# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-13T07:30:37+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystal Growth & Design') AND volume = 3 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"4500000","32.531","0.005","5.2697","0.0008","24.159","0.004","90","","98.191","0.003","90","","4099.3","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 N2 O7 -","- C24 H18 N2 O7.07 -","- C192 H144 N16 O56.56 -","8","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1857","0.1556","","","0.348","0.3607","","","","","","1.284","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500001","34.355","0.008","5.3795","0.0013","23.654","0.006","90","","93.952","0.006","90","","4361.2","1.8","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H40 N6 O16 -","- C47 H34 N6 O15.5 -","- C188 H136 N24 O62 -","4","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1197","0.0619","","","0.1477","0.1763","","","","","","0.991","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500002","5.2031","0.0009","14.741","0.002","17.882","0.003","90","","98.132","0.003","90","","1357.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0986","0.0533","","","0.1116","0.1268","","","","","","0.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500003","7.3985","0.0015","8.9054","0.0018","11.873","0.002","95.809","0.003","93.401","0.004","101.362","0.003","760.5","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1104","0.0768","","","0.2089","0.2669","","","","","","1.665","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500004","5.1206","0.0004","15.7136","0.0013","18.4986","0.0015","90","","96.546","0.001","90","","1478.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0634","0.0492","","","0.1279","0.1335","","","","","","1.006","","","","has coordinates","258736","2020-11-05","08:57:04",""
"4500005","10.3335","0.0018","27.611","0.005","4.996","0.0009","90","","102.275","0.003","90","","1392.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 N4 O4 -","- C36 H28 N4 O4 -","- C72 H56 N8 O8 -","2","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0659","0.0545","","","0.1358","0.1427","","","","","","1.068","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4500006","18.388","0.004","12.682","0.003","16.429","0.003","90","","100.491","0.006","90","","3767.1","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 N4 O10 -","- C44 H40 N4 O10 -","- C176 H160 N16 O40 -","4","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0667","0.0433","","","0.0861","0.0913","","","","","","0.889","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500007","9.1567","0.0012","10.1745","0.0013","10.5116","0.0014","72.85","0.002","70.288","0.002","67.269","0.002","834.91","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C38 H40 N4 O6 -","2","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0678","0.0499","","","0.1137","0.1213","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500008","5.1077","0.0011","16.057","0.003","17.752","0.004","73.711","0.003","89.35","0.003","88.636","0.003","1397.1","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O2 -","- C16 H15 N3 O2 -","- C64 H60 N12 O8 -","4","2","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0932","0.0766","","","0.1633","0.1806","","","","","","1.021","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500009","7.3254","0.0019","8.889","0.002","12.208","0.003","94.84","0.005","94.926","0.005","100.048","0.005","775.8","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O4 S2 -","- C34 H36 N4 O4 S2 -","- C34 H36 N4 O4 S2 -","1","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.1176","0.0795","","","0.2173","0.2376","","","","","","1.166","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500010","5.0961","0.0008","17.595","0.003","19.647","0.003","90","","90.917","0.003","90","","1761.4","0.5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N4 O2 -","- C21 H18 N4 O2 -","- C84 H72 N16 O8 -","4","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0803","0.0522","","","0.1037","0.1124","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500011","29.191","0.016","4.962","0.003","20.316","0.011","90","","92.105","0.008","90","","2941","3","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 N4 O4 -","- C38 H30 N4 O4 -","- C152 H120 N16 O16 -","4","0.5","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0424","0.0351","","","0.0898","0.0931","","","","","","1.026","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500012","7.514","0.0011","10.4538","0.0015","12.6826","0.0018","83.642","0.002","85.697","0.002","75.411","0.002","957","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O4 S -","- C22 H17 N3 O4 S -","- C44 H34 N6 O8 S2 -","2","1","","Scott G. Fleischman; Srinivasan S. Kuduva; Jennifer A. McMahon; Brian Moulton; Rosa D. Bailey Walsh; Naír Rodríguez-Hornedo; Michael J. Zaworotko","Crystal Engineering of the Composition of Pharmaceutical Phases: Multiple-Component Crystalline Solids Involving Carbamazepine","Crystal Growth & Design","2003","3","6","909","919","10.1021/cg034035x","","","0.71073","MoKα","","0.0562","0.0458","","","0.1142","0.1204","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505638","11.8931","0.0001","11.8931","0.0001","11.8931","0.0001","90","","90","","90","","1682.23","0.02","293","2","293","2","","","","","","","","8","I 2 3","I 2 2 3","197","","","","- C24 H24 Cd5 Cl K0 Na3 O24 Zn0 -","- C4 H4 Cd0.833333 Cl0.166667 Na0.5 O4 -","- C48 H48 Cd10 Cl2 Na6 O48 -","12","0.5","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters","Crystal Growth & Design","2003","3","1","47","","10.1021/cg0200309","","","0.71073","MoKα","","0.0205","0.018","","0.0467","0.0448","","","","1.229","1.23","1.23","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505639","11.8526","0.0001","11.8526","0.0001","11.8526","0.0001","90","","90","","90","","1665.1","0.02","293","2","293","2","","","","","","","","6","I 2 3","I 2 2 3","197","","","","- C24 H24 Br Cd5 Na3 O24 -","- C4 H4 Br0.166667 Cd0.833333 Na0.5 O4 -","- C48 H48 Br2 Cd10 Na6 O48 -","12","0.5","","Vaidhyanathan, R.; Natarajan, Srinivasan; Rao, C. N. R.","Open-Framework Cadmium Succinates with Interpenetrating Frameworks Formed by Tetrahedral [ClCd4O24] and [BrCd4O24] Clusters","Crystal Growth & Design","2003","3","1","47","","10.1021/cg0200309","","","0.71073","MoKα","","0.0543","0.0543","","0.1391","0.1391","","","","1.186","1.186","1.186","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505640","10.278","0.005","25.507","0.005","17.398","0.005","90","0.005","99.581","0.005","90","0.005","4497","3","293","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H54 Cu2 Mo N16 O10.5 -","- C28 H54 Cu2 Mo N16 O10.5 -","- C112 H216 Cu8 Mo4 N64 O42 -","4","1","","Larionova, Joulia; Clérac, Rodolphe; Donnadieu, Bruno; Willemin, Stephanie; Guérin, Christian","Synthesis and Structure of a Two-Dimensional Cyano-Bridged Coordination Polymer [Cu(cyclam)]2[Mo(CN)8]·10.5H2O (Cyclam = 1,4,8,11-Tetraazacyclodecane)","Crystal Growth & Design","2003","3","2","267","","10.1021/cg020048j","","","0.71073","MoKα","","0.1233","0.0938","","","0.2391","0.2613","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505641","9.271","0.0019","3.811","0.0008","23.632","0.005","90","","100.15","0.03","90","","821.9","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N2 O -","- C10 H6 N2 O -","- C40 H24 N8 O4 -","4","1","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.1433","0.0467","","","0.1044","0.1338","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505642","14.7555","0.0017","5.2827","0.0006","18.856","0.002","90","","111.445","0.002","90","","1368","0.3","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.0613","0.0529","","","0.1209","0.1243","","","","","","1.493","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505643","4.836","0.001","13.042","0.003","32.438","0.007","90","","92.94","0.03","90","","2043.2","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C88 H64 N16 O16 -","8","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.3034","0.0672","","","0.1527","0.2358","","","","","","0.908","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505644","9.199","0.0018","13.98","0.003","16.125","0.003","90","","100.09","0.03","90","","2041.6","0.7","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 N2 O2 -","- C11 H8 N2 O2 -","- C88 H64 N16 O16 -","8","2","","Timofeeva, Tatiana V.; Kuhn, Genevieve H.; Nesterov, Volodymyr V.; Nesterov, Vladimir N.; Frazier, Donald O.; Penn, Benjamin G.; Antipin, Mikhail Yu.","Cocrystal of 1,1-Dicyano-2-(4-hydroxyphenyl)-ethene withl-Proline and Induced Conformational Polymorphism of 1,1-Dicyano-2-(4-hydroxy- 3-methoxyphenyl)-ethene","Crystal Growth & Design","2003","3","3","383","","10.1021/cg0200513","","","0.71073","MoKα","","0.1337","0.0624","","","0.1501","0.184","","","","","","1.14","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505645","5.0785","0.0004","6.1923","0.0005","5.3869","0.0005","90","","113.346","0.003","90","","155.54","0.02","150","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Ferrari, Elena S.; Davey, Roger J.; Cross, Wendy I.; Gillon, Amy L.; Towler, Christopher S.","Crystallization in Polymorphic Systems: The Solution-Mediated Transformation of β to α Glycine","Crystal Growth & Design","2003","3","1","53","","10.1021/cg025561b","","x-ray","0.71073","MoKα","","0.0469","0.0409","","","0.1001","0.1028","","","","","","1.015","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505646","10.076","0.002","11.782","0.001","10.599","0.002","90","","114.99","0.01","90","","1140.5","0.3","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","2","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.032","","","","","","3.13","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505647","21.3075","0.0009","5.7687","0.0008","10.172","0.0008","90","","111.954","0.004","90","","1159.64","0.19","296.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.03","","","","","","3.39","","","","has coordinates","193991","2020-10-21","18:00:00",""
"4505648","5.6823","0.0007","25.2337","0.0006","8.7846","0.0008","90","","92.939","0.01","90","","1257.9","0.2","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.042","","","","","","5.7","","","","has coordinates","193991","2020-10-21","18:00:00",""
"4505649","14.9","0.002","5.743","0.001","15.803","0.001","90","","115.555","0.006","90","","1220","0.3","296.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.0822","","","","","","4.538","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505650","8.554","0.003","24.382","0.003","5.903","0.002","90","","90","","90","","1231.2","0.6","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.032","","","","","","2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505651","20.817","0.003","5.835","0.003","11.104","0.002","90","","113.83","0.01","90","","1233.8","0.7","296.2","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C56 H72 O8 -","4","1","","Kitamura, Masato; Nakano, Keiji","Cycloalkanone-Based Threo and Erythro Aldols as Supramolecular Synthons in Crystal Engineering","Crystal Growth & Design","2003","3","1","25","","10.1021/cg025575h","","","1.5418","CuKα","","","0","","","","0.031","","","","","","2.01","","","","has coordinates","193991","2020-10-21","18:00:00",""
"4505652","2.7603","0.0001","2.7603","0.0001","4.3275","0.0006","90","","90","","120","","28.555","0.004","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Cu0.68 Ge0.02 Sn0.3 -","- Cu0.44 Ge0 Sn0.569 -","- Cu0.88 Ge0 Sn1.138 -","2","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.0321","0.0305","","","0.0762","0.0797","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505653","2.9491","0.0006","2.9491","0.0006","4.7734","0.0014","90","","90","","120","","35.953","0.015","293","2","293","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Ag0.72 Ge0.02 Sn0.26 -","- Ag0.7 Sn0.3 -","- Ag1.4 Sn0.6 -","2","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.0204","0.0204","","","0.0487","0.0487","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505654","10.4959","0.0006","10.4959","0.0006","10.4959","0.0006","90","","90","","90","","1156.27","0.11","93","2","93","2","","","","","","","","5","F 2 3","F 2 2 3","196","","","","- Ge H3 N O8 Sn6 -","- Ge H3 N O8 Sn6 -","- Ge4 H12 N4 O32 Sn24 -","4","0.0833333","","Purdy, Andrew P.; Case, Sean; George, Clifford","Ammonothermal Crystal Growth of Germanium and Its Alloys: Synthesis of a Hollow Metallic Crystal","Crystal Growth & Design","2003","3","2","121","","10.1021/cg025590m","","","0.71073","MoKα","","0.055","0.0535","","","0.1291","0.1299","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505655","10.1756","0.0011","5.7319","0.0006","10.034","0.001","90","","98.042","0.007","90","","579.48","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinamide : form I","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0494","0.0395","","","0.0986","0.1042","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505656","15.735","0.003","7.9976","0.0018","9.885","0.003","90","","105.586","0.017","90","","1198.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","isonicotinamide : form II","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","2","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0528","0.0437","","","0.1185","0.1252","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505657","20.445","0.004","5.2309","0.0009","23.008","0.004","90","","96.981","0.003","90","","2442.4","0.8","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","2-hexenoic acid : isonicotinamide","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C96 H128 N16 O24 -","8","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1129","0.0736","","","0.1794","0.1969","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505658","20.512","0.004","5.1675","0.001","23.694","0.005","90","","90.66","0.03","90","","2511.3","0.9","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","isonicotinamide : 4-nitrobenzoic acid","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C104 H88 N24 O40 -","8","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0678","0.0432","","","0.1097","0.12","","","","","","0.978","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505659","7.7628","0.0011","8.7216","0.0012","15.7426","0.0019","93.483","0.002","98.981","0.003","93.913","0.002","1047.6","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","3,5-dinitrobenzoic acid : isonicotinamide : 4-toluic acid","","- C21 H18 N4 O9 -","- C21 H18 N4 O9 -","- C42 H36 N8 O18 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0839","0.0433","","","0.1052","0.1209","","","","","","0.883","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505660","11.786","0.003","5.1614","0.0013","19.975","0.005","90","","95.275","0.005","90","","1210","0.5","301","2","301","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-amino-5-nitropyrimidine : 2-amino-3-nitropyridine","","- C9 H9 N7 O4 -","- C9 H9 N7 O4 -","- C36 H36 N28 O16 -","4","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1112","0.0555","","","0.1433","0.189","","","","","","0.966","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505661","7.2458","0.0011","8.626","0.0013","13.2806","0.0019","92.566","0.003","101.875","0.003","109.472","0.003","760","0.2","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","4-Chlorobenzamide : 3,5-Dinitrobenzoic acid","","- C14 H10 Cl N3 O7 -","- C14 H10 Cl N3 O7 -","- C28 H20 Cl2 N6 O14 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0724","0.0452","","","0.1021","0.1141","","","","","","0.934","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505662","7.1732","0.0013","8.3689","0.0017","12.997","0.003","88.638","0.004","80.875","0.004","77.463","0.004","751.9","0.3","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","4-Chlorobenzamide : 3-Dimethylaminobenzoic acid","","- C16 H17 Cl N2 O3 -","- C16 H17 Cl N2 O3 -","- C32 H34 Cl2 N4 O6 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.1014","0.0545","","","0.1277","0.1513","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505663","9.2674","0.0008","10.1386","0.0009","10.4805","0.001","86.428","0.006","72.174","0.006","89.506","0.007","935.58","0.15","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","2(4-Chlorobenzamide) : Fumaric acid","","- C18 H16 Cl2 N2 O6 -","- C18 H16 Cl2 N2 O6 -","- C36 H32 Cl4 N4 O12 -","2","1","","Aakeröy, Christer B.; Beatty, Alicia M.; Helfrich, Brian A.; Nieuwenhuyzen, Mark","Do Polymorphic Compounds Make Good Cocrystallizing Agents? A Structural Case Study that Demonstrates the Importance of Synthon Flexibility","Crystal Growth & Design","2003","3","2","159","","10.1021/cg025593z","","","0.71073","MoKα","","0.0546","0.0389","","","0.1003","0.1082","","","","","","0.958","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505664","8.2623","0.0018","8.3431","0.0017","12.144","0.003","76.523","0.004","83.988","0.004","73.782","0.004","781","0.3","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O2 -","- C17 H16 Cl N3 O2 -","- C34 H32 Cl2 N6 O4 -","2","1","","Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.","Maize 1: A Trimorphic Azo Pigment","Crystal Growth & Design","2003","3","6","1021","","10.1021/cg025610k","","","0.71073","MoKα","","0.0623","0.042","","","0.1149","0.1256","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505665","7.953","0.003","11.194","0.004","18.708","0.007","72.621","0.006","86.105","0.006","89.93","0.006","1585.5","1","158","2","158","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O2 -","- C17 H16 Cl N3 O2 -","- C68 H64 Cl4 N12 O8 -","4","2","","Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.","Maize 1: A Trimorphic Azo Pigment","Crystal Growth & Design","2003","3","6","1021","","10.1021/cg025610k","","","0.71073","MoKα","","0.0515","0.0374","","","0.088","0.094","","","","","","1.033","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505666","8.338","0.003","14.312","0.005","14.95","0.005","106.184","0.005","102.148","0.006","100.392","0.006","1619.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cl N3 O2 -","- C17 H16 Cl N3 O2 -","- C68 H64 Cl4 N12 O8 -","4","2","","Price, Christopher P.; Grzesiak, Adam L.; Kampf, Jeff W.; Matzger, Adam J.","Maize 1: A Trimorphic Azo Pigment","Crystal Growth & Design","2003","3","6","1021","","10.1021/cg025610k","","","0.71073","MoKα","","0.0848","0.0632","","","0.1857","0.2016","","","","","","1.052","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505667","7.1475","0.0002","28.7276","0.001","10.7856","0.0004","90","","93.829","0.002","90","","2209.67","0.13","150","1","150","1","","","","","","","","6","C 1 c 1","C -2yc","9","","bis(acetonitrile) silver(I) cobalt(III) bis(dicarbollide)","","- C8 H26 Ag B18 Co N2 -","- C8 H28 Ag B18 Co N2 -","- C32 H112 Ag4 B72 Co4 N8 -","4","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71073","MoKα","","0.0542","0.0404","","","0.0883","0.0934","","","","","","1.04","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505668","20.8368","0.0002","14.8687","0.0002","10.8352","0.0001","90","","99.651","0.004","90","","3309.41","0.07","150","1","150","1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","acetonitrile-aquo-cyclotriveratrylene-silver(I) cobalt(III) bis(dicarbollide) cyclotriveratrylene","","- C60 H87 Ag B18 Co N O13 -","- C60 H82 Ag B18 Co N O13 -","- C120 H164 Ag2 B36 Co2 N2 O26 -","2","0.25","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71069","MoKα","","0.114","0.1089","","","0.2708","0.2763","","","","","","1.149","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505669","13.0734","0.0001","13.72","0.0002","15.2873","0.0002","81.817","0.001","80.249","0.001","68.822","0.001","2510.07","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","tris(acetonitrile)cyclotriveratrylenesilver(I) cobalt(III) bis(dicarbollide) acetonitrile clathrate","","- C38 H62.5 Ag B18 Co N3.5 O6 -","- C38 H61 Ag B18 Co N3.5 O6 -","- C76 H122 Ag2 B36 Co2 N7 O12 -","2","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.7107","MoKα","","0.0519","0.0405","","","0.1104","0.1181","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505670","12.3042","0.0001","12.9172","0.0001","17.4093","0.0002","75.765","0.001","85.195","0.001","85.813","0.001","2668.64","0.04","100","1","100","1","","","","","","","","7","P -1","-P 1","2","","tetra(acetonitrile) silver(I) cobalt(III) bis(dicarbollide) cyclotriveratrylene acetonitrile clathrate","","- C39.5 H64.75 Ag B18 Co N4.25 O6 -","- C39.5 H64 Ag B18 Co N4.25 O6 -","- C79 H128 Ag2 B36 Co2 N8.5 O12 -","2","1","","Ahmad, Ruksanna; Hardie, Michaele J.","Variable Ag(I) Coordination Modes in Silver Cobalt(III) Bis(dicarbollide) Supramolecular Assemblies with Cyclotriveratrylene Host Molecules","Crystal Growth & Design","2003","3","4","493","","10.1021/cg025613x","","","0.71073","MoKα","","0.0891","0.0529","","","0.142","0.1609","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505671","17.4002","0.0013","11.1573","0.0007","17.4202","0.0013","90","","113.479","0.005","90","","3101.9","0.4","223","2","223","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C32 H18 Ag F3 N4 O8 S -","- C32 H18 Ag F3 N4 O8 S -","- C128 H72 Ag4 F12 N16 O32 S4 -","4","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.052","0.0394","","","0.0763","0.0799","","","","","","1.034","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505672","25.5147","0.0008","15.7026","0.0006","28.2414","0.0009","90","","113.896","0.002","90","","10345","0.6","218","2","218","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H75 Ag3 B3 F12 N9 O14 -","- C105 H75 Ag3 B3 F12 N9 O14 -","- C420 H300 Ag12 B12 F48 N36 O56 -","4","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.1273","0.0776","","","0.1995","0.2353","","","","","","1.053","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505673","8.1274","0.0002","15.7754","0.0006","14.0542","0.0005","90","","103.267","0.002","90","","1753.84","0.1","140","2","140","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C36 H27 Ag F6 N3 O5 P -","- C36 H27 Ag F6 N3 O5 P -","- C72 H54 Ag2 F12 N6 O10 P2 -","2","1","","Pigge, F. Christopher; Burgard, Michael D.; Rath, Nigam P.","1,3,5-Triaroylbenzenes as Ligands: Synthesis and Characterization of Three New Coordination Polymers from the Tritopic Ligand 1,3,5-Tris(4,4‘,4‘ ‘-tricyanobenzoyl)benzene and Ag(I)X (X = OSO2CF3, BF4, or PF6)","Crystal Growth & Design","2003","3","3","331","","10.1021/cg025614p","","","0.71073","MoKα","","0.1072","0.07","","","0.1703","0.1988","","","","","","1.059","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505674","9.8102","0.0014","10.0076","0.0013","12.8246","0.0014","103.151","0.008","97.03","0.009","98.851","0.01","1195.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(35DBP)2Cu10Br22","Bis(3,5-dibromopyridinium)duoeicosobromodecacuprate(II)","","- C5 H4 Br13 Cu5 N -","- C5 H4 Br13 Cu5 N -","- C10 H8 Br26 Cu10 N2 -","2","1","","Haddad, Salim; Awwadi, Firas; Willett, Roger D.","A Planar Bibridged Cu10Br222-Oligomer: Dimensional Reduction and Recombination of the CuBr2Lattice via the N−H···Br-and the C−Br···Br-Synthons","Crystal Growth & Design","2003","3","4","501","","10.1021/cg030009n","","","0.71073","MoKα","","0.1307","0.0577","","","0.1235","0.1547","","","","","","0.963","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505675","17.1533","0.0006","24.0768","0.0009","23.5407","0.0009","90","","102.194","0.001","90","","9502.9","0.6","90","2","90","2","","","","","","","","5","P 1 n 1","P -2yac","7","C60^.^μ-O[Fe(OEP)]~2~^.^benzene","","","- C138 H94 Fe2 N8 O -","- C138 H94 Fe2 N8 O -","- C552 H376 Fe8 N32 O4 -","4","2","","Lee, Hon Man; Olmstead, Marilyn M.; Gross, Garrett G.; Balch, Alan L.","Cocrystallization of Binuclear Iron(III) Porphyrins with C60: Bending of μ-O{FeIII(Octaethylporphyrin)} and the First Structure of the Iron(III) Octaethyloxophlorin Dimer","Crystal Growth & Design","2003","3","5","691","","10.1021/cg030013z","","","0.71073","MoKα","","0.0819","0.0541","","","0.1139","0.1258","","","","","","1.007","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505676","13.9535","0.0014","14.3027","0.0014","18.0856","0.0018","89.645","0.002","73.061","0.002","78.488","0.002","3378.1","0.6","90","2","90","2","","","","","","","","5","P -1","-P 1","2","2C60^.^{Fe(OEPO)}~2~^.^4benzene","","","- C216 H110 Fe2 N8 O2 -","- C216 H110 Fe2 N8 O2 -","- C216 H110 Fe2 N8 O2 -","1","0.5","","Lee, Hon Man; Olmstead, Marilyn M.; Gross, Garrett G.; Balch, Alan L.","Cocrystallization of Binuclear Iron(III) Porphyrins with C60: Bending of μ-O{FeIII(Octaethylporphyrin)} and the First Structure of the Iron(III) Octaethyloxophlorin Dimer","Crystal Growth & Design","2003","3","5","691","","10.1021/cg030013z","","","0.71073","MoKα","","0.1439","0.0624","","","0.1341","0.159","","","","","","0.853","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505677","24.665","0.003","24.665","0.003","30.702","0.004","90","","90","","120","","16176","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.84)","","- C106.84 H82.84 Cl14.53 Co3 N6 O12 -","- C106.838 H82.838 Cl14.514 Co3 N6 O12 -","- C641.028 H497.028 Cl87.084 Co18 N36 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.1027","0.0573","","","0.1505","0.1703","","","","","","0.984","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505678","24.613","0.003","24.613","0.003","30.349","0.004","90","","90","","120","","15922","3","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-cobalt(II), clathrate with Chloroform (1:4.11)","","- C106.1 H82.1 Cl12.29 Co3 N6 O12 -","- C106.096 H82.096 Cl12.288 Co3 N6 O12 -","- C636.576 H492.576 Cl73.728 Co18 N36 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.136","0.08","","","0.2021","0.2338","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4505679","12.02","0.002","3.8803","0.0006","38.285","0.006","90","","97.7","0.01","90","","1769.6","0.5","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,4-Bis(3-phenyl-1,3-propanedion)benzene, stable form","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","0.5","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.0813","0.0732","","","0.1772","0.182","","","","","","1.113","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505680","10.161","0.002","7.453","0.001","12.178","0.002","90","","103.79","0.01","90","","895.7","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Bis(3-phenyl-1,3-propanedion)benzene, stable form","","- C24 H18 O4 -","- C24 H18 O4 -","- C48 H36 O8 -","2","0.5","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.0453","0.0404","","","0.1197","0.124","","","","","","1.062","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505681","24.64","0.004","24.64","0.004","30.549","0.005","90","","90","","120","","16062","5","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","Tris(mu!2$-(1,4-bis(3-phenyl-1,3-propanediono)benzene))-hexapyridine-tri-nickel(II), clathrate with Chloroform (1:4.68)","","- C106.68 H82.68 Cl14.04 N6 Ni3 O12 -","- C106.678 H82.678 Cl14.034 N6 Ni3 O12 -","- C640.068 H496.068 Cl84.204 N36 Ni18 O72 -","6","0.333333","","Soldatov, D. V.; Zanina, A. S.; Enright, G. D.; Ratcliffe, C. I.; Ripmeester, J. A.","A New Bridging Chelating Ligand for Crystal Engineering: Synthesis, Polymorphism, and Two Modes of Assembly of 1,4-Bis(3-phenyl-1,3-propanedion)benzene with Metal Cations Resulting in Either Discrete or Polymeric Complexes","Crystal Growth & Design","2003","3","6","1005","","10.1021/cg030016b","","","0.71073","MoKα","","0.1304","0.0581","","","0.1353","0.1562","","","","","","0.871","","","","has coordinates,has disorder","179591","2020-10-21","18:00:00",""
"4505682","7.136","0.0005","8.9258","0.0007","10.2314","0.0007","95.699","0.005","108.631","0.005","91.813","0.006","613.09","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","1","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0311","0.0246","","","0.0609","0.0622","","","","","","1.006","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505683","19.293","0.004","9.546","0.0019","15.771","0.003","90","","121.774","0.006","90","","2469.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H12 F4 I2 N2 -","- C28 H12 F4 I2 N2 -","- C112 H48 F16 I8 N8 -","4","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.053","0.0492","","","0.0861","0.0869","","","","","","1.112","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505684","3.816","0.002","25.504","0.013","7.767","0.004","90","","93.988","0.009","90","","754.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C44 H24 N4 -","2","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.1033","0.0856","","","0.1345","0.142","","","","","","1.096","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505685","7.362","0.001","19.278","0.004","4.2134","0.0005","94.07","0.01","98.13","0.01","97.22","0.01","584.88","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","- C24 H12 I4 N2 -","1","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0693","0.0599","","","0.1514","0.1555","","","","","","1.205","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505686","4.023","0.002","7.54","0.004","20.239","0.011","80.96","0.03","85.29","0.03","84","0.03","601.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F4 I2 N2 -","- C28 H12 F4 I2 N2 -","- C28 H12 F4 I2 N2 -","1","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.1633","0.1471","","","0.2818","0.2916","","","","","","1.19","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505687","18.7594","0.0005","7.2538","0.0011","12.0581","0.0009","90","","101.771","0.001","90","","1606.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H16 F8 I2 N4 -","- C32 H16 F8 I2 N4 -","- C64 H32 F16 I4 N8 -","2","0.5","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0801","0.0469","","","0.1076","0.126","","","","","","1.188","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505688","7.479","0.002","11.186","0.002","17.454","0.004","81.88","0.014","87.58","0.02","79.74","0.012","1422.2","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H8 F8 I4 N2 -","- C26 H8 F8 I4 N2 -","- C52 H16 F16 I8 N4 -","2","1","","Crihfield, April; Hartwell, Joshua; Phelps, Dustin; Walsh, Rosa Bailey; Harris, Jeffery L.; Payne, John F.; Pennington, William T.; Hanks, Timothy W.","Crystal Engineering through Halogen Bonding. 2. Complexes of Diacetylene-Linked Heterocycles with Organic Iodides","Crystal Growth & Design","2003","3","3","313","","10.1021/cg0340042","","","0.71073","MoKα","","0.0812","0.0671","","","0.1362","0.1454","","","","","","1.082","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505689","7.403","0.001","17.561","0.001","10.275","0.001","90","","107.201","0.004","90","","1276","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C13 H10 Co0.5 N5 S -","- C13 H10 Co0.5 N5 S -","- C52 H40 Co2 N20 S4 -","4","0.5","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.1121","0.0513","","","0.1415","0.1829","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505690","17.868","0.001","18.614","0.001","7.794","0.001","90","","90","","90","","2592.2","0.4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C13 H10 Co0.5 N5 S -","- C13 H10 Co0.5 N5 S -","- C104 H80 Co4 N40 S8 -","8","","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.1058","0.043","","","0.1143","0.1798","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505691","11.123","0.001","9.217","0.001","12.868","0.001","90","","95.967","0.002","90","","1312.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Co0.5 N6 S -","- C12 H9 Co0.5 N6 S -","- C48 H36 Co2 N24 S4 -","4","1","","Son, Seung Uk; Park, Kang Hyun; Kim, Bo Yun; Chung, Young Keun","Construction of Cylindrical Nanotubular Materials by Self-Assembly of Co(NCS)2with Bent-Building Blocks Having Diimidazole Rings","Crystal Growth & Design","2003","3","4","507","","10.1021/cg034010y","","","0.71073","MoKα","","0.0617","0.0368","","","0.1016","0.1404","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505692","15.025","0.0002","13.434","0.0003","6.742","0.0005","90","","97.575","0.0011","90","","1348.97","0.11","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Ag N5 O3 -","- C12 H10 Ag N5 O3 -","- C48 H40 Ag4 N20 O12 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0372","0.026","","","0.0578","0.0623","","","","","","1.008","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505693","8.273","0.0002","9.115","0.0002","23.483","0.0007","90","","92.115","0.0009","90","","1769.61","0.08","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Ag Cl N4 O5 -","- C15 H18 Ag Cl N4 O5 -","- C60 H72 Ag4 Cl4 N16 O20 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0684","0.0517","","","0.1287","0.1355","","","","","","1.071","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505694","13.689","0.0001","15.624","0.0001","22.147","0.0002","90","","90","","90","","4736.73","0.06","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Ag2 B2 F8 N8 O2 -","- C43 H52 Ag2 B2 F8 N8 O2 -","- C172 H208 Ag8 B8 F32 N32 O8 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0264","0.0227","","","0.0554","0.0574","","","","","","0.982","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505695","11.474","0.0001","15.117","0.0002","33.857","0.0005","90","","90","","90","","5872.58","0.13","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Ag2 Cl2 N6 O8 -","- C22 H34 Ag2 Cl2 N6 O8 -","- C176 H272 Ag16 Cl16 N48 O64 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.7107","MoKα","","0.0435","0.0299","","","0.066","0.0712","","","","","","1.037","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505696","20.361","0.0005","12.998","0.0004","15.501","0.0007","90","","98.549","0.0014","90","","4056.8","0.2","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Ag1.5 Cl1.5 N4 O6 -","- C17 H20 Ag1.5 Cl1.5 N4 O6 -","- C136 H160 Ag12 Cl12 N32 O48 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.1142","0.0742","","","0.1563","0.1793","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505697","10.595","0.0003","10.595","0.0003","18.558","0.0004","90","","90","","90","","2083.21","0.09","110","2","110","2","","","","","","","","6","P -4 c 2","P -4 -2c","116","","","","- C19 H21.5 Ag0.5 F3 N4.5 P0.5 -","- C19.5 H20 Ag0.5 F3 N4 P0.5 -","- C78 H80 Ag2 F12 N16 P2 -","4","0.5","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0659","0.0429","","","0.1097","0.1221","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505698","24.094","0.0003","18.061","0.0002","17.902","0.0003","90","","119.257","0.0007","90","","6796.5","0.17","110","2","110","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C70 H60 Ag3 Cl3 N14 O12 -","- C70 H60 Ag3 Cl3 N14 O12 -","- C280 H240 Ag12 Cl12 N56 O48 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0525","0.0394","","","0.0866","0.094","","","","","","1.008","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505699","11.453","0.0003","11.453","0.0003","49.674","0.0013","90","","90","","90","","6515.8","0.3","110","2","110","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C68 H48 Ag Cl N12 O4 -","- C68 H48 Ag Cl N12 O5 -","- C272 H192 Ag4 Cl4 N48 O20 -","4","0.25","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0939","0.0657","","","0.1884","0.2163","","","","","","0.868","","","","has coordinates","179591","2020-10-21","18:00:00",""
"4505700","26.311","0.0005","9.331","0.0002","11.778","0.0003","90","","115.072","0.0009","90","","2619.13","0.1","110","2","110","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N6 -","- C34 H24 N6 -","- C136 H96 N24 -","4","0.5","","Patra, Goutam Kumar; Goldberg, Israel","Supramolecular Design of Coordination Complexes of Silver(I) with Polyimine Ligands: Synthesis, Materials Characterization, and Structure of New Polymeric and Oligomeric Materials","Crystal Growth & Design","2003","3","3","321","","10.1021/cg034011q","","","0.71073","MoKα","","0.0613","0.0428","","","0.1095","0.1207","","","","","","1.009","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505701","29.977","0.007","10.782","0.001","19.184","0.003","90","","92.81","0.02","90","","6193","1.8","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'-bis(9-hydroxy-9-fluorenyl)biphenyl, chloroform","","- C39 H27 Cl3 O2 -","- C39 H27 Cl3 O2 -","- C312 H216 Cl24 O16 -","8","1","","Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M.","Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest","Crystal Growth & Design","2003","3","4","541","","10.1021/cg034013a","","","1.5418","CuKα","","0.1316","0.0725","","","0.1852","0.2067","","","","","","1.031","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505702","29.741","0.006","13.62","0.002","18.123","0.003","90","","107.05","0.01","90","","7018","2","183","2","183","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,2'bis(9-hydroxy-9-fluorenyl)biphenyl, 2 chloroform","","- C40 H28 Cl6 O2 -","- C40 H28 Cl6 O2 -","- C320 H224 Cl48 O16 -","8","1","","Sumarna, Omay; Seidel, Jürgen; Weber, Edwin; Seichter, Wilhelm; Ibragimov, Bakhtiyar T.; Beketov, Kayrat M.","Crystal Structure, Thermal Decomposition Behavior, and Order−Disorder Transition of the Guest Component of Concomitant Pseudodimorphic Clathrates between 2,2‘-Bis(9-hydroxy-9-fluorenyl)biphenyl Host and Chloroform Guest","Crystal Growth & Design","2003","3","4","541","","10.1021/cg034013a","","","1.5418","CuKα","","0.1284","0.0748","","","0.2005","0.2201","","","","","","1.089","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505703","8.457","0.001","17.225","0.001","9.69","0.001","90","","112.22","0.01","90","","1306.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9.5 H9.5 Er O9.5 -","- C6 H15 Er O12 -","- C24 H60 Er4 O48 -","4","1","","Michaelides, Adonis; Skoulika, Stavroula; Bakalbassis, Evangelos G.; Mrozinski, Jerzy","Cyclic Water Hexamers and Decamers in a Porous Lanthanide−Organic Framework: Correlation between Some Physical Properties and Crystal Structure","Crystal Growth & Design","2003","3","4","487","","10.1021/cg034025w","","","0.71073","MoKα","","0.0376","0.0314","","","0.1043","0.1159","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505704","9.845","0.0013","24.574","0.003","4.0392","0.0005","90","","94.412","0.01","90","","974.3","0.2","295","2","295","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H9 Cl N6 O3 -","- C6 H9 Cl N6 O3 -","- C24 H36 Cl4 N24 O12 -","4","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71073","MoKα","","0.1005","0.0604","","","0.1571","0.1638","","","","","","1.029","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505705","12.6615","0.0017","10.93","0.002","9.8978","0.0019","63.737","0.014","98.955","0.013","113.111","0.012","1129.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl2 N6 O5 -","- C24 H16 Cl2 N6 O5 -","- C48 H32 Cl4 N12 O10 -","2","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71073","MoKα","","0.0599","0.0434","","","0.1269","0.1314","","","","","","1.012","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505706","8.987","0.002","8.997","0.002","22.177","0.002","95.714","0.013","91.701","0.014","90.42","0.02","1783.4","0.6","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N6 O10 -","- C36 H34 Cl2 Fe N6 O10 -","- C72 H68 Cl4 Fe2 N12 O20 -","2","1","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71069","MoKα","","0.1145","0.0558","","","0.1266","0.132","","","","","","0.972","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505707","13.2793","0.0045","13.5889","0.0034","9.2486","0.0026","90","","118.691","0.019","90","","1464","0.8","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H6 Cl2 O4 S4 -","- C12 H6 Cl2 O4 S4 -","- C48 H24 Cl8 O16 S16 -","4","0.5","","Kabir, Md. Khayrul; Tobita, Hiroshi; Matsuo, Hiroshi; Nagayoshi, Kunimitsu; Yamada, Koichi; Adachi, Keiichi; Sugiyama, Yuichi; Kitagawa, Susumu; Kawata, Satoshi","Crystal Engineering Using the Versatility of 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone with Organic and Metal Complex Partners","Crystal Growth & Design","2003","3","5","791","","10.1021/cg0340392","","","0.71069","MoKα","","0.0837","0.0365","","","0.082","0.0931","","","","","","1.11","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505708","17.1641","0.0002","17.1641","0.0002","7.2676","0.0001","90","","90","","90","","2141.08","0.05","226","","226","","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","Tetrakis(3-hydroxyphenyl)silane","","","- C24 H20 O4 Si -","- C24 H20 O4 Si -","- C96 H80 O16 Si4 -","4","0.25","","Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D.","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Crystal Growth & Design","2003","3","4","535","","10.1021/cg034043d","","","1.5418","CuKα","","0.0446","0.0445","","","0.1319","0.1321","","","","","","1.157","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505709","10.243","0.004","15.673","0.006","15.412","0.008","90","","100.86","0.04","90","","2429.9","1.9","223","2","223","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","Tetrakis(4-hydroxyphenyl)methane - ethyl acetate clathrate","","","- C29 H28 O6 -","- C29 H28 O6 -","- C116 H112 O24 -","4","1","","Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D.","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Crystal Growth & Design","2003","3","4","535","","10.1021/cg034043d","","","1.54178","CuKα","","0.0715","0.0584","","","0.174","0.1835","","","","","","1.117","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4505710","14.962","0.009","15.855","0.011","19.697","0.013","90","","111.49","0.05","90","","4348","5","210","2","210","2","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","tetrakis(4-hydroxyphenyl)silane - water clathrate","","","- C24 H22 O5 Si -","- C24 H22 O5 Si -","- C192 H176 O40 Si8 -","8","1","","Fournier, Jean-Hugues; Maris, Thierry; Simard, Michel; Wuest, James D.","Molecular Tectonics. Hydrogen-Bonded Networks Built from Tetraphenols Derived from Tetraphenylmethane and Tetraphenylsilane","Crystal Growth & Design","2003","3","4","535","","10.1021/cg034043d","","","1.54178","CuKα","","0.121","0.0784","","","0.1879","0.2049","","","","","","1.064","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505711","37.165","0.003","5.0701","0.0004","23.508","0.002","90","","101.754","0.002","90","","4336.7","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H72 N2 O4 -","- C44 H72 N2 O4 -","- C176 H288 N8 O16 -","4","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.177","0.0831","","","0.1409","0.1729","","","","","","1.05","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505712","13.5437","0.0003","10.0983","0.0002","15.0488","0.0001","90","","93.253","0.001","90","","2054.88","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H64 N2 O4 -","- C44 H64 N2 O4 -","- C88 H128 N4 O8 -","2","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1022","0.0609","","","0.1647","0.1891","","","","","","1.025","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505713","21.1142","0.0011","13.4289","0.0007","16.6656","0.0009","90","","95.151","0.001","90","","4706.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C51 H70 N2 O4 -","- C51 H70 N2 O4 -","- C204 H280 N8 O16 -","4","1","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.227","0.1034","","","0.3045","0.3756","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505714","6.1229","0.0005","13.001","0.001","29.596","0.002","90","","92.197","0.001","90","","2354.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H72 N2 O4 -","- C52 H72 N2 O4 -","- C104 H144 N4 O8 -","2","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1322","0.0818","","","0.1541","0.1758","","","","","","1.134","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505715","7.9247","0.0005","10.2438","0.0007","16.805","0.001","103.332","0.002","93.4","0.002","108.454","0.002","1246.19","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H76 N2 O4 -","- C54 H76 N2 O4 -","- C54 H76 N2 O4 -","1","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1867","0.1188","","","0.2247","0.2591","","","","","","1.152","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505716","22.47","0.002","9.0645","0.0008","19.9526","0.0018","90","","123.935","0.002","90","","3371.7","0.5","223","2","223","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N2 O4 -","- C42 H36 N2 O4 -","- C168 H144 N8 O16 -","4","0.5","","Feng, Zheng; Fan, Ailong; Valiyaveettil, Suresh; Vittal, Jagadese J.","Interplay of Weak Interactions and Structural Features in the Solid State Self-Assembly of Symmetric Diamides","Crystal Growth & Design","2003","3","4","555","","10.1021/cg034045y","","","0.71073","MoKα","","0.1067","0.0573","","","0.1511","0.1724","","","","","","1.059","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505717","11.0067","0.0001","11.8485","0.0001","19.9299","0.0002","90","","94.444","0.001","90","","2591.3","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,2-bis(4-pyridyl)ethane","","- C27 H30 N3 O6 -","- C27 H30 N3 O6 -","- C108 H120 N12 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","1.54178","CuKα","","0.1023","0.0866","","","0.2522","0.2753","","","","","","1.095","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505718","8.2623","0.0006","8.2625","0.0007","37.064","0.003","90","","90","","90","","2530.3","0.3","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","cis,cis-1,3,5-cyclohexanetricarboxylic acid - 1,4-bis(2-(4-pyridyl)ethyl)benzene","","- C29 H32 N2 O6 -","- C29 H32 N2 O6 -","- C116 H128 N8 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.0585","0.0503","","","0.1073","0.1148","","","","","","1.162","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505719","12.43","0.003","5.0616","0.001","22.779","0.005","90","","90.41","0.03","90","","1433.1","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-Cyclohexane tricarboxylate - 1,4-bis(4-pyridinium)ethylene","","- C15 H17 N O6 -","- C15 H17 N O6 -","- C60 H68 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.1195","0.0565","","","0.1088","0.1411","","","","","","1.09","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505720","4.7854","0.001","14.251","0.003","24.648","0.005","90","","95.48","0.03","90","","1673.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3,5-cyclohexanetricarboxylate - 1,4-bis(2-(4-pyridinium)ethenyl)benzene","","- C19 H20 N O6 -","- C19 H20 N O6 -","- C76 H80 N4 O24 -","4","1","","Bhogala, Balakrishna R.; Nangia, Ashwini","Cocrystals of 1,3,5-Cyclohexanetricarboxylic Acid with 4,4‘-Bipyridine Homologues: Acid···Pyridine Hydrogen Bonding in Neutral and Ionic Complexes","Crystal Growth & Design","2003","3","4","547","","10.1021/cg034047i","","","0.71073","MoKα","","0.1288","0.0493","","","0.0925","0.126","","","","","","1.061","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505721","8.0056","0.0009","10.0879","0.0012","28.566","0.002","90.016","0.009","91.989","0.008","90.023","0.009","2305.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Fe0.5 N O3 -","- C26 H30 Fe0.5 N O3 -","- C104 H120 Fe2 N4 O12 -","4","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0625","0.0428","","","0.1045","0.1161","","","","","","1.087","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505722","10.6119","0.0008","16.01","0.002","16.438","0.002","64.011","0.012","76.227","0.008","74.387","0.008","2394.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Fe N2 O6 -","- C54 H64 Fe N2 O6 -","- C108 H128 Fe2 N4 O12 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.1371","0.0574","","","0.1174","0.1429","","","","","","1.002","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505723","10.512","0.0011","10.6129","0.0013","11.9898","0.0017","99.491","0.011","104.692","0.01","92.19","0.009","1271.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Fe N2 O4 -","- C32 H26 Fe N2 O4 -","- C64 H52 Fe2 N4 O8 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0939","0.0528","","","0.1197","0.1365","","","","","","1.051","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505724","9.4041","0.0018","9.801","0.003","16.376","0.005","91.8","0.02","102.506","0.019","106.834","0.019","1403.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 Fe N2 O6 -","- C32 H26 Fe N2 O6 -","- C64 H52 Fe2 N4 O12 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71069","MoKα","","0.1374","0.0753","","","0.1881","0.2267","","","","","","1.066","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505725","9.4294","0.0005","11.1365","0.0005","14.5979","0.0008","71.618","0.003","76.482","0.003","82.086","0.003","1411.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Fe N2 O4 -","- C34 H30 Fe N2 O4 -","- C68 H60 Fe2 N4 O8 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.079","0.0546","","0.1493","0.1334","","","","1.073","1.119","1.119","","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505726","9.396","0.001","10.246","0.001","16.126","0.001","99.329","0.004","101.505","0.005","106.72","0.005","1416.6","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C68 H64 Fe2 N4 O10 -","- C68 H62 Fe2 N4 O10 -","- C68 H62 Fe2 N4 O10 -","1","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0962","0.078","","","0.1816","0.1975","","","","","","1.075","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505727","10.238","","10.514","","14.621","0.001","76.225","0.002","85.982","0.002","63.954","0.002","1372.26","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Fe N2 O4 -","- C34 H30 Fe N2 O4 -","- C68 H60 Fe2 N4 O8 -","2","1","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.0617","0.0456","","0.1568","0.1298","","","","1.168","1.066","1.066","","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505728","27.972","0.001","19.622","0.001","17.275","0.001","90","","112.206","0.002","90","","8778.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C98 H88 Fe3 N6 O16 -","- C98 H88 Fe3 N6 O16 -","- C392 H352 Fe12 N24 O64 -","4","0.5","","Lee, In Su; Shin, Dong Mok; Chung, Young Keun","Self-Assembly of Organometallic−Organic Hybrid Supramolecular Arrays from Ferrocenyl Dipyridines and Aromatic Carboxylic Acids","Crystal Growth & Design","2003","3","4","521","","10.1021/cg0340695","","","0.71073","MoKα","","0.147","0.0475","","","0.0782","0.0959","","","","","","0.827","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505729","14.9113","0.0001","6.034","0.0001","20.8815","0.0003","90","","110.365","0.001","90","","1761.37","0.04","100","2","100","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas","Polymorphism in 2-4-6 Trinitrotoluene","Crystal Growth & Design","2003","3","6","1027","","10.1021/cg0340704","","","0.71073","MoKα","","0.0517","0.0353","","","0.0854","0.092","","","","","","1.034","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505730","14.91","0.002","6.0341","0.0018","19.68","0.004","90","","90","","90","","1770.6","0.7","123","2","123","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H5 N3 O6 -","- C7 H5 N3 O6 -","- C56 H40 N24 O48 -","8","2","","Vrcelj, Ranko M.; Sherwood, John N.; Kennedy, Alan R.; Gallagher, Hugh G.; Gelbrich, Thomas","Polymorphism in 2-4-6 Trinitrotoluene","Crystal Growth & Design","2003","3","6","1027","","10.1021/cg0340704","","","0.71069","MoKα","","0.0459","0.0309","","","0.0784","0.0842","","","","","","1.031","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505731","26.021","0.0004","25.774","0.0004","8.346","0.0001","90","","98.301","0.0008","90","","5538.73","0.14","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H43 K4 N5 O15 Pd -","- C48 H36 K4 N4 O14 Pd -","- C192 H144 K16 N16 O56 Pd4 -","4","0.5","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0453","0.036","","","0.0902","0.0944","","","","","","1.058","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505732","26.161","0.0006","25.768","0.0006","8.332","0.0001","90","","97.593","0.0015","90","","5567.49","0.19","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H41 K4 N5 O14 Pt -","- C48 H36 K4 N4 O14 Pt -","- C192 H144 K16 N16 O56 Pt4 -","4","0.5","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0396","0.0328","","","0.0797","0.0825","","","","","","1.021","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505733","12.874","0.0002","13.079","0.0002","16.471","0.0004","86.193","0.0006","85.954","0.0006","80.815","0.0007","2726.7","0.09","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pd -","- C66 H44 Cu1.5 N7 Na1.5 O9 Pd -","- C132 H88 Cu3 N14 Na3 O18 Pd2 -","2","1","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0913","0.0532","","","0.1041","0.1194","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505734","12.924","0.0003","13.137","0.0002","16.6","0.0005","85.575","0.0008","85.426","0.0008","80.098","0.0009","2761.78","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C65.5 H43.5 Cu1.5 N7.5 Na1.5 O9 Pt -","- C66 H44 Cu1.5 N7 Na1.5 O9 Pt -","- C132 H88 Cu3 N14 Na3 O18 Pt2 -","2","1","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0801","0.0521","","","0.1053","0.1165","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505735","16.194","0.0008","35.132","0.0013","6.693","0.0003","90","","106.638","0.002","90","","3648.4","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C48 H68 Cu2 N16 O12 Pt -","- C48 H68 Cu2 N16 O12 Pt -","- C96 H136 Cu4 N32 O24 Pt2 -","2","0.25","","Shmilovits, Michaela; Diskin-Posner, Yael; Vinodu, Mikki; Goldberg, Israel","Crystal Engineering of “Porphyrin Sieves” Based on Coordination Polymers of Pd- and Pt-tetra(4-carboxyphenyl)porphyrin","Crystal Growth & Design","2003","3","5","855","","10.1021/cg034071w","","","0.71073","MoKα","","0.0841","0.0581","","","0.1443","0.1582","","","","","","1.024","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505736","6.9928","0.0002","20.6631","0.001","11.7695","0.0005","90","","98.699","0.002","90","","1681.05","0.12","296","","296","","","","","","","","crystallized in-house from material from Sigma (USA)","6","P 1 21/n 1","-P 2yn","14","vitamine B1","3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium chloride monohydrochloride'","","- C12 H20 Cl2 N4 O2 S -","- C12 H18 Cl2 N4 O2 S -","- C48 H72 Cl8 N16 O8 S4 -","4","1","","Te, Ruth L.; Griesser, Ulrich J.; Morris, Kenneth R.; Byrn, Stephen R.; Stowell, Joseph G.","X-ray Diffraction and Solid-State NMR Investigation of the Single-Crystal to Single-Crystal Dehydration of Thiamine Hydrochloride Monohydrate","Crystal Growth & Design","2003","3","6","997","","10.1021/cg0340749","","","0.71073","MoKα","","","0.049","","","","0.138","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505737","7.0994","0.0006","19.808","0.002","11.6378","0.0011","90","","101.529","0.006","90","","1603.5","0.3","263","","263","","","","","","","","crystallized in-house from material from Sigma (USA)","6","P 1 21/n 1","-P 2yn","14","vitamine B1","3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4- methylthiazolium chloride monohydrochloride'","","- C12 H18 Cl2 N4 O S -","- C12 H18 Cl2 N4 O S -","- C48 H72 Cl8 N16 O4 S4 -","4","1","","Te, Ruth L.; Griesser, Ulrich J.; Morris, Kenneth R.; Byrn, Stephen R.; Stowell, Joseph G.","X-ray Diffraction and Solid-State NMR Investigation of the Single-Crystal to Single-Crystal Dehydration of Thiamine Hydrochloride Monohydrate","Crystal Growth & Design","2003","3","6","997","","10.1021/cg0340749","","","0.71073","MoKα","","","0.064","","","","0.17","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505738","16.526","0.002","10.3837","0.0014","12.3259","0.0017","90","","130.402","0.002","90","","1610.7","0.4","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","","cyclo-bis(4-cyano-7-methoxy-2-aminoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C60 H76 N8 O14 S6 -","2","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0415","0.036","","","0.0963","0.0996","","","","","","0.989","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505739","11.042","0.004","6.121","0.002","13.549","0.005","90","","104.805","0.007","90","","885.3","0.5","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R,S)-Cyclo-[phenylalanine-(2-amino-7-cyano -4-methoxyindan-2-carboxylic acid)","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0714","0.0471","","","0.0951","0.1041","","","","","","0.944","","","","has coordinates","192776","2020-10-21","18:00:00",""
"4505740","10.9128","0.0012","6.0767","0.0007","13.7533","0.0015","90","","94.08","0.002","90","","909.72","0.18","170","2","170","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(S,S)-Cyclo-[phenylalanine-(2-amino-7-cyano -4-methoxyindan-2-carboxylic acid)","","- C21 H19 N3 O3 -","- C21 H19 N3 O3 -","- C42 H38 N6 O6 -","2","1","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.087","0.0478","","","0.0985","0.1124","","","","","","0.934","","","","has coordinates","192776","2020-10-21","18:00:00",""
"4505741","16.4321","0.0011","10.3701","0.0007","12.2684","0.0008","90","","130.242","0.001","90","","1595.78","0.19","170","2","170","2","","","","","","","","5","C 1 2 1","C 2y","5","","(S,S)-Cyclo-bis(2-amino-4-methoxy-7-cyanoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C60 H76 N8 O14 S6 -","2","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0406","0.0339","","","0.0805","0.0836","","","","","","0.965","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505742","21.156","0.003","8.8635","0.001","18.64","0.002","90","","110.286","0.002","90","","3278.5","0.7","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(R,S)-Cyclo-bis(2-amino-7-cyanoindan-4-methoxy-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C120 H152 N16 O28 S12 -","4","0.5","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.0782","0.0449","","","0.1118","0.1242","","","","","","0.97","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505743","19.919","0.003","11.9916","0.0019","28.951","0.005","90","","108.562","0.003","90","","6555.5","1.8","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(R,R),(S,S)-Cyclo-bis(2-amino-4-methoxy-7-cyanoindan-2-carboxylic acid)","","- C30 H38 N4 O7 S3 -","- C30 H38 N4 O7 S3 -","- C240 H304 N32 O56 S24 -","8","2","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.1985","0.0675","","","0.1487","0.1879","","","","","","0.847","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505744","10.0589","0.0007","13.158","0.0009","15.7738","0.0011","70.127","0.001","76.419","0.001","78.161","0.001","1890.5","0.2","170","2","170","2","","","","","","","","5","P 1","P 1","1","","(S,S)-Cyclo-bis(2-amino-7-cyanoindan-4-methoxy-2-carboxylic acid)","","- C36 H48 N4 O6 S2 -","- C36 H48 N4 O6 S2 -","- C72 H96 N8 O12 S4 -","2","2","","Jagadish, Bhumasamudram; Carducci, Michael D.; Bosshard, Christian; Günter, Peter; Margolis, Jason I.; Williams, Lawrence J.; Mash, Eugene A.","Organic Crystal Engineering with Piperazine-2,5-diones. 4. Crystal Packing of Piperazinediones Derived from 2-Amino-7-cyano-4-methoxyindan-2-carboxylic Acid","Crystal Growth & Design","2003","3","5","811","","10.1021/cg0340751","","","0.71073","MoKα","","0.1282","0.0683","","","0.1616","0.1996","","","","","","1.013","","","","has coordinates,has disorder","192777","2020-10-21","18:00:00",""
"4505745","12.157","0.003","18.073","0.004","22.72","0.005","90","","90","","90","","4992","2","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C27 H8 F16 S2 -","- C27 H8 F16 S2 -","- C216 H64 F128 S16 -","8","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.0493","0.0352","","","0.0814","0.088","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505746","8.565","0.003","12.886","0.004","12.896","0.004","91.569","0.006","101.802","0.005","100.209","0.006","1368.2","0.8","143","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H11 F16 S2 -","- C30 H11 F16 S2 -","- C60 H22 F32 S4 -","2","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.0777","0.0479","","","0.1171","0.1379","","","","","","1.025","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505747","29.337","0.006","8.0513","0.0017","31.583","0.006","90","","117.188","0.004","90","","6636","2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C37 H16 F16 S2 -","- C37 H16 F16 S2 -","- C296 H128 F128 S16 -","8","1","","Morimoto, Masakazu; Kobatake, Seiya; Irie, Masahiro","Aryl−Perfluoroaryl Interaction in Photochromic Diarylethene Crystals","Crystal Growth & Design","2003","3","5","847","","10.1021/cg034076t","","","0.71073","MoKα","","0.1264","0.054","","","0.1108","0.1518","","","","","","1.009","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4505748","7.4343","0.0013","8.6973","0.0015","9.772","0.002","64.74","0.02","70.307","0.016","89.487","0.015","531.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(HNMe3)2, Ni(mnt)2","Bis(trimethylammonium), bis(dicyanoethylene-1,2-dithiolato)nickelate","","- C14 H20 N6 Ni S4 -","- C14 H20 N6 Ni S4 -","- C14 H20 N6 Ni S4 -","1","0.5","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","","0.71073","MoKα","","0.107","0.0412","","","0.0881","0.1027","","","","","","1.042","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505749","11.4302","0.0015","13.7495","0.0014","15.4235","0.0017","86.097","0.013","80.736","0.014","70.242","0.014","2251.3","0.5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","HNMe3, Ni(mnt)2","Trimethylammonium, bis(dicyanoethylene-1,2-dithiolato)nickelate ethanol solvate","","- C11.8 H12 N5 Ni O0.4 S4 -","- C11.8 H12 N5 Ni O0.4 S4 -","- C59 H60 N25 Ni5 O2 S20 -","5","2.5","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","x-ray","0.71073","MoKα","","0.123","0.0454","","","0.0962","0.1202","","","","","","0.681","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4505750","16.5462","0.0015","6.3851","0.0003","17.4351","0.0016","90","","118.047","0.01","90","","1625.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PyH, Ni(mnt)2","","","- C13 H6 N5 Ni S4 -","- C13 H6 N5 Ni S4 -","- C52 H24 N20 Ni4 S16 -","4","1","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","","0.71073","MoKα","","0.0589","0.0337","","","0.0642","0.0687","","","","","","0.893","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505751","8.9923","0.0008","15.603","0.0019","10.8481","0.001","90","","112.439","0.01","90","","1406.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ni(CNedt)2, Me3NH","bis(1-cyano-1,2-ethylenedithiolato)nickelate trimethylammonium","","- C9 H12 N3 Ni S4 -","- C9 H12 N3 Ni S4 -","- C36 H48 N12 Ni4 S16 -","4","1","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","","0.71073","MoKα","","0.0798","0.0304","","","0.04","0.0464","","","","","","0.723","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505752","8.5003","0.0018","9.2896","0.0019","10.054","0.002","83.58","0.03","76.04","0.03","81.09","0.03","758.9","0.3","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 N3 Ni S4 -","- C11 H8 N3 Ni S4 -","- C22 H16 N6 Ni2 S8 -","2","1","","Fourmigué, Marc; Mézière, Cécile; Dolou, Sébastien","Bifurcated Hydrogen Bonds as a Key Feature in the Solid State Organization of Paramagnetic Dithiolene Complexes","Crystal Growth & Design","2003","3","5","805","","10.1021/cg0340805","","x-ray","0.71073","MoKα","","","0.0455","","","","0.0967","","","","","","0.885","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505753","7.7352","0.0007","23.0212","0.0019","8.315","0.0007","90","","106.454","0.003","90","","1420","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","NB2","","","- C16 H15 N O6 -","- C16 H15 N O6 -","- C64 H60 N4 O24 -","4","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene","Crystal Growth & Design","2003","3","5","639","","10.1021/cg034082p","","","0.71073","MoKα","","0.1065","0.0691","","","0.1222","0.1335","","","","","","1.139","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505754","23.306","0.002","8.0979","0.0007","15.7049","0.0014","90","","98.781","0.003","90","","2929.2","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","NB1","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C128 H120 N8 O40 -","8","1","","Barooah, Nilotpal; Sarma, Rupam J.; Baruah, Jubaraj B.","Adducts of 2-Hydroxyethylphthalimide with 1,3-Dihydroxybenene and 1,3,5-Trihydroxybenzene","Crystal Growth & Design","2003","3","5","639","","10.1021/cg034082p","","","0.71073","MoKα","","0.0681","0.0445","","","0.1","0.1084","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4505755","8.774","0.005","17.261","0.01","10.025","0.005","90","","96.903","0.01","90","","1507.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Ag(btsm)(ClO4)","","","- C9 H20 Ag Cl O4 S2 -","- C9 H20 Ag Cl O4 S2 -","- C36 H80 Ag4 Cl4 O16 S8 -","4","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.1474","0.0609","","","0.1044","0.1271","","","","","","1.005","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505756","11.735","0.002","11.735","0.002","28.352","0.006","90","","90","","120","","3381.3","1.1","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H66 Ag2 Cl2 O8 S6 -","- C30 H66 Ag2 Cl2 O8 S6 -","- C90 H198 Ag6 Cl6 O24 S18 -","3","0.166667","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.0543","0.0362","","","0.0809","0.0864","","","","","","1.033","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505757","8.973","0.002","11.276","0.003","17.26","0.005","90","","94.843","0.005","90","","1740.1","0.8","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H24 Ag Cl N0 O4 S2 -","- C11 H24 Ag Cl O4 S2 -","- C44 H96 Ag4 Cl4 O16 S8 -","4","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.0903","0.0496","","","0.1219","0.1402","","","","","","1.023","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505758","10.971","0.009","13.751","0.011","17.288","0.015","90","","90.978","0.014","90","","2608","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Ag Cl O4 S3 -","- C18 H39 Ag Cl O4 S3 -","- C72 H156 Ag4 Cl4 O16 S12 -","4","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.1198","0.0477","","","0.0697","0.0849","","","","","","0.979","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505759","9.316","0.004","9.699","0.005","11.033","0.005","72.942","0.007","87.615","0.007","85.065","0.007","949.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H28 Ag Cl O4 S2 -","- C13 H28 Ag Cl O4 S2 -","- C26 H56 Ag2 Cl2 O8 S4 -","2","1","","Li, Jian-Rong; Zhang, Ruo-Hua; Bu, Xian-He","Structural Diversities of Silver(I) Coordination Compounds with Flexible Dithioether Ligands Based upon Changing the Ligand Spacers","Crystal Growth & Design","2003","3","5","829","","10.1021/cg034092q","","","0.71073","MoKα","","0.056","0.0349","","","0.0775","0.0844","","","","","","1.04","","","","has coordinates","179593","2020-10-21","18:00:00",""
"4505760","5.5807","0.001","6.1359","0.001","18.425","0.003","92.881","0.003","92.386","0.003","90.412","0.003","629.55","0.18","291","2","291","1","","","","","","","","5","P -1","-P 1","2","","4,4,4',4'-tetramethyl-p-phenylenediamine. 1,8-dibromoperfluorooctane","","- C18 H16 Br2 F16 N2 -","- C18 H16 Br2 F16 N2 -","- C18 H16 Br2 F16 N2 -","1","0.5","","Liantonio, Rosalba; Metrangolo, Pierangelo; Pilati, Tullio; Resnati, Giuseppe; Stevenazzi, Andrea","Perfluorocarbon−Hydrocarbon Self-Assembly: First Crystalline Halogen-Bonded Complex Involving Bromoperfluoroalkanes","Crystal Growth & Design","2003","3","5","799","","10.1021/cg034098f","","","0.71069","MoKα","","0.0566","0.038","","","0.0933","0.0991","","","","","","0.958","","","","has coordinates,has disorder","179593","2020-10-21","18:00:00",""
"4511650","10.2527","0.0012","18.973","0.002","16.977","0.002","90","","100.46","0.002","90","","3247.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C33 H26 Cu2 N3 O10.5 -","- C32.25 H12 Cu2 N3 O10.5 -","- C129 H48 Cu8 N12 O42 -","4","1","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1611","0.0841","","","0.1967","0.2386","","","","","","1.031","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511651","8.2043","0.0013","14.97","0.002","10.6012","0.0016","90","","90.191","0.003","90","","1302","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cu2 N4 O9 -","- C25 H18 Cu2 N4 O8.5 -","- C50 H36 Cu4 N8 O17 -","2","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1331","0.0599","","","0.1116","0.1358","","","","","","0.976","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511652","18.7912","0.0008","18.7912","0.0008","16.8886","0.001","90","","90","","90","","5963.5","0.5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C18 H10 Cu N O5 -","- C15.5556 H8 Cu0.888889 N0.888889 O3.55556 -","- C280 H144 Cu16 N16 O64 -","18","1.125","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.068","0.0407","","","0.1063","0.1139","","","","","","0.866","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511653","19.5148","0.0014","12.7678","0.0009","14.3466","0.001","90","","114.133","0.001","90","","3262.2","0.4","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C34 H26 Cl2 Cu2 N2 O8 -","- C34 H26 Cl2 Cu2 N2 O8 -","- C136 H104 Cl8 Cu8 N8 O32 -","4","1","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.053","0.0454","","","0.1103","0.1173","","","","","","0.904","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511654","15.637","0.004","15.43","0.004","13.332","0.003","90","","116.692","0.004","90","","2873.9","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cu2 O10 S4 -","- C26 H24 Cu2 O12 S2 -","- C104 H96 Cu8 O48 S8 -","4","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1229","0.0767","","","0.1539","0.1709","","","","","","1.024","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511655","8.4851","0.0015","14.639","0.002","11.1455","0.0019","90","","93.392","0.003","90","","1382","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 Cu2 N4 O9 -","- C26 H22 Cu2 N4 O8.5 -","- C52 H44 Cu4 N8 O17 -","2","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1175","0.0643","","","0.112","0.1293","","","","","","0.944","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511656","18.8743","0.0016","18.8743","0.0016","17.356","0.003","90","","90","","90","","6182.9","1.3","200","2","200","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C30 H28 Cu2 N2 O12 -","- C30 H26 Cu2 N2 O12 -","- C240 H208 Cu16 N16 O96 -","8","0.5","","Abourahma, Heba; Bodwell, Graham J.; Lu, Jianjiang; Moulton, Brian; Pottie, Ian R.; Walsh, Rosa Bailey; Zaworotko, Michael J.","Coordination Polymers from Calixarene-Like [Cu2(Dicarboxylate)2]4Building Blocks: Structural Diversity via Atropisomerism","Crystal Growth & Design","2003","3","4","513","","10.1021/cg0340345","","","0.71073","MoKα","","0.1562","0.0525","","","0.115","0.1659","","","","","","1.068","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511657","12.938","0.005","9.616","0.003","13.784","0.005","90","","91.75","0.03","90","","1714.1","1.1","295","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(2-BrPyH)2CuCl4)","2-Bromopyridinium tetrachlorocoprate(II)","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C40 H40 Br8 Cl16 Cu4 N8 -","4","0.5","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0484","0.0388","","","0.1002","0.106","","","","","","1.089","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511658","7.5639","0.0009","7.815","0.0011","15.5441","0.0017","82.11","0.011","78.869","0.011","67.06","0.008","828.3","0.19","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(3-BrPyH)2CuCl4)","3-Bromopyridinium Tetrachlorocuprate(II)","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C20 H20 Br4 Cl8 Cu2 N4 -","2","1","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0567","0.0377","","","0.0853","0.0952","","","","","","1.067","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511659","6.501","0.002","8.573","0.003","16.192","0.006","89.76","0.07","89.67","0.09","78.7","0.08","884.9","0.6","81","2","81","2","","","","","","","","5","P -1","-P 1","2","(3-BrPyH)2CuBr4)","3-Bromopyridinium Tetrabromocuprate(II)","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C20 H20 Br12 Cu2 N4 -","2","1","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0882","0.0509","","","0.084","0.0945","","","","","","0.951","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511660","7.7752","0.0009","27.963","0.003","8.7233","0.001","90","","116.251","0.007","90","","1701","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4-BrPyH)2CuCl4","4-Bromopyridinium Tetrachlorocuprate(II)","","- C10 H10 Br2 Cl4 Cu N2 -","- C10 H10 Br2 Cl4 Cu N2 -","- C40 H40 Br8 Cl16 Cu4 N8 -","4","1","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0779","0.0441","","","0.0873","0.0982","","","","","","1.025","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511661","16.904","0.002","7.7659","0.0012","14.0292","0.0017","90","","98.189","0.01","90","","1822.9","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","4-BrPyH)2CuBr4","4-Bromopyridinium Tetrabromocuprate(II)","","- C10 H10 Br6 Cu N2 -","- C10 H10 Br6 Cu N2 -","- C40 H40 Br24 Cu4 N8 -","4","0.5","","Willett, Roger D.; Awwadi, Firas; Butcher, Robert; Haddad, Salim; Twamley, Brendan","The Aryl Bromine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2003","3","3","301","","10.1021/cg030003y","","","0.71073","MoKα","","0.0979","0.057","","","0.1284","0.1493","","","","","","1.043","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4513648","7.875","","12.431","","10.537","","90","","110.94","","90","","963.384","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K Gd (P O3)4","","- Gd K O12 P4 -","- Gd K O12 P4 -","- Gd4 K4 O48 P16 -","4","0.5","","Ettis, H.; Mhiri, T.; Naili, H.","Synthesis and crystal structure of a new potassium-gadolinium cyclotetraphosphate, K Gd P4 O12","Crystal Growth and Design","2003","3","","599","602","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4517034","10.994","0.006","12.322","0.012","15.365","0.015","90","","104.93","0.06","90","","2011","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(acac)-(4-pyrrolidino)pyridinozinc(II)","","- C9.5 H13 N O2 Zn0.5 -","- C9.5 H13 N O2 Zn0.5 -","- C76 H104 N8 O16 Zn4 -","8","1","","Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P.","Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures","Crystal Growth & Design","2003","3","5","631","","10.1021/cg0340594","","","0.71073","MoKα","","0.0373","0.0329","","","0.1106","0.1236","","","","","","1.125","","","","has coordinates","271327","2021-12-10","13:10:59",""
"4517357","11.181","0.0008","28.583","0.003","12.309","0.001","90","","90","","90","","3933.8","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","Bis(acac)-(4-pyrrolidino)pyridinozinc(II)","","- C9.5 H13 N O2 Zn0.5 -","- C9.5 H13 N O2 Zn0.5 -","- C152 H208 N16 O32 Zn8 -","16","1","","Anthony, S. Philip; Raghavaiah, P.; Radhakrishnan, T. P.","Extreme Molecular Orientations in a Dimorphic System: Polar/Centric and Polar/Polar Cogrowth Crystal Architectures","Crystal Growth & Design","2003","3","5","631","","10.1021/cg0340594","","","0.71073","MoKα","","0.0334","0.03","","","0.0993","0.1027","","","","","","0.963","","","","has coordinates","247260","2020-10-21","18:00:00",""