1^:<i>N</i>^2^)trigold(I) under high pressure IUCrJ 3(5) (2016)
Space group: C 1 2/c 1
Cell volume: 5072.7
Cell parameters: 23.3195; 13.5632; 18.951; 90; 122.188; 90;  

COD ID: 1544208
CIF file Formula: - C20 H24 -
Comments: Maynard-Casely, H.E.; Hodyss, R.; Cable, M.L.; Vu, T.H.; Rahm, M. A co-crystal between benzene and ethane, an potential evaporite material for Saturn's moon Titan IuCrJ 3 (2016) 192-199
Space group: R -3 :H
Cell volume: 1233.82
Cell parameters: 15.97714; 15.97714; 5.581157; 90; 90; 120;  

COD ID: 1544300
CIF file Formula: - C12 H8 N2 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: F d d d :2
Cell volume: 1888
Cell parameters: 9.2584; 12.936; 15.764; 90; 90; 90;  

COD ID: 1544301
CIF file Formula: - C26 H18 N2 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: P 1 21/c 1
Cell volume: 926.28
Cell parameters: 22.1029; 5.6277; 7.5548; 90; 99.707; 90;  

COD ID: 1544302
CIF file Formula: - C20 H12 N2 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: P n a 21
Cell volume: 1448.2
Cell parameters: 17.7436; 10.851; 7.5217; 90; 90; 90;  

COD ID: 1544303
CIF file Formula: - C20 H16 N2 O2 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: P 1 21/c 1
Cell volume: 792.5
Cell parameters: 14.957; 4.8702; 11.199; 90; 103.719; 90;  

COD ID: 1544304
CIF file Formula: - C18 H22 N4 O4 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: P -1
Cell volume: 455.51
Cell parameters: 7.7923; 7.9651; 8.4455; 102.627; 95.961; 114.174;  

COD ID: 1544305
CIF file Formula: - C20 H20 N2 O0 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: P n a 21
Cell volume: 1562.2
Cell parameters: 21.105; 6.5848; 11.241; 90; 90; 90;  

COD ID: 1544306
CIF file Formula: - C16 H16 N2 O2 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: P 1 21/c 1
Cell volume: 654.19
Cell parameters: 7.4431; 3.9111; 22.7679; 90; 99.239; 90;  

COD ID: 1544307
CIF file Formula: - C12 H12 N9 O2.75 -
Comments: Bajpai, Alankriti; Scott, Hayley S.; Pham, Tony; Chen, Kai-Jie; Space, Brian; Lusi, Matteo; Perry, Miranda L.; Zaworotko, Michael J. Towards an understanding of the propensity for crystalline hydrate formation by molecular compounds IUCrJ 3(6) (2016)
Space group: C 1 2/c 1
Cell volume: 6056
Cell parameters: 38.9915; 6.9971; 29.1584; 90; 130.424; 90;  

COD ID: 1545809
CIF file Formula: - C32 H36 N4 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P 1 21/n 1
Cell volume: 1405.8
Cell parameters: 7.8566; 21.336; 8.3872; 90; 90.911; 90;  

COD ID: 1545810
CIF file Formula: - C30 H34 N2 O4 S2 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P 1 21/n 1
Cell volume: 1371.1
Cell parameters: 7.7971; 22.217; 7.9179; 90; 91.479; 90;  

COD ID: 1545811
CIF file Formula: - C43 H49 N5 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 969
Cell parameters: 7.409; 8.781; 15.36; 81.63; 86.57; 78.64;  

COD ID: 1545812
CIF file Formula: - C29 H30 N2 O2 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P 1 21/c 1
Cell volume: 2357
Cell parameters: 7.5571; 24.125; 12.9363; 90; 92.034; 90;  

COD ID: 1545813
CIF file Formula: - C34 H38 N2 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P 1 21/n 1
Cell volume: 1446.6
Cell parameters: 8.292; 20.615; 8.47; 90; 92.435; 90;  

COD ID: 1545814
CIF file Formula: - C44 H46 N6 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 924.6
Cell parameters: 7.485; 8.797; 14.171; 96.618; 93.306; 91.826;  

COD ID: 1545815
CIF file Formula: - C42 H44 N4 O4 S2 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 916.5
Cell parameters: 7.492; 9.069; 13.643; 98.069; 92.516; 91.428;  

COD ID: 1545816
CIF file Formula: - C90 H96 N10 O8 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 1919.9
Cell parameters: 7.3795; 8.8871; 29.533; 89.495; 84.054; 85.281;  

COD ID: 1545817
CIF file Formula: - C75 H73 N8 O6 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 1524
Cell parameters: 7.478; 8.739; 23.37; 92.36; 90.29; 93.131;  

COD ID: 1545818
CIF file Formula: - C46 H48 N4 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 942
Cell parameters: 7.528; 8.948; 14.11; 96.219; 94.61; 90.598;  

COD ID: 1545819
CIF file Formula: - C44 H48 N6 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 931.9
Cell parameters: 7.4957; 8.7882; 14.308; 97.049; 94.334; 91.781;  

COD ID: 1545820
CIF file Formula: - C42 H46 N4 O4 S2 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 937
Cell parameters: 7.531; 9.026; 13.941; 98.18; 92.03; 91.235;  

COD ID: 1545821
CIF file Formula: - C75 H75 N8 O6 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 1533.34
Cell parameters: 7.4611; 8.7285; 23.6219; 92.85; 91.347; 93.317;  

COD ID: 1545822
CIF file Formula: - C77 H79 N8 O5 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 1537.18
Cell parameters: 7.4709; 8.7326; 23.6381; 92.857; 91.317; 93.293;  

COD ID: 1545823
CIF file Formula: - C77 H77 N6 O6 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 1554.77
Cell parameters: 7.4914; 8.8265; 23.583; 92.722; 92.976; 91.626;  

COD ID: 1545824
CIF file Formula: - C46 H50 N4 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 948.9
Cell parameters: 7.5407; 8.9198; 14.284; 96.506; 96.093; 90.634;  

COD ID: 1545825
CIF file Formula: - C27 H38 N2 O2 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P 1 21/c 1
Cell volume: 2428
Cell parameters: 8.356; 24.894; 11.744; 90; 96.324; 90;  

COD ID: 1545826
CIF file Formula: - C50 H52 N4 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 1028.8
Cell parameters: 7.546; 9.4647; 14.8318; 85.58; 77.14; 86.77;  

COD ID: 1545827
CIF file Formula: - C42 H48 N6 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 938
Cell parameters: 7.324; 8.723; 15.107; 82.27; 88.73; 78.76;  

COD ID: 1545828
CIF file Formula: - C31 H30 N2 O2 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P 1 21/c 1
Cell volume: 2409.8
Cell parameters: 8.0059; 24.903; 12.0892; 90; 91.065; 90;  

COD ID: 1545829
CIF file Formula: - C44 H50 N4 O4 -
Comments: Mir, Niyaz A.; Dubey, Ritesh; Desiraju, Gautam R. Four- and five-component molecular solids: crystal engineering strategies based on structural inequivalence IUCrJ 3(2) (2016) 96-101
Space group: P -1
Cell volume: 985
Cell parameters: 7.195; 8.865; 15.981; 80.52; 84.2; 79.19;  

COD ID: 1545830
CIF file

Original IUCr paper

 Formula: - C9 H11 N5 O4 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P 1 21/n 1
Cell volume: 1345.7
Cell parameters: 4.9138; 33.192; 8.3659; 90; 99.52; 90;  

COD ID: 1545831
CIF file

Original IUCr paper

 Formula: - C14 H16 N6 O5 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P -1
Cell volume: 916.19
Cell parameters: 6.8501; 11.3563; 12.3387; 82.288; 81.856; 75.804;  

COD ID: 1545832
CIF file

Original IUCr paper

 Formula: - C10 H19 N5 O5 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P -1
Cell volume: 792.65
Cell parameters: 4.9969; 11.6983; 14.6244; 70.868; 81.892; 80.262;  

COD ID: 1545833
CIF file

Original IUCr paper

 Formula: - C5 H9 N4 O3.5 S2.5 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: C 1 2/c 1
Cell volume: 4322
Cell parameters: 52.62; 4.816; 17.814; 90; 106.785; 90;  

COD ID: 1545834
CIF file

Original IUCr paper

 Formula: - C10 H13 N5 O4 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P 1 c 1
Cell volume: 2124
Cell parameters: 11.3972; 18.1641; 10.338; 90; 97.046; 90;  

COD ID: 1545835
CIF file

Original IUCr paper

 Formula: - C10 H12 N6 O4 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P -1
Cell volume: 737.2
Cell parameters: 5.1477; 10.8147; 14.2604; 69.797; 85.463; 81.889;  

COD ID: 1545836
CIF file

Original IUCr paper

 Formula: - C15 H17 N7 O5 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P -1
Cell volume: 977.14
Cell parameters: 7.0347; 10.2539; 13.7934; 81.685; 83.028; 88.283;  

COD ID: 1545837
CIF file

Original IUCr paper

 Formula: - C10 H15 N5 O6 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P -1
Cell volume: 775.22
Cell parameters: 7.7872; 10.213; 10.2464; 88.192; 76.587; 77.996;  

COD ID: 1545838
CIF file

Original IUCr paper

 Formula: - C14 H24 N6 O5 S2 -
Comments: Bolla, Geetha; Nangia, Ashwini Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides IUCrJ 3(2) (2016) 152-160
Space group: P 1 21/c 1
Cell volume: 1969.88
Cell parameters: 9.66166; 23.4685; 8.84352; 90; 100.773; 90;  

COD ID: 1545839
CIF file Formula: - C38 H52 N6 O4 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 897.56
Cell parameters: 8.8712; 10.1819; 11.2862; 114.633; 93.749; 101;  

COD ID: 1545840
CIF file Formula: - C120 H160 N16 O17 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: C 1 2/c 1
Cell volume: 2893
Cell parameters: 15.533; 8.564; 21.8; 90; 93.873; 90;  

COD ID: 1545841
CIF file Formula: - C36 H48 N6 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P 1 21/c 1
Cell volume: 3622.9
Cell parameters: 15.6084; 13.4786; 17.2209; 90; 90.2; 90;  

COD ID: 1545842
CIF file Formula: - C64 H56 N4 O4 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1212
Cell parameters: 9.0005; 10.0381; 14.4894; 108.432; 101.78; 90.484;  

COD ID: 1545843
CIF file Formula: - C29 H31 N3 O2 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1199.2
Cell parameters: 8.9943; 9.5169; 14.927; 74.162; 77.589; 89.115;  

COD ID: 1545844
CIF file Formula: - C62 H54 N6 O4 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1206.5
Cell parameters: 9.034; 9.889; 14.505; 107.761; 101.019; 91.432;  

COD ID: 1545845
CIF file Formula: - C54 H54 N6 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1116.4
Cell parameters: 8.6332; 9.0194; 14.869; 105.2; 91.263; 91.519;  

COD ID: 1545846
CIF file Formula: - C44 H44 N6 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 950.9
Cell parameters: 7.812; 8.763; 14.3; 95.009; 95.415; 101.04;  

COD ID: 1545847
CIF file Formula: - C56 H56 N6 O8 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1176.1
Cell parameters: 10.151; 11.2084; 12.3363; 102.012; 105.153; 112.368;  

COD ID: 1545848
CIF file Formula: - C38 H46 N4 O4 S2 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 903.5
Cell parameters: 8.662; 10.289; 11.523; 65.003; 76.93; 80.277;  

COD ID: 1545849
CIF file Formula: - C24 H23 N2 O2 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 989.5
Cell parameters: 8.971; 10.078; 11.666; 109.665; 94.353; 90.742;  

COD ID: 1545850
CIF file Formula: - C42 H58 N4 O4 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P 1 21/c 1
Cell volume: 1939.7
Cell parameters: 11.4579; 11.8325; 14.9792; 90; 107.229; 90;  

COD ID: 1545851
CIF file Formula: - C46 H44 N6 O4 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1933
Cell parameters: 8.983; 12.712; 17.561; 89.485; 76.291; 82.933;  

COD ID: 1545852
CIF file Formula: - C23 H22 N3 O2 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 956.7
Cell parameters: 8.778; 10.491; 12.095; 66.387; 81.548; 69.631;  

COD ID: 1545853
CIF file Formula: - C46 H50 N4 O4 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 944.3
Cell parameters: 8.921; 10.723; 10.954; 67.417; 81.183; 78.367;  

COD ID: 1545854
CIF file Formula: - C40 H48 N6 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 915
Cell parameters: 8.284; 8.564; 14.6; 78.65; 87.26; 64.4;  

COD ID: 1545855
CIF file Formula: - C44 H40 N6 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1850
Cell parameters: 9.012; 11.241; 18.355; 94.296; 93.207; 92.248;  

COD ID: 1545856
CIF file Formula: - C56 H48 N8 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P -1
Cell volume: 1127.3
Cell parameters: 7.576; 9.081; 16.503; 96.651; 90.601; 91.433;  

COD ID: 1545857
CIF file Formula: - C44 H46 N4 O6 -
Comments: Dubey, Ritesh; Mir, Niyaz A.; Desiraju, Gautam R. Quaternary cocrystals: combinatorial synthetic strategies based on long-range synthon Aufbau modules (LSAM) IUCrJ 3(2) (2016) 102-107
Space group: P 1 21/c 1
Cell volume: 1891.2
Cell parameters: 8.876; 11.941; 17.98; 90; 97.072; 90;  

COD ID: 1545858
CIF file Formula: - C66 H84 I6 N12 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 15103
Cell parameters: 34.376; 15.0832; 29.6413; 90; 100.675; 90;  

COD ID: 1545859
CIF file Formula: - C73.5 H78.76 I6 N12 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 15821.6
Cell parameters: 35.0725; 14.8911; 30.9658; 90; 101.956; 90;  

COD ID: 1545860
CIF file Formula: - C285 H317 I24 N48 O15 Zn12 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: P 1 21 1
Cell volume: 16430.2
Cell parameters: 32.8072; 14.9123; 34.9062; 90; 105.822; 90;  

COD ID: 1545861
CIF file Formula: - C61.47 H64.79 I6.01 N12 O4.06 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 15397
Cell parameters: 34.4746; 15.0255; 30.1535; 90; 99.681; 90;  

COD ID: 1545862
CIF file Formula: - C75 H72 I6 N12 O10.5 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 16472.2
Cell parameters: 34.1414; 14.5641; 34.9597; 90; 108.633; 90;  

COD ID: 1545863
CIF file Formula: - C67 H66 I6 N12 O9 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 15596.7
Cell parameters: 34.9043; 14.955; 30.3469; 90; 100.074; 90;  

COD ID: 1545864
CIF file Formula: - C69.69 H80.8 I6 N14.11 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 16179.1
Cell parameters: 36.8116; 14.6974; 30.6993; 90; 103.07; 90;  

COD ID: 1545865
CIF file Formula: - C58.32 H48.8 I6 N14.2 O6.61 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 14266.7
Cell parameters: 32.5791; 15.2458; 29.0346; 90; 98.398; 90;  

COD ID: 1545866
CIF file Formula: - C64.44 H65.6 I6 N12 O1.48 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 15693.4
Cell parameters: 35.1288; 14.767; 30.8649; 90; 101.432; 90;  

COD ID: 1545867
CIF file Formula: - C120.9 H108 I11.99 N24 O12.59 Zn5.99 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: P -1
Cell volume: 7364.6
Cell parameters: 14.8292; 17.9234; 29.9062; 96.836; 93.529; 110.142;  

COD ID: 1545868
CIF file Formula: - C123 H113.6 I12 N24 O12.14 Zn6 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: P -1
Cell volume: 7355
Cell parameters: 14.8303; 17.913; 29.8943; 96.803; 93.488; 110.229;  

COD ID: 1545869
CIF file Formula: - C123 H112.85 I11.99 N24 O12.39 Zn5.99 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: P -1
Cell volume: 7355
Cell parameters: 14.8303; 17.913; 29.8943; 96.803; 93.488; 110.229;  

COD ID: 1545870
CIF file Formula: - C71.25 H57.96 Br1.92 I6 N12 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 16294.2
Cell parameters: 35.8691; 14.8864; 31.2823; 90; 102.711; 90;  

COD ID: 1545871
CIF file Formula: - C60.92 H58.15 I6 N12 O5.89 Zn3 -
Comments: Hoshino, Manabu; Khutia, Anupam; Xing, Hongzhu; Inokuma, Yasuhide; Fujita, Makoto The crystalline sponge method updated IUCrJ 3(2) (2016) 139-151
Space group: C 1 2/c 1
Cell volume: 15399.6
Cell parameters: 34.0465; 14.9235; 30.8377; 90; 100.629; 90;  

COD ID: 1556808
CIF file Formula: - C12 H14 Cl2 N2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P -1
Cell volume: 594.58
Cell parameters: 6.5705; 7.6756; 12.6098; 85.165; 76.785; 73.868;  

COD ID: 1556809
CIF file Formula: - C12 H14 Cl2 N2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P -1
Cell volume: 594.58
Cell parameters: 6.5705; 7.6756; 12.6098; 85.165; 76.785; 73.868;  

COD ID: 1556810
CIF file Formula: - C6 H7 Cl N -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P -1
Cell volume: 595.5
Cell parameters: 6.5742; 7.6702; 12.636; 85.26; 76.735; 73.823;  

COD ID: 1556811
CIF file Formula: - C12 H14 Cl2 N2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P -1
Cell volume: 594.593
Cell parameters: 6.57; 7.676; 12.61; 85.17; 76.79; 73.87;  

COD ID: 1556812
CIF file Formula: - C12 H14 Cl2 N2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P -1
Cell volume: 594.593
Cell parameters: 6.57; 7.676; 12.61; 85.17; 76.79; 73.87;  

COD ID: 1556813
CIF file Formula: - C20 H14 Cl4 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21 1
Cell volume: 1613.19
Cell parameters: 13.551; 8.0183; 14.8834; 90; 94.021; 90;  

COD ID: 1556814
CIF file Formula: - C20 H14 Cl4 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21 1
Cell volume: 1613.19
Cell parameters: 13.551; 8.0183; 14.8834; 90; 94.021; 90;  

COD ID: 1556815
CIF file Formula: - C22 H16 Cl2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21 1
Cell volume: 1628.9
Cell parameters: 13.589; 8.0415; 14.943; 90; 93.998; 90;  

COD ID: 1556816
CIF file Formula: - C14 H24 Cl2 N2 O2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21/n 1
Cell volume: 1736.1
Cell parameters: 10.085; 9.811; 17.915; 90; 101.639; 90;  

COD ID: 1556817
CIF file Formula: - C14 H24 Cl2 N2 O2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21/n 1
Cell volume: 1736.1
Cell parameters: 10.085; 9.811; 17.915; 90; 101.639; 90;  

COD ID: 1556818
CIF file Formula: - C14 H24 Cl2 N2 O2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21/n 1
Cell volume: 1736.1
Cell parameters: 10.085; 9.811; 17.915; 90; 101.639; 90;  

COD ID: 1556819
CIF file Formula: - C14 H24 Cl2 N2 O2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21/n 1
Cell volume: 1736.13
Cell parameters: 10.085; 9.811; 17.915; 90; 101.64; 90;  

COD ID: 1556820
CIF file Formula: - C14 H24 Cl2 N2 O2 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 1 21/n 1
Cell volume: 1736.13
Cell parameters: 10.085; 9.811; 17.915; 90; 101.64; 90;  

COD ID: 1556821
CIF file Formula: - C20 H30 Fe -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: C m c e
Cell volume: 1722.6
Cell parameters: 15.0905; 11.4741; 9.9484; 90; 90; 90;  

COD ID: 1556822
CIF file Formula: - C20 H30 Fe -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: C m c e
Cell volume: 1722.6
Cell parameters: 15.0905; 11.4741; 9.9484; 90; 90; 90;  

COD ID: 1556823
CIF file Formula: - C20 H30 Fe -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: C m c e
Cell volume: 1731.7
Cell parameters: 15.119; 11.492; 9.967; 90; 90; 90;  

COD ID: 1556824
CIF file Formula: - C20 H14 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 21 21 21
Cell volume: 1344.27
Cell parameters: 8.0798; 8.1645; 20.3778; 90; 90; 90;  

COD ID: 1556825
CIF file Formula: - C20 H14 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 21 21 21
Cell volume: 1344.27
Cell parameters: 8.0798; 8.1645; 20.3778; 90; 90; 90;  

COD ID: 1556826
CIF file Formula: - C20 H14 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 21 21 21
Cell volume: 1356.8
Cell parameters: 8.1019; 8.1922; 20.442; 90; 90; 90;  

COD ID: 1556827
CIF file Formula: - C20 H14 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 21 21 21
Cell volume: 1344.4
Cell parameters: 8.08; 8.165; 20.378; 90; 90; 90;  

COD ID: 1556828
CIF file Formula: - C20 H14 -
Comments: Sanjuan-Szklarz, W Fabiola; Hoser, Anna A.; Gutmann, Matthias; Madsen, Anders Østergaard; Woźniak, Krzysztof Yes, one can obtain better quality structures from routine X-ray data collection. IUCrJ 3(Pt 1) (2016) 61-70
Space group: P 21 21 21
Cell volume: 1344.4
Cell parameters: 8.08; 8.165; 20.378; 90; 90; 90;  


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All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.