# Search results of SQL query from the Crystallography Open Database # Date and time performed: 2024-06-01T15:07:58+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 'CrystEngComm') AND volume = 24 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 "1566629","7.2387","0.0001","9.6411","0.0002","10.4545","0.0002","81.448","0.001","75.399","0.001","70.165","0.002","662.56","0.02","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","- C18 H26 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC 2 O⋯HC n O}, n = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S 2 P(OR) 2 ] 2 ( 3 LH 2 )} n , for R = Me and Et, but are precluded when R = i-Pr; 3 LH 2 = N , N ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0165","0.0164","","","0.0431","0.0432","","","","","","1.026","","","","has coordinates","282777","2023-04-20","11:56:53","" "1566630","9.9154","0.0001","12.3655","0.0001","15.4749","0.0002","106.08","0.001","99.172","0.001","91.827","0.001","1794.03","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H42 Cd N4 O6 P2 S4 -","- C26 H42 Cd N4 O6 P2 S4 -","- C52 H84 Cd2 N8 O12 P4 S8 -","2","1","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC 2 O⋯HC n O}, n = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S 2 P(OR) 2 ] 2 ( 3 LH 2 )} n , for R = Me and Et, but are precluded when R = i-Pr; 3 LH 2 = N , N ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0184","0.0178","","","0.046","0.0463","","","","","","1.036","","","","has coordinates","282777","2023-04-20","11:56:53","" "1566631","9.0611","0.0003","9.2065","0.0003","10.5703","0.0004","82.436","0.003","77.672","0.003","64.113","0.003","774.27","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","- C22 H34 Cd N4 O6 P2 S4 -","1","0.5","","Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T.","Unusual {⋯HNC 2 O⋯HC n O}, n = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S 2 P(OR) 2 ] 2 ( 3 LH 2 )} n , for R = Me and Et, but are precluded when R = i-Pr; 3 LH 2 = N , N ′-bis(3-pyridylmethyl)oxalamide","CrystEngComm","2022","24","16","2992","3004","10.1039/D2CE00208F","","","1.54178","CuKα","","0.0159","0.0158","","","0.0396","0.0397","","","","","","1.063","","","","has coordinates","282777","2023-04-20","11:56:53","" "7243734","7.0314","0.0003","10.5042","0.0004","10.5476","0.0004","61.155","0.001","87.596","0.002","71.433","0.001","640.99","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","- C16 H24 N12 O8 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0178","0.0161","","","0.0375","0.0381","","","","","","1.062","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34","" "7243735","7.1834","0.0008","7.7618","0.0008","10.873","0.0012","89.66","0.004","76.812","0.004","71.301","0.003","557.61","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","- C12 H14 N14 O6 Pb2 S2 -","1","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0172","0.0144","","","0.028","0.0289","","","","","","1.099","","","","has coordinates","272624","2022-02-04","19:23:34","" "7243736","20.419","0.001","10.2159","0.0006","12.8155","0.0007","90","","99.731","0.002","90","","2634.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 N12 O Pb2 S4 -","- C18 H22 N12 O Pb2 S4 -","- C72 H88 N48 O4 Pb8 S16 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0248","0.0186","","","0.034","0.0353","","","","","","1.057","","","","has coordinates","272624","2022-02-04","19:23:34","" "7243737","20.5481","0.0007","10.7642","0.0003","12.7256","0.0004","90","","97.74","0.001","90","","2789.05","0.15","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 N12 O8 Pb2 S2 -","- C17 H26 N12 O8 Pb2 S2 -","- C68 H104 N48 O32 Pb8 S8 -","4","0.5","","García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Babashkina, Maria G.; Zangrando, Ennio; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Lead(ii) supramolecular structures formed through a cooperative influence of the hydrazinecarbothioamide derived and ancillary ligands","CrystEngComm","2022","24","2","368","378","10.1039/D1CE01251G","","","0.71073","MoKα","","0.0212","0.0173","","","0.0366","0.0376","","","","","","1.064","","","","has coordinates,has disorder","272624","2022-02-04","19:23:34","" "7243811","13.2618","0.0009","8.7178","0.0006","13.2822","0.0009","90","","109.205","0.002","90","","1450.14","0.17","110","","110","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C16 H40 N14 Ni2 -","- C16 H40 N14 Ni2 -","- C32 H80 N28 Ni4 -","2","0.25","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0673","0.0587","","","0.1399","0.1486","","","","","","1.115","","","","has coordinates,has disorder","272603","2022-02-04","19:18:06","" "7243812","22.9171","0.0016","22.9171","0.0016","15.2853","0.0011","90","","90","","120","","6952.2","0.8","110","","110","","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C10 H20 N6 Ni S2 -","- C10 H20 N6 Ni S2 -","- C180 H360 N108 Ni18 S36 -","18","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0527","0.0486","","","0.1178","0.1217","","","","","","1.068","","","","has coordinates","272603","2022-02-04","19:18:06","" "7243813","12.842","0.0006","14.8998","0.0006","16.5728","0.0007","90","","90","","90","","3171.1","0.2","110","","110","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H20 N10 Ni -","- C12 H20 N10 Ni -","- C96 H160 N80 Ni8 -","8","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0557","0.0485","","","0.1524","0.1623","","","","","","1.079","","","","has coordinates","272603","2022-02-04","19:18:06","" "7243814","12.8292","0.0009","13.3387","0.001","18.2848","0.0014","90","","90","","90","","3129","0.4","110","","110","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N6 S2 -","- C10 H20 Cu N6 S2 -","- C80 H160 Cu8 N48 S16 -","8","2","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.1357","0.0616","","","0.0683","0.0818","","","","","","1.007","","","","has coordinates","272603","2022-02-04","19:18:06","" "7243815","9.5813","0.0006","9.5813","0.0006","7.5171","0.0005","90","","90","","90","","690.08","0.08","300","2","300","2","","","","","","","","5","P 4/n m m :2","-P 4a 2a","129","","","","- C8 H20 Br2 Cu N4 -","- C8 H20 Br2 Cu N4 -","- C16 H40 Br4 Cu2 N8 -","2","0.125","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","","0.71073","MoKα","","0.0468","0.0288","","","0.0327","0.035","","","","","","1.064","","","","has coordinates","272603","2022-02-04","19:18:06","" "7243816","8.3568","0.0004","14.4655","0.0007","11.2207","0.0005","90","","92.8489","0.0012","90","","1354.74","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H20 Cu N10 -","- C8 H20 Cu N10 -","- C32 H80 Cu4 N40 -","4","1","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0268","0.022","","","0.0525","0.0547","","","","","","1.076","","","","has coordinates","272603","2022-02-04","19:18:06","" "7243817","15.1276","0.0011","8.9116","0.0007","11.1889","0.0008","90","","90","","90","","1508.39","0.19","110","","110","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C10 H23 Br N4 Ni O2 -","- C10 H23 Br N4 Ni O2 -","- C40 H92 Br4 N16 Ni4 O8 -","4","0.5","","Verma, Abhineet; Bhuvanesh, Nattamai; Reibenspies, Joseph; Tayade, Sakharam B.; Kumbhar, Avinash S.; Bretosh, Kateryna; Sutter, Jean-Pascal; Sunkari, Sailaja S.","Structurally characterised new twisted conformer for cyclen, controlled by metal ion complexation as seen in NiII and CuII complexes with halides and pseudohalides","CrystEngComm","2022","24","1","119","131","10.1039/D1CE01096D","","x-ray","0.71073","MoKα","","0.0548","0.0434","","","0.0814","0.0862","","","","","","1.182","","","","has coordinates","272603","2022-02-04","19:18:06","" "7243889","11.4556","0.0003","26.8887","0.0007","9.5696","0.0003","90","","91.164","0.002","90","","2947.08","0.14","103","5","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Lumifantrine-Fumaric Acid 2:1 salt","2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid","","- C32 H34 Cl3 N O3 -","- C32 H34 Cl3 N O3 -","- C128 H136 Cl12 N4 O12 -","4","1","","Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R.","The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine","CrystEngComm","2022","24","1","156","168","10.1039/D0CE01709D","","","0.71073","MoKα","","0.0692","0.0554","","","0.1315","0.1389","","","","","","1.023","","","","has coordinates,has disorder","272601","2022-02-04","19:17:40","" "7243890","8.3124","0.0011","14.5576","0.0019","17.939","0.002","90","","90","","90","","2170.8","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N4 O4 Zn -","- C24 H22 N4 O4 Zn -","- C96 H88 N16 O16 Zn4 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0323","0.0265","","","0.058","0.067","","","","","","1.045","","","","has coordinates","272599","2022-02-04","19:17:28","" "7243891","9.0815","0.0018","19.394","0.004","14.389","0.003","90","","101.562","0.003","90","","2482.9","0.9","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C96 H104 Cd4 N16 O24 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0568","0.0441","","","0.1213","0.1308","","","","","","1.049","","","","has coordinates,has disorder","272599","2022-02-04","19:17:28","" "7243892","11.7444","0.0016","7.6959","0.001","34.758","0.006","90","","90","","90","","3141.6","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C144 H184 N8 O32 -","8","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0622","0.0443","","","0.1136","0.1253","","","","","","1.051","","","","has coordinates","272599","2022-02-04","19:17:28","" "7243904","7.9191","0.0004","21.1203","0.0007","8.6696","0.0004","90","","111.691","0.005","90","","1347.35","0.11","299.44","0.18","299.44","0.18","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- Cs3 Ga2 H I8 O25 -","- Cs3 Ga2 H I8 O25 -","- Cs6 Ga4 H2 I16 O50 -","2","0.5","","Wang, Dandan; Jiang, Xiaoqing; Gong, Pifu; Zhang, Xinyuan; Lin, Zheshuai; Hu, Zhanggui; Wu, Yicheng","A new I3O93− group constructed from IO3− and IO55− anion units in Cs3[Ga2O(I3O9)(IO3)4(HIO3)]","CrystEngComm","2022","24","1","77","82","10.1039/D1CE01234G","","","0.71073","MoKα","","0.0369","0.0343","","","0.0765","0.0775","","","","","","1.234","","","","has coordinates,has disorder","272606","2022-02-04","19:18:57","" "7243909","16.7706","0.0005","9.876","0.0003","30.6219","0.0009","90","","90","","90","","5071.8","0.3","165","","165","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.099","0.0796","","","0.188","0.1986","","","","","","1.119","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243910","16.955","0.003","9.9034","0.0015","30.69","0.006","90","","90","","90","","5153.2","1.6","255","","255","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1519","0.0645","","","0.1437","0.1887","","","","","","1.014","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243911","16.8821","0.001","9.894","0.0005","30.6933","0.0019","90","","90","","90","","5126.7","0.5","225","","225","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1222","0.0773","","","0.2072","0.2385","","","","","","1.084","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243912","17.015","0.006","9.93","0.003","30.709","0.008","90","","90","","90","","5189","3","270","","270","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1511","0.0652","","","0.146","0.1927","","","","","","1.02","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243913","16.9294","0.0017","9.9015","0.0008","30.714","0.003","90","","90","","90","","5148.5","0.8","240","","240","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1608","0.064","","","0.1591","0.2297","","","","","","1.057","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243914","17.064","0.002","9.9101","0.0012","30.823","0.004","90","","90","","90","","5212.4","1.1","298","","298","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.171","0.0712","","","0.1615","0.2135","","","","","","1.024","","","","has coordinates","272622","2022-02-04","19:22:45","" "7243915","16.988","0.004","9.9204","0.0018","30.779","0.006","90","","90","","90","","5187.1","1.8","285","","285","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1616","0.0671","","","0.1496","0.1989","","","","","","1.019","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243916","16.8302","0.0004","9.886","0.0002","30.6702","0.0008","90","","90","","90","","5103","0.2","195","","195","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0957","0.0704","","","0.1609","0.1735","","","","","","1.118","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243917","16.856","0.0004","9.8906","0.0003","30.6845","0.0009","90","","90","","90","","5115.6","0.2","210","","210","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.1036","0.0758","","","0.1725","0.1848","","","","","","1.134","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243918","16.8024","0.0004","9.8815","0.0002","30.6532","0.0008","90","","90","","90","","5089.4","0.2","180","","180","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H29 N O2 -","- C31 H29 N O2 -","- C248 H232 N8 O16 -","8","1","","Zhou, Lian; Meng, Wei; Sun, Lin; Du, Lin; Xuan, Xiaopeng; Zhang, Jun","Molecular motions of a tetraphenylethylene-derived AIEgen directly monitored through in situ variable temperature single crystal X-ray diffraction","CrystEngComm","2022","24","2","231","234","10.1039/D1CE01441B","","x-ray","0.71073","MoKα","","0.0932","0.0704","","","0.1578","0.1696","","","","","","1.102","","","","has coordinates,has disorder","272622","2022-02-04","19:22:45","" "7243919","32.7739","0.0005","32.7739","0.0005","73.5789","0.0011","90","","90","","120","","68444.8","1.8","130","2","130","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- Mo132 N25.8 O628.56 Se30 -","- Mo132 N25.8 O628.56 Se30 -","- Mo396 N77.4 O1885.68 Se90 -","3","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","x-ray","0.71073","MoKα","","0.1164","0.0698","","","0.2187","0.2442","","","","","","1.149","","","","has coordinates","272623","2022-02-04","19:23:20","" "7243920","50.337","0.007","50.337","0.007","61.099","0.012","90","","90","","120","","134072","4","100","2","100","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C21.8 H130.8 Cl3 Mo132 N65.4 O581.4 Se30 -","- C130.8 H784.8 Cl18 Mo792 N392.4 O3488.4 Se180 -","6","0.166667","","Korenev, Vladimir S.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Abramov, Pavel A.; Sokolov, Maxim N.","Structural features of selenate based {Mo132} keplerate capsules","CrystEngComm","2022","24","2","321","329","10.1039/D1CE01121A","","","0.79272","synchrotron","","0.1236","0.0921","","","0.2929","0.3187","","","","","","1.211","","","","has coordinates,has disorder","272623","2022-02-04","19:23:20","" "7243930","16.8783","0.0005","14.9191","0.0003","16.6035","0.0005","90","","108.071","0.003","90","","3974.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","sys-135-2","","- C44 H42 N6 O6 Zn -","- C44 H42 N6 O6 Zn -","- C176 H168 N24 O24 Zn4 -","4","1","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.1223","0.0709","","","0.11","0.1238","","","","","","1.06","","","","has coordinates","272605","2022-02-04","19:18:50","" "7243931","10.8732","0.0006","15.9024","0.0009","17.0471","0.0007","105.773","0.004","103.099","0.004","91.265","0.004","2751.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","sys-109","","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","- C123 H93 N12 O22.5 Zn6 -","1","0.5","","Su, Yu-Qiao; Wang, Ruo-Tong; Blatova, Olga A.; Shi, Yong-Sheng; Cui, Guang-Hua","Two robust Zn(ii)-organic frameworks as dual-functional fluorescent probes for efficient sensing of enrofloxacin and MnO4− anions","CrystEngComm","2022","24","1","182","191","10.1039/D1CE01447A","","","0.71073","MoKα","","0.0543","0.0424","","","0.1056","0.1101","","","","","","1.117","","","","has coordinates,has disorder","272605","2022-02-04","19:18:50","" "7243956","12.4079","0.0008","20.8937","0.0014","19.4442","0.0012","90","","90.801","0.002","90","","5040.4","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89.5 H112.5 N2.5 O41 Yb6 -","- C88 H104 N2 O38 Yb6 -","- C176 H208 N4 O76 Yb12 -","2","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0952","0.0599","","","0.1442","0.1657","","","","","","1.022","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46","" "7243957","11.3429","0.001","12.4311","0.001","18.5115","0.0014","90","","90","","90","","2610.2","0.4","150","","150","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C25 H32 N3.33 O6.67 Zn -","- C21 H20 N2 O4 Zn -","- C84 H80 N8 O16 Zn4 -","4","0.5","","Slyusarchuk, Valentyna D.; Hawes, Chris S.","Fecht's acid revisited: a spirocyclic dicarboxylate for non-aromatic MOFs","CrystEngComm","2022","24","3","484","490","10.1039/D1CE01542G","","","0.71073","MoKα","","0.0758","0.0501","","","0.1293","0.1502","","","","","","1.053","","","","has coordinates,has disorder","272637","2022-02-04","19:26:46","" "7243966","12.9504","0.0007","12.8021","0.0006","6.8288","0.0004","90","","94.149","0.005","90","","1129.2","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H6 O6 Tb -","- C13 H6 O6 Tb -","- C52 H24 O24 Tb4 -","4","1","","Qiu, Miao-Miao; Chen, Ke-Fu; Liu, Qi-Rui; Miao, Wei-Ni; Liu, Bing; Xu, Ling","A ratiometric fluorescent sensor made of a terbium coordination polymer for the anthrax biomarker 2,6-dipicolinic acid with on-site detection assisted by a smartphone app","CrystEngComm","2022","24","1","132","142","10.1039/D1CE01256H","","","1.54178","CuKα","","0.0525","0.0456","","","0.1188","0.125","","","","","","1.064","","","","has coordinates","272600","2022-02-04","19:17:34","" "7243970","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 N10 O4 -","- C60 H54 N10 O4 -","- C120 H108 N20 O8 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","272629","2022-02-04","19:24:26","" "7243971","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Liang, Qiong-Fang; Zheng, Han-Wen; Yang, Dong-Dong; Zheng, Xiang-Jun","A triphenylamine derivative and its Cd(ii) complex with high-contrast mechanochromic luminescence and vapochromism","CrystEngComm","2022","24","3","543","551","10.1039/D1CE01319J","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272629","2022-02-04","19:24:26","" "7243972","25.0401","0.0008","13.9581","0.0004","14.3689","0.0004","90","","102.219","0.001","90","","4908.3","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 Eu N3 O11 -","- C17 H23 Eu N3 O11 -","- C136 H184 Eu8 N24 O88 -","8","1","","Hang, Meng-Ting; Cheng, Yi; Wang, Yi-Tong; Li, Huan; Zheng, Meng-Qi; He, Ming-Yang; Chen, Qun; Zhang, Zhi-Hui","Rational synthesis of isomorphic rare earth metal–organic framework materials for simultaneous adsorption and photocatalytic degradation of organic dyes in water","CrystEngComm","2022","24","3","552","559","10.1039/D1CE01411K","","","0.71073","MoKα","","0.0678","0.0497","","","0.1093","0.1182","","","","","","1.078","","","","has coordinates","272633","2022-02-04","19:25:29","" "7243973","8.4045","0.001","8.6975","0.0009","9.854","0.0013","64.455","0.003","86.316","0.004","74.126","0.004","623.92","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ca N2 O7 -","- C11 H10 Ca N2 O7 -","- C22 H20 Ca2 N4 O14 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0904","0.0637","","","0.168","0.1819","","","","","","1.093","","","","has coordinates","272636","2022-02-04","19:26:35","" "7243974","17.7069","0.0008","10.4537","0.0008","9.3801","0.0006","90","","92.379","0.004","90","","1734.78","0.19","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Ca N4 O8 -","- C14 H16 Ca N4 O8 -","- C56 H64 Ca4 N16 O32 -","4","0.5","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0419","0.0367","","","0.094","0.0982","","","","","","1.064","","","","has coordinates","272636","2022-02-04","19:26:35","" "7243975","10.628","0.002","13.31","0.003","13.741","0.003","79.741","0.006","73.155","0.006","71.586","0.005","1757.1","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H34 Ca2 N8 O17 -","- C28 H34 Ca2 N8 O17 -","- C56 H68 Ca4 N16 O34 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.1592","0.1062","","","0.2921","0.3345","","","","","","1.051","","","","has coordinates","272636","2022-02-04","19:26:35","" "7243976","6.7109","0.0003","10.271","0.0004","17.775","0.0007","90","","90","","90","","1225.19","0.09","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 Ca N2 O5 -","- C11 H10 Ca N2 O5 -","- C44 H40 Ca4 N8 O20 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0688","0.0594","","","0.1396","0.1436","","","","","","1.199","","","","has coordinates","272636","2022-02-04","19:26:35","" "7243977","7.0098","0.0002","10.9304","0.0003","16.616","0.0005","92.618","0.001","99.659","0.001","102.704","0.001","1219.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C44 H40 Ca4 N8 O20 -","2","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0401","0.0325","","","0.0777","0.0821","","","","","","1.045","","","","has coordinates","272636","2022-02-04","19:26:35","" "7243978","6.8835","0.0004","17.9272","0.0011","20.4957","0.0013","90","","90.043","0.003","90","","2529.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Ca2 N4 O10 -","- C22 H20 Ca2 N4 O10 -","- C88 H80 Ca8 N16 O40 -","4","1","","Teixeira, Michaël; Maia, Renata A.; Karmazin, Lydia; Louis, Benoît; Baudron, Stéphane A.","Ionothermal synthesis of calcium-based metal–organic frameworks in a deep eutectic solvent","CrystEngComm","2022","24","3","601","608","10.1039/D1CE01497H","","","0.71073","MoKα","","0.0788","0.055","","","0.1364","0.1487","","","","","","1.067","","","","has coordinates","272636","2022-02-04","19:26:35","" "7243980","19.824","0.0007","13.4404","0.0005","13.6238","0.0005","90","","119.291","0.001","90","","3165.9","0.2","199","2","199","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 Cl In N O7 -","- C14 H13 Cl In N O7 -","- C112 H104 Cl8 In8 N8 O56 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0208","0.0205","","","0.0485","0.0487","","","","","","1.09","","","","has coordinates","272625","2022-02-04","19:23:44","" "7243981","19.849","0.002","13.4206","0.0015","13.6014","0.0015","90","","119.38","0.002","90","","3157.2","0.6","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 In N2 O9 -","- C14 H11 In N2 O9 -","- C112 H88 In8 N16 O72 -","8","1","","Guo, Xiuli; Li, Zhenhua; Chen, Xiaobo; Liang, Dadong; Li, Chunguang; Li, Guanghua; Wang, Li; Shi, Zhan; Feng, Shouhua","Stable isomeric layered indium coordination polymers for high proton conduction","CrystEngComm","2022","24","2","294","299","10.1039/D1CE01107C","","","0.71073","MoKα","","0.0799","0.0709","","","0.1605","0.1648","","","","","","1.192","","","","has coordinates,has disorder","272625","2022-02-04","19:23:44","" "7243990","11.8741","0.0005","8.4164","0.0003","12.6736","0.0006","90","","90","","90","","1266.56","0.09","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Cl N O4 -","- C8 H24 Cl N O4 -","- C32 H96 Cl4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0366","0.0359","","","0.1005","0.1013","","","","","","1.042","","","","has coordinates","272598","2022-02-04","19:17:17","" "7243991","7.242","0.0003","10.069","0.0004","14.7992","0.0006","90","","100.379","0.002","90","","1061.5","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H16 Cl N O2 -","- C9 H16 Cl N O2 -","- C36 H64 Cl4 N4 O8 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0302","0.027","","","0.0713","0.0735","","","","","","1.045","","","","has coordinates","272598","2022-02-04","19:17:17","" "7243992","7.5628","0.0002","9.9033","0.0003","25.3929","0.0007","90","","90","","90","","1901.84","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H15 Cl2 N O2 -","- C5 H15 Cl2 N O2 -","- C40 H120 Cl16 N8 O16 -","8","2","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0189","0.0187","","","0.0492","0.0493","","","","","","1.063","","","","has coordinates","272598","2022-02-04","19:17:17","" "7243993","12.0887","0.0006","8.5504","0.0005","12.7308","0.0007","90","","90","","90","","1315.9","0.12","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H24 Br N O4 -","- C8 H24 Br N O4 -","- C32 H96 Br4 N4 O16 -","4","1","","Navasardyan, Mger A.; Bezzubov, Stanislav I.; Medvedev, Alexander G.; Prikhodchenko, Petr V.; Churakov, Andrei V.","Novel peroxosolvates of tetraalkylammonium halides: the first case of layers containing hydrogen-bonded peroxide molecules","CrystEngComm","2022","24","1","38","42","10.1039/D1CE01476E","","","0.71073","MoKα","","0.0219","0.0198","","","0.0422","0.0429","","","","","","1.023","","","","has coordinates","272598","2022-02-04","19:17:17","" "7243994","7.5119","0.0001","7.5163","0.0002","17.4195","0.0003","90","","101.945","0.002","90","","962.24","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Aitipamula, Srinivasulu; Shan, Loke Pei; Gupta, Krishna M.","Polymorphism and distinct physicochemical properties of the phloretin–nicotinamide cocrystal","CrystEngComm","2022","24","3","560","570","10.1039/D1CE01352A","","x-ray","1.54184","CuKα","","0.0449","0.0438","","","0.1075","0.1091","","","","","","1.052","","","","has coordinates","272628","2022-02-04","19:24:18","" "7243995","19.7947","0.0004","9.4219","0.0002","3.5826","0.0001","90","0.0016","98.7506","0.0016","90","0.0017","660.39","0.03","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","0.5","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0562","0.0539","","","0.0732","0.0734","","","","4.4","4.4","4.14","","","","has coordinates","272641","2022-02-04","19:29:19","" "7243996","19.7858","0.0008","9.397","0.0005","3.5684","0.0002","89.986","0.004","98.729","0.004","89.982","0.004","655.78","0.06","20","","20","","","","","","","","","4","C 1","C 1","1","","4,4'-dinitrobiphenyl:biphenyl","","- C10 H7 N O2 -","- C24 H18 N2 O4 -","- C48 H36 N4 O8 -","2","","","Rekis, Toms; Ramakrishnan, Sitaram; Kotla, Surya Rohith; Bao, Jin-Ke; Eisele, Claudio; Schönleber, Andreas; Noohinejad, Leila; Paulmann, Carsten; Tolkiehn, Martin; van Smaalen, Sander","Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl","CrystEngComm","2022","24","3","512","517","10.1039/D1CE01223A","","x-ray","0.5","synchrotron","","0.0537","0.0479","","","0.0622","0.0625","","","","3.96","3.96","3.73","","","","has coordinates","272641","2022-02-04","19:29:19","" "7243997","16.733","0.0005","12.1818","0.0003","17.9613","0.0005","90","","91","0.002","90","","3660.64","0.17","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C34 H41 Co F3 N5 O12 S -","- C34 H41 Co F3 N5 O12 S -","- C136 H164 Co4 F12 N20 O48 S4 -","4","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0471","0.0413","","","0.0885","0.0927","","","","","","1.031","","","","has coordinates","272602","2022-02-04","19:17:49","" "7243998","12.5531","0.0004","13.0741","0.0004","14.6993","0.0005","68.163","0.003","65.87","0.003","64.215","0.003","1926.33","0.12","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","- C64 H66 Cu4 F12 N10 O26 S4 -","1","0.5","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","1.54178","CuKα","","0.0448","0.0374","","","0.0989","0.1062","","","","","","1.046","","","","has coordinates","272602","2022-02-04","19:17:49","" "7243999","11.0416","0.0003","11.7979","0.0004","14.2305","0.0003","104.917","0.002","98.643","0.002","113.012","0.003","1581.79","0.09","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30.54 F3 N5 Ni O8.27 S -","- C31 H28 F3 N5 Ni O8.272 S -","- C62 H56 F6 N10 Ni2 O16.544 S2 -","2","1","","Melvin, Marissa K.; Skelton, Brian W.; Eggers, Paul K.; Raston, Colin L.","Synthesis, crystallization and Hirshfeld surface analysis of transition metal carboxylate pentapyridines","CrystEngComm","2022","24","1","57","69","10.1039/D1CE01248G","","x-ray","0.71073","MoKα","","0.0706","0.0475","","","0.1103","0.1221","","","","","","1.03","","","","has coordinates,has disorder","272602","2022-02-04","19:17:49","" "7244014","20.3991","0.0005","15.4857","0.0003","30.0422","0.0005","90","","90","","90","","9490.2","0.3","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C56.25 H45.25 N10.75 O1.75 -","- C51 H33 N9 -","- C408 H264 N72 -","8","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","1.34143","GaKα","","0.0746","0.0515","","","0.152","0.1612","","","","","","0.964","","","","has coordinates","272639","2022-02-04","19:27:25","" "7244015","19.889","0.004","21.178","0.004","34.375","0.007","90","","104.32","0.03","90","","14029","5","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H80.1 Cl1.2 Cu3 F36 N9 O12 -","- C117.8 H75.3 Cl1.2 Cu3 F36 N9 O12 -","- C471.2 H301.2 Cl4.8 Cu12 F144 N36 O48 -","4","1","","Manfroni, Giacomo; Prescimone, Alessandro; Constable, Edwin C.; Housecroft, Catherine E.","Stars and stripes: hexatopic tris(3,2′:6′,3′′-terpyridine) ligands that unexpectedly form one-dimensional coordination polymers","CrystEngComm","2022","24","3","491","503","10.1039/D1CE01531A","","x-ray","0.72083","synchrotron","","0.2092","0.1912","","","0.4998","0.5408","","","","","","1.177","","","","has coordinates,has disorder","272639","2022-02-04","19:27:25","" "7244016","22.82","0.003","11.9888","0.0015","22.879","0.003","90","","111.912","0.004","90","","5807.2","1.3","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C128 H288 Br56 Mo24 N8 -","4","1","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.141","0.0643","","","0.1373","0.1684","","","","","","0.957","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12","" "7244017","13.0071","0.001","11.6664","0.0009","19.0278","0.0014","90","","90.481","0.003","90","","2887.3","0.4","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.0792","0.0644","","","0.166","0.177","","","","","","1.027","","","","has coordinates","272627","2022-02-04","19:24:12","" "7244018","13.1355","0.0004","11.7629","0.0003","18.9747","0.0006","90","","90.737","0.001","90","","2931.57","0.15","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Br14 Mo6 N2 -","- C32 H72 Br14 Mo6 N2 -","- C64 H144 Br28 Mo12 N4 -","2","0.5","","Saito, Norio; Nishiyama, Daiki; Matsushita, Yoshitaka; Wada, Yoshiki; Cordier, Stéphane; Ohsawa, Takeo; Grasset, Fabien; Ohashi, Naoki","Reentrant structural and optical properties of organic–inorganic hybrid metal cluster compound ((n-C4H9)4N)2[Mo6Bri8Bra6]","CrystEngComm","2022","24","3","465","470","10.1039/D1CE01033F","","","0.71073","MoKα","","0.073","0.0416","","","0.0914","0.1031","","","","","","1.035","","","","has coordinates,has disorder","272627","2022-02-04","19:24:12","" "7244019","17.6067","0.0004","17.6067","0.0004","29.9221","0.0015","90","","90","","90","","9275.7","0.6","293","2","296.15","","","","","","","","","7","I 4/m","-I 4","87","","","","- C24 H60 Mo12 N36 Ni7 O60 P -","- C24 H60 Mo12 N36 Ni7 O60 P -","- C96 H240 Mo48 N144 Ni28 O240 P4 -","4","0.25","","Zhuo, Jin-Long; Wang, Yun-Liang; Wang, Yu-Guang; Xu, Ming-Qi; Sha, Jing-Quan","Surfactant-assisted fabrication and supercapacitor performances of a 12-phosphomolybdate-pillared metal–organic framework containing a helix and its SWNT nanocomposites","CrystEngComm","2022","24","3","579","586","10.1039/D1CE01471D","","","0.71073","MoKα","","0.0878","0.053","","","0.1372","0.163","","","","","","1.054","","","","has coordinates","272631","2022-02-04","19:24:49","" "7244020","14.767","0.003","16.296","0.003","18.365","0.003","71.143","0.004","87.189","0.004","84.839","0.004","4164.3","1.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","- C52 H98 Cu N24 O128 Si3 W36 -","1","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.1609","0.0798","","","0.1859","0.2351","","","","","","0.999","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19","" "7244021","12.1279","0.0015","21.743","0.003","21.136","0.003","90","","102.364","0.002","90","","5444.2","1.3","273.15","","273.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H66 Co Mo24 N24 O82 Si2 -","- C52 H66 Co Mo24 N24 O82 Si2 -","- C104 H132 Co2 Mo48 N48 O164 Si4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0497","0.0345","","","0.0653","0.0705","","","","","","1.107","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19","" "7244022","13.7397","0.0009","10.2909","0.0007","17.8945","0.0012","90","","105.235","0.001","90","","2441.3","0.3","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Co3 Mo6 N12 O32 Te -","- C26 H44 Co3 Mo6 N12 O32 Te -","- C52 H88 Co6 Mo12 N24 O64 Te2 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.046","0.0297","","","0.0604","0.0661","","","","","","1.015","","","","has coordinates","272635","2022-02-04","19:26:19","" "7244023","23.2769","0.0007","13.9736","0.0004","19.3429","0.0006","90","","90","","90","","6291.5","0.3","296.15","","296.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C52 H82 Cu5 Mo22 N24 O89 P2 -","- C104 H164 Cu10 Mo44 N48 O178 P4 -","2","0.5","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0597","0.0437","","","0.1062","0.1173","","","","","","1.084","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19","" "7244024","12.2348","0.0007","13.557","0.0008","13.8907","0.0008","110.677","0.001","110.381","0.001","98.307","0.001","1924.4","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H34 Cr Cu Mo6 N7 O31 -","- C12 H34 Cr Cu Mo6 N7 O31 -","- C24 H68 Cr2 Cu2 Mo12 N14 O62 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.064","0.0381","","","0.0764","0.086","","","","","","1.009","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19","" "7244025","19.0455","0.0016","14.5002","0.0012","23.178","0.002","90","","95.835","0.001","90","","6367.8","0.9","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H52 Co2 N12 O45.5 P W11 -","- C26 H52 Co2 N12 O45.5 P W11 -","- C104 H208 Co8 N48 O182 P4 W44 -","4","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0478","0.0285","","","0.0556","0.062","","","","","","1.042","","","","has coordinates","272635","2022-02-04","19:26:19","" "7244026","8.3059","0.0003","10.2707","0.0004","27.0831","0.001","90.502","0.001","95.784","0.001","112.687","0.001","2117.91","0.14","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C13 H37 Co2 Mo6 N6 Na O35 Te -","- C26 H74 Co4 Mo12 N12 Na2 O70 Te2 -","2","1","","Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli","A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties","CrystEngComm","2022","24","3","587","600","10.1039/D1CE01419F","","","0.71073","MoKα","","0.0576","0.0386","","","0.0867","0.0945","","","","","","1.054","","","","has coordinates,has disorder","272635","2022-02-04","19:26:19","" "7244034","11.5136","0.0005","14.4562","0.0005","16.368","0.0006","75.824","0.003","85.556","0.003","89.48","0.003","2633.3","0.18","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C60 H50 N10 O4 -","- C60 H54 N10 O4 -","- C120 H108 N20 O8 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0949","0.0727","","","0.1927","0.2035","","","","","","1.249","","","","has coordinates","272604","2022-02-04","19:18:18","" "7244035","7.2058","0.0002","7.774","0.0003","20.4876","0.0007","86.501","0.003","89.897","0.003","83.117","0.003","1137.26","0.07","100","1","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cd0.5 Cl N3 O2 -","- C26 H21 Cd0.5 Cl N3 O2 -","- C52 H42 Cd Cl2 N6 O4 -","2","1","","Giri, Rajat Subhra; Mandal, Bhubaneswar","Supramolecular helical self-assembly of small peptides","CrystEngComm","2022","24","1","10","32","10.1039/D1CE01349A","","x-ray","1.54184","CuKα","","0.0551","0.0481","","","0.1288","0.1306","","","","","","1.158","","","","has coordinates","272604","2022-02-04","19:18:18","" "7244036","10.12941","0.00005","16.43674","0.00009","13.38681","0.00007","90","","96.9574","0.0005","90","","2212.42","0.02","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 Cl3 N S2 Sn -","- C19 H22 Cl3 N S2 Sn -","- C76 H88 Cl12 N4 S8 Sn4 -","4","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","1.54184","CuKα","","0.0222","0.0217","","","0.0564","0.0566","","","","","","1.062","","","","has coordinates","272611","2022-02-04","19:19:52","" "7244038","7.3849","0.0001","8.0981","0.0002","11.1254","0.0002","72.216","0.002","84.21","0.002","74.767","0.002","611.13","0.02","299.78","0.1","299.78","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C26 H18 Cl4 N2 O4 -","2","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0407","0.0398","","","0.1121","0.1132","","","","","","1.034","","","","has coordinates","272638","2022-02-04","19:26:55","" "7244039","11.6672","0.00018","7.4166","0.0001","15.6676","0.0003","90","","108.305","0.0017","90","","1287.13","0.04","300.43","0.1","300.43","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N O2 -","- C15 H15 N O2 -","- C60 H60 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.046","0.0424","","","0.1222","0.1255","","","","","","1.069","","","","has coordinates","272638","2022-02-04","19:26:56","" "7244040","12.4611","0.0003","6.86735","0.00012","15.5404","0.0003","90","","110.487","0.002","90","","1245.75","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 Cl2 N O2 -","- C13 H9 Cl2 N O2 -","- C52 H36 Cl8 N4 O8 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0436","0.0402","","","0.1131","0.1167","","","","","","1.086","","","","has coordinates","272638","2022-02-04","19:26:56","" "7244041","14.2255","0.0002","24.628","0.0003","8.1632","0.0001","90","","99.282","0.001","90","","2822.49","0.06","259.6","0.6","259.6","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl4 N3 O4 -","- C28 H25 Cl4 N3 O4 -","- C112 H100 Cl16 N12 O16 -","4","1","","Zhoujin, Yunping; Li, Yuping; Zhang, Mingtao; Parkin, Sean; Guo, Ju; Li, Tonglei; Yu, Faquan; Long, Sihui","Polymorphism and cocrystal salt formation of 2-((2,6-dichlorophenyl)amino)benzoic acid, harvest of a second form of 2-((2,6-dimethylphenyl)amino)benzoic acid, and isomorphism between the two systems","CrystEngComm","2022","24","3","681","690","10.1039/D1CE01407B","","x-ray","1.54184","CuKα","","0.0548","0.0492","","","0.1291","0.1335","","","","","","1.033","","","","has coordinates","272638","2022-02-04","19:26:56","" "7244042","6.5565","0.0001","17.6948","0.0004","12.4912","0.0003","90","","102.335","0.0006","90","","1415.72","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H5 N7 O8 -","- C11.9994 H5 N6.9994 O7.9994 -","- C47.9976 H20 N27.9976 O31.9976 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0813","0.0628","","","0.1475","0.1623","","","","","","1.039","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03","" "7244043","12.0783","0.0003","12.3615","0.0003","12.6822","0.0003","107.053","0.001","95.261","0.001","112.021","0.001","1634.2","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H4 N20 O22 -","- C24 H4 N20 O22 -","- C48 H8 N40 O44 -","2","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.0981","0.0696","","","0.1803","0.204","","","","","","1.093","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03","" "7244044","7.1886","0.0008","17.2834","0.0019","12.4782","0.0014","90","","94.337","0.003","90","","1545.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H4 N8 O10 -","- C12 H4 N8 O10 -","- C48 H16 N32 O40 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Minyaev, Mikhail E.; Pivina, Tatyana S.","Quest: structure and properties of BTF–nitrobenzene cocrystals with different ratios of components","CrystEngComm","2022","24","2","235","250","10.1039/D1CE00977J","","","0.71073","MoKα","","0.1003","0.0802","","","0.2155","0.2348","","","","","","1.068","","","","has coordinates,has disorder","272626","2022-02-04","19:24:03","" "7244051","13.0104","0.0005","7.1278","0.0003","17.3503","0.0007","90","","90","","90","","1608.99","0.11","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Cl]n","","- C6 H4 Cl N O3 Pb -","- C6 H4 Cl N O3 Pb -","- C48 H32 Cl8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0283","0.0255","","","0.0707","0.0746","","","","","","1.173","","","","has coordinates","272612","2022-02-04","19:20:00","" "7244052","13.7536","0.0004","6.8778","0.0002","17.8671","0.0005","90","","90","","90","","1690.13","0.08","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)I]n","","- C6 H4 I N O3 Pb -","- C6 H4 I N O3 Pb -","- C48 H32 I8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0225","0.0195","","","0.049","0.0503","","","","","","1.116","","","","has coordinates","272612","2022-02-04","19:20:00","" "7244053","13.2594","0.0007","7.0293","0.0004","17.5526","0.0009","90","","90","","90","","1635.98","0.15","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","[Pb(INO)Br)n","","- C6 H4 Br N O3 Pb -","- C6 H4 Br N O3 Pb -","- C48 H32 Br8 N8 O24 Pb8 -","8","1","","Aboutorabi, Leila; Morsali, Ali","Synthesis, crystal structures and reversible solid-state crystal-to-crystal transformation of three isostructural lead(ii) halide coordination polymers with different luminescence properties in bulk and nanoscale","CrystEngComm","2022","24","5","1049","1055","10.1039/D1CE01509E","","","0.71073","MoKα","","0.0231","0.0197","","","0.0495","0.051","","","","","","1.106","","","","has coordinates","272612","2022-02-04","19:20:00","" "7244055","19.4078","0.0001","19.4078","0.0001","23.1536","0.0002","90","","90","","120","","7552.69","0.09","173","2","173","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C30 H50 Cl2 Eu2 N2 O20 -","- C30 H49.9998 Cl2 Eu2 N2 O20 -","- C180 H299.999 Cl12 Eu12 N12 O120 -","6","1","","Dong, Yingling; Chen, Rui; Zhu, Xu; Niu, Caoyuan; Wu, Benlai; Yu, Ajuan","Homochiral porous coordination polymer of EuIII for metal ion sensing and enantioselective adsorption","CrystEngComm","2022","24","6","1156","1160","10.1039/D1CE01244D","","","0.71073","MoKα","","0.0341","0.0295","","","0.068","0.0704","","","","","","1.072","","","","has coordinates,has disorder","273354","2022-03-04","22:08:12","" "7244056","8.409","0.002","16.64","0.001","11.274","0.001","90","","101.37","0.02","90","","1546.6","0.4","150","2","150","2","","","","","","","","5","P 1 c 1","P -2yc","7","Sulfathiazole, diethylmalonate solvate","Sulfathiazole, diethylmalonate (2:1) solvate","","- C25 H30 N6 O8 S4 -","- C25 H30 N6 O8 S4 -","- C50 H60 N12 O16 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0406","0.0396","","","0.1131","0.1141","","","","","","1.055","","","","has coordinates","272632","2022-02-04","19:25:18","" "7244057","8.523","0.002","21.073","0.004","9.087","0.002","90","","96.54","0.03","90","","1621.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sebaconitrile solvate","Sulfathiazole, 1,10-decanedinitrile (2:1) solvate","","- C28 H34 N8 O4 S4 -","- C28 H34 N8 O4 S4 -","- C56 H68 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1026","0.0495","","","0.1015","0.1188","","","","","","0.988","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244058","8.783","0.001","14.728","0.004","23.8","0.005","90","","98.46","0.01","90","","3045.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclooctanone solvate","Sulfathiazole, cyclooctanone (2:1) solvate","","- C26 H32 N6 O5 S4 -","- C26 H32 N6 O5 S4 -","- C104 H128 N24 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1367","0.0691","","","0.166","0.1863","","","","","","0.918","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244059","8.636","0.002","19.187","0.004","9.354","0.002","90","","91.03","0.03","90","","1549.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, gamma-butyrolactone","Sulfathiazole, 4-butyrolactone (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0978","0.0554","","","0.1593","0.1754","","","","","","1.118","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244060","8.416","0.002","17.394","0.003","10.342","0.002","90","","104.7","0.03","90","","1464.4","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, diethyloxalate solvate","Sulfathiazole, oxalic acid diethyl ester (2:1) solvate","","- C24 H28 N6 O8 S4 -","- C24 H28 N6 O8 S4 -","- C48 H56 N12 O16 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1295","0.0605","","","0.1154","0.1296","","","","","","0.791","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244061","8.154","0.002","17.399","0.003","10.077","0.002","90","","101.32","0.03","90","","1401.8","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Sulfathiazole, adiponitrile solvate","Sulfathiazole, 1,6-hexanenitrile (2:1) solvate","","- C24 H26 N8 O4 S4 -","- C24 H26 N8 O4 S4 -","- C48 H52 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0415","0.0331","","","0.0821","0.0864","","","","","","1.057","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244062","11.448","0.002","14.224","0.003","15.323","0.003","90","","111.6","0.03","90","","2319.9","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, caprolactam solvate","Sulfathiazole, hexahydro-2H-azepin-2-one (1:2) solvate","","- C21 H31 N5 O4 S2 -","- C21 H31 N5 O4 S2 -","- C84 H124 N20 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0789","0.0552","","","0.1373","0.152","","","","","","1.029","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244063","8.01","0.002","20.82","0.004","8.99","0.002","90","","94.65","0.03","90","","1494.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, suberonitrile solvate","Sulfathiazole, 1,8-octanedinitrile (2:1) solvate","","- C26 H30 N8 O4 S4 -","- C26 H30 N8 O4 S4 -","- C52 H60 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71069","MoKα","","0.0531","0.0391","","","0.0859","0.093","","","","","","1.072","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244064","6.487","0.003","12.332","0.004","22.259","0.003","90","","94.19","0.03","90","","1775.9","1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cyclohexanone solvate","Sulfathiazole, cyclohexanone (1:1) solvate","","- C15 H19 N3 O3 S2 -","- C15 H19 N3 O3 S2 -","- C60 H76 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1671","0.0832","","","0.2083","0.2309","","","","","","0.818","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244065","8.2478","0.0002","21.0191","0.0006","9.0739","0.0003","90","","96.534","0.001","90","","1562.85","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, butyronitrile solvate","Sulfathiazole, butyronitrile (1:1) solvate","","- C13 H16 N4 O2 S2 -","- C13 H16 N4 O2 S2 -","- C52 H64 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0892","0.0537","","","0.1274","0.1486","","","","","","1.041","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244066","8.051","0.002","11.492","0.002","15.552","0.003","77.45","0.03","88.64","0.02","88.64","0.02","1403.9","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","Sulfathiazole, dimethylethyleneurea solvate","Sulfathiazole, 1,3 dimethyl-2-imidazolidone (2:1) solvate","","- C23 H28 N8 O5 S4 -","- C23 H28 N8 O5 S4 -","- C46 H56 N16 O10 S8 -","2","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1053","0.0498","","","0.0898","0.1069","","","","","","0.949","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244067","8.606","0.002","21.643","0.004","8.735","0.002","90","","98.76","0.03","90","","1608","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, beta-butyrolactone solvate","Sulfathiazole, 4-methyloxetan-2-one (1:1) solvate","","- C13 H15 N3 O4 S2 -","- C13 H15 N3 O4 S2 -","- C52 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0886","0.0534","","","0.1217","0.1381","","","","","","1.029","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19","" "7244068","6.036","0.001","21.02","0.004","12.791","0.003","90","","94.44","0.03","90","","1618","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, sulfalone solvate","Sulfathiazole, tetramethylene sulfone (1:1) solvate","","- C13 H17 N3 O4 S3 -","- C13 H17 N3 O4 S3 -","- C52 H68 N12 O16 S12 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1133","0.0678","","","0.1452","0.1551","","","","","","0.814","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244069","6.613","0.003","12.074","0.003","22.085","0.003","90","","93.44","0.001","90","","1760.2","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, cycloheptanone solvate","Sulfathiazole, cycloheptanone (1:1) solvate","","- C16 H21 N3 O3 S2 -","- C16 H21 N3 O3 S2 -","- C64 H84 N12 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1215","0.1159","","","0.2809","0.2878","","","","","","1.124","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244070","8.363","0.0017","21.146","0.004","9.116","0.0018","90","","95.76","0.03","90","","1604","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, azelanitrile solvate","Sulfathiazole, 1,9-nonanedinitrile (2:1) solvate","","- C27 H32 N8 O4 S4 -","- C27 H32 N8 O4 S4 -","- C54 H64 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1437","0.1259","","","0.2951","0.3033","","","","","","1.216","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19","" "7244071","8.3551","0.0009","18.88","0.003","10.7764","0.0017","90","","96.79","0.009","90","","1688","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, morpholine-4-carbonitrile solvate","Sulfathiazole, morpholine-4-carbonitrile (1:1) solvate","","- C14 H17 N5 O3 S2 -","- C14 H17 N5 O3 S2 -","- C56 H68 N20 O12 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1879","0.0611","","","0.1112","0.1436","","","","","","0.933","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244072","16.533","0.003","9.996","0.001","19.81","0.002","90","","112.26","0.02","90","","3029.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, N,N'-Dimethylpropylene urea solvate","Sulfathiazole, 1,3-Dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone (2:1) solvate","","- C24 H30 N8 O5 S4 -","- C24 H30 N8 O5 S4 -","- C96 H120 N32 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.0758","0.0493","","","0.1416","0.1536","","","","","","1.097","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244073","8.4758","0.0003","20.7179","0.0009","9.6108","0.0005","90","","97.84","0.002","90","","1671.89","0.13","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, valeronitrile solvate","Sulfathiazole, pentanenitrile (1:1) solvate","","- C14 H18 N4 O2 S2 -","- C14 H18 N4 O2 S2 -","- C56 H72 N16 O8 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.097","0.0509","","","0.1074","0.125","","","","","","0.978","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19","" "7244074","8.194","0.002","21.111","0.004","9.57","0.002","90","","94.2","0.03","90","","1651","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, alpha-angelica lactone solvate","Sulfathiazole, 5-Methyl-2(3H)-furanone (1:1) solvate","","- C14 H15 N3 O4 S2 -","- C14 H15 N3 O4 S2 -","- C56 H60 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.1212","0.0473","","","0.0909","0.1035","","","","","","0.698","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244075","8.417","0.002","20.975","0.004","9.472","0.002","90","","93.83","0.03","90","","1668.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, gamma-valerolactone solvate","Sulfathiazole, (+/-) 5-methyldihydrofuran-2-one (1:1) solvate","","- C14 H17 N3 O4 S2 -","- C14 H17 N3 O4 S2 -","- C56 H68 N12 O16 S8 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","1.54178","CuKα","","0.1115","0.0494","","","0.1123","0.1265","","","","","","0.968","","","","has coordinates,has disorder","272632","2022-02-04","19:25:19","" "7244076","8.6785","0.0002","19.911","0.0006","10.0217","0.0003","90","","97.776","0.001","90","","1715.8","0.08","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfathiazole, dodecanedinitrile solvate","Sulfathiazole, 1,12-dodecanedinitrile (2:1) solvate","","- C30 H38 N8 O4 S4 -","- C30 H38 N8 O4 S4 -","- C60 H76 N16 O8 S8 -","2","0.5","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0575","0.0397","","","0.0956","0.1035","","","","","","1.023","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244077","16.616","0.003","16.088","0.003","12.63","0.003","90","","110.69","0.03","90","","3158.5","1.3","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","Sulfathiazole, N,N-dibutylformamide solvate","Sulfathiazole, N,N-dibutylformamide (2:1) solvate","","- C27 H37 N7 O5 S4 -","- C27 H37 N7 O5 S4 -","- C108 H148 N28 O20 S16 -","4","1","","Hughes, David S.; Bingham, Ann L.; Hursthouse, Michael B.; Threlfall, Terry L.; Bond, Andrew D.","The extensive solid-form landscape of sulfathiazole: geometrical similarity and interaction energies","CrystEngComm","2022","24","3","609","619","10.1039/D1CE01516H","","","0.71073","MoKα","","0.0439","0.0356","","","0.0819","0.0859","","","","","","1.026","","","","has coordinates","272632","2022-02-04","19:25:19","" "7244078","12.071","0.003","12.071","0.003","12.118","0.002","90","","90","","120","","1529.1","0.6","296","2","296.15","","","","","","","","","7","P 63/m","-P 6c","176","","","","- B9 Cd3 H3 K Na5 O38 P6 -","- B9 Cd3 H3 K Na5 O38 P6 -","- B18 Cd6 H6 K2 Na10 O76 P12 -","2","0.166667","","Feng, Yuquan; Lv, Linxia; Bi, Dongqin; Zhong, Zhiguo; Li, Jing; Yue, Zilong; Zeng, Zhaoge; Zhang, Shuhan; Meng, Zhaohui","Efficient degradation of reactive brilliant red on the first open-framework borate-rich cadmium borophosphate","CrystEngComm","2022","24","3","479","483","10.1039/D1CE01449H","","","0.71073","MoKα","","0.095","0.0919","","","0.2092","0.2105","","","","","","1.071","","","","has coordinates","272634","2022-02-04","19:25:35","" "7244085","13.921","0.003","16.888","0.003","7.6224","0.0015","90","","120","0.03","90","","1551.9","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","0.5","","Zhang, Xiunan; Wang, Jingkang; Yu, Fei; Cheng, Xiaowei; Hao, Yunhui; Liu, Yue; Huang, Xin; Wang, Ting; Hao, Hongxun","Influence of additives on the polymorphic manipulation of organic fluorescent crystals and its mechanism","CrystEngComm","2022","24","4","854","862","10.1039/D1CE01285A","","","0.71073","MoKα","","0.0872","0.0541","","","0.1322","0.1473","","","","","","1.022","","","","has coordinates","272617","2022-02-04","19:20:37","" "7244095","12.638","0.003","13.524","0.003","21.208","0.004","84.09","0.03","84.24","0.03","64.85","0.03","3257.3","1.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","- C102 H118 Co8 N2 O44 S8 -","1","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7927","synchrotron","","0.1267","0.1101","","","0.2865","0.3052","","","","","","1.022","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10","" "7244096","31.887","0.006","23.216","0.005","23.261","0.005","90","","90","","90","","17220","6","100.15","","100.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C130 H194 N14 O48 S8 Zn6 -","- C130 H194 N14 O48 S8 Zn6 -","- C520 H776 N56 O192 S32 Zn24 -","4","0.5","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7931","synchrotron","","0.1088","0.0713","","","0.1871","0.217","","","","","","1.025","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10","" "7244097","22.981","0.003","22.981","0.003","13.534","0.003","90","","90","","90","","7148","2","100","","100","","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C108 H138 N4 Ni9 O50 S8 -","- C108 H138 N4 Ni9 O50 S8 -","- C216 H276 N8 Ni18 O100 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","","0.7937","synchrotron","","0.081","0.0645","","","0.1705","0.1856","","","","","","1.048","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10","" "7244098","22.99439","0.00004","22.99439","0.00004","13.59342","0.00005","90","","90","","90","","7187.41","0.03","100","0.1","100","0.1","","","","","","","","6","P 42 21 2","P 4n 2n","94","","","","- C120 H162 Co9 N8 O54 S8 -","- C120 H162 Co9 N8 O54 S8 -","- C240 H324 Co18 N16 O108 S16 -","2","0.25","","Kniazeva, Mariia V.; Ovsyannikov, Alexander S.; Samigullina, Aida I.; Islamov, Daut R.; Gubaidullin, Aidar T.; Dorovatovskii, Pavel V.; Lazarenko, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.; Ferlay, Sylvie","Impact of flexible succinate connectors on the formation of tetrasulfonylcalix[4]arene based nano-sized polynuclear cages: structural diversity and induced chirality study","CrystEngComm","2022","24","3","628","638","10.1039/D1CE01482J","","x-ray","1.54184","CuKα","","0.0491","0.0484","","","0.1408","0.1417","","","","","","1.059","","","","has coordinates,has disorder","272640","2022-02-04","19:29:10","" "7244099","14.717","0.0006","14.3696","0.0006","23.7326","0.001","90","","90","","90","","5018.9","0.4","296","2","296","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C45 H49 Eu3 N12 O24 S4 -","- C33 H9 Eu3 N8 O20 S4 -","- C132 H36 Eu12 N32 O80 S16 -","4","0.5","","He, Qi-Qi; Yao, Shu-Li; Zheng, Teng-Fei; Xu, Hui; Liu, Sui-Jun; Chen, Jing-Lin; Li, Na; Wen, He-Rui","A multi-responsive luminescent sensor based on a stable Eu(iii) metal–organic framework for sensing Fe3+, MnO4−, and Cr2O72− in aqueous solutions","CrystEngComm","2022","24","5","1041","1048","10.1039/D1CE01503F","","","0.71073","MoKα","","0.0397","0.0384","","","0.1154","0.1166","","","","","","1.123","","","","has coordinates,has disorder","272614","2022-02-04","19:20:15","" "7244112","11.3034","0.0006","12.7188","0.0006","21.9772","0.0012","82.236","0.002","76.045","0.002","75.545","0.002","2959.8","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Co","","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","- C82 H96 Cl4 Co N10 O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.072","0.0526","","","0.141","0.1565","","","","","","1.022","","","","has coordinates","272630","2022-02-04","19:24:34","" "7244113","11.3213","0.0006","12.545","0.0007","21.9866","0.0013","82.573","0.002","76.173","0.002","75.347","0.002","2925.7","0.3","150","2","150","","","","","","","","","7","P -1","-P 1","2","","ZrMOF-Ni","","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","- C82 H98 Cl4 N10 Ni O24 Zr6 -","1","0.5","","Zhu, Juan; Liu, Zhao-Yang; Li, Shuang-bao; Huang, He; Jiang, Bao-Xu; Zhang, Yu-Teng","Stepwise synthesis of Zr-based metal–organic frameworks: incorporating a trinuclear zirconocene-based metallo-pyridine ligand","CrystEngComm","2022","24","3","475","478","10.1039/D1CE01418H","","","0.71073","MoKα","","0.065","0.0477","","","0.1317","0.1446","","","","","","1.031","","","","has coordinates","272630","2022-02-04","19:24:34","" "7244114","10.5089","0.0004","24.083","0.0011","6.4952","0.0003","90","","90","","90","","1643.84","0.12","150","2","149.99","","","","","","","","","3","P 21 21 2","P 2 2ab","18","artesiminin hemikis(acetylenedicarboxylic acid)","Octahydro-3,6,9-trimethyl-3,12-epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10(3H)-one hemikis(but-2-ynedioic acid)","","- C17 H23 O7 -","- C17 H23 O7 -","- C68 H92 O28 -","4","1","","Makadia, Jay; Madu, Shadrack J.; Arroo, Randolph; Seaton, Colin C.; Li, Mingzhong","Artemisinin–acetylenedicarboxylic acid cocrystal: screening, structure determination, and physicochemical property characterisation","CrystEngComm","2022","24","5","1056","1067","10.1039/D1CE01400E","","","0.71073","MoKα","","0.0416","0.0353","","","0.0884","0.0922","","","","","","1.039","","","","has coordinates","272607","2022-02-04","19:19:04","" "7244117","24.4715","0.0007","8.9399","0.0003","9.9133","0.0003","90","","90","","90","","2168.76","0.12","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C88 H80 Cd4 N16 O20 -","4","0.5","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0456","0.0289","","","0.0613","0.0662","","","","","","1.092","","","","has coordinates","271657","2022-01-01","00:11:11","" "7244118","8.7652","0.0019","10.148","0.002","12.958","0.003","73.895","0.003","77.424","0.003","75.347","0.004","1057.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cd N4 O5 -","- C22 H20 Cd N4 O5 -","- C44 H40 Cd2 N8 O10 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0306","0.0252","","","0.0667","0.0862","","","","","","1.187","","","","has coordinates","271657","2022-01-01","00:11:11","" "7244119","9.907","0.005","10.86","0.005","11.41","0.006","114.119","0.006","107.767","0.007","97.924","0.007","1017.1","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N4 O4 -","- C22 H18 Cd N4 O4 -","- C44 H36 Cd2 N8 O8 -","2","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.04","0.033","","","0.0976","0.1094","","","","","","1.077","","","","has coordinates","271657","2022-01-01","00:11:11","" "7244120","7.9711","0.0004","38.293","0.002","13.9006","0.0007","90","","96.469","0.001","90","","4216","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H40 N8 O10 Zn2 -","- C44 H40 N8 O10 Zn2 -","- C176 H160 N32 O40 Zn8 -","4","1","","Bai, Ye; Zhang, Mei-li; Wang, Bo-Tao; Ren, Yi-Xia; Zhao, Yu-Chao; Yang, Hua; Yang, Xiaogang","Four MOFs with isomeric ligands as fluorescent probes for highly selective, sensitive and stable detection of antibiotics in water","CrystEngComm","2022","24","1","169","181","10.1039/D1CE01261D","","","0.71073","MoKα","","0.0648","0.0423","","","0.0894","0.1008","","","","","","1.125","","","","has coordinates","271657","2022-01-01","00:11:12","" "7244123","11.26","0.005","11.656","0.005","12.787","0.005","79.302","0.005","84.606","0.005","68.048","0.005","1529","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","- C24 H12 Cu2 Mo12 N12 O44 P -","1","0.5","","Li, Meng-Ting; Sun, Jing-Wen; Yi-Fei-Liu,; Niu, Mei-Hui; Zou, Han-Yu; Sun, Da-Qiang; Yu, Yang","POM-based metal organic frameworks with a woven fabric structure for lithium storage","CrystEngComm","2022","24","6","1279","1284","10.1039/D1CE01538A","","","0.71069","MoKα","","0.1479","0.0824","","","0.2423","0.2982","","","","","","1.048","","","","has coordinates","273356","2022-03-04","22:09:02","" "7244124","14.1506","0.0013","14.5033","0.0014","22.5841","0.0017","90","","90.46","0.003","90","","4634.8","0.7","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H102 Cd2 Cl8 N34 O34 -","- C58 H80 Cd2 Cl8 N34 O24 -","- C116 H160 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0797","0.0703","","","0.206","0.2127","","","","","","1.007","","","","has coordinates","272616","2022-02-04","19:20:31","" "7244125","14.075","0.005","14.636","0.004","22.677","0.007","90","","90.564","0.012","90","","4671","3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H105 Cd2 Cl8 N34 O34 -","- C60 H76 Cd2 Cl8 N34 O24 -","- C120 H152 Cd4 Cl16 N68 O48 -","2","0.5","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.0996","0.0697","","","0.2175","0.2364","","","","","","1.003","","","","has coordinates","272616","2022-02-04","19:20:31","" "7244126","17.535","0.006","17.696","0.007","18.62","0.007","69.886","0.011","78.459","0.012","66.732","0.011","4970","3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H81 Cd Cl4 N33 O28 S -","- C53 H60 Cd Cl4 N33 O20 S -","- C106 H120 Cd2 Cl8 N66 O40 S2 -","2","1","","Zhang, Zeng-Hui; Lin, Rui-Lian; Yu, Xiang-Yun; Chen, Li-Xia; Tao, Zhu; Xiao, Xin; Wei, Gang; Redshaw, Carl; Liu, Jing-Xin","Encapsulation of l-valine, d-leucine and d-methionine by cucurbit[8]uril","CrystEngComm","2022","24","5","1035","1040","10.1039/D1CE01513C","","","0.71073","MoKα","","0.1668","0.1141","","","0.2978","0.3415","","","","","","1.011","","","","has coordinates","272616","2022-02-04","19:20:31","" "7244127","10.9002","0.0005","11.5504","0.0005","14.7377","0.0007","89.771","0.001","86.393","0.001","81.188","0.001","1829.94","0.14","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","- C24 H40 Cu2 Mo12 N12 O50.5 P -","1","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0898","0.0748","","","0.163","0.17","","","","","","1.165","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06","" "7244128","16.046","0.0011","20.6074","0.0014","18.8644","0.0013","90","","96.972","0.002","90","","6191.7","0.7","293","2","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C24 H30 Cu2 Mo12 N12 O47 Si -","- C96 H120 Cu8 Mo48 N48 O188 Si4 -","4","1","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1127","0.0621","","","0.1495","0.1791","","","","","","1.012","","","","has coordinates","272619","2022-02-04","19:21:06","" "7244129","15.8588","0.0014","21.3036","0.0014","10.4152","0.0008","90","","98.134","0.002","90","","3483.4","0.5","296","2","296.15","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C28 H41 Co2 N12 O49.5 Si W12 -","- C28 H41 Co2 N12 O49.5 Si W12 -","- C56 H82 Co4 N24 O99 Si2 W24 -","2","0.25","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.0493","0.0348","","","0.0778","0.0854","","","","","","1.043","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06","" "7244130","10.1453","0.0007","17.138","0.0011","19.2588","0.0012","90","","96.218","0.002","90","","3328.8","0.4","273","2","273.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H48 Cu2 N12 O52 Si W12 -","- C28 H48 Cu2 N12 O52 Si W12 -","- C56 H96 Cu4 N24 O104 Si2 W24 -","2","0.5","","Cui, Zi-Wei; Lu, Jun-Jun; Lin, Hong-Yan; Luan, Jian; Chang, Zhi-Han; Li, Xiao-Hui; Wang, Xiu-Li","Four Keggin-type polyoxometalate-based complexes derived from bis(pyrazine)–bis(amide) ligands for electrochemical sensing of multiple analytes and adsorbing dye molecules","CrystEngComm","2022","24","4","828","836","10.1039/D1CE01403J","","x-ray","0.71073","MoKα","K-L~3~","0.1286","0.0689","","","0.1058","0.1225","","","","","","1.075","","","","has coordinates,has disorder","272619","2022-02-04","19:21:06","" "7244137","12.47","0.003","10.334","0.002","13.219","0.003","90","","111.93","0.03","90","","1580.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N3 O9 Y -","- C10 H16 N3 O9 Y -","- C40 H64 N12 O36 Y4 -","4","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.0621","0.057","","","0.1544","0.1583","","","","","","1.089","","","","has coordinates","272618","2022-02-04","19:20:47","" "7244138","7.19","0.0014","7.578","0.0015","9.979","0.002","71.83","0.03","83.47","0.03","84.8","0.03","512.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H8 O7 Y -","- C9 H6 O7 Y -","- C18 H12 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0731","0.0611","","","0.1613","0.1699","","","","","","1.14","","","","has coordinates","272618","2022-02-04","19:20:47","" "7244139","7.635","0.0015","10.112","0.002","11.216","0.002","115.76","0.03","105.96","0.03","95.18","0.03","727.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N O7 Y -","- C12 H13 N O7 Y -","- C24 H26 N2 O14 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.057","0.0558","","","0.1578","0.1591","","","","","","1.185","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47","" "7244140","9.621","0.0019","9.918","0.002","11.149","0.002","77.87","0.03","80.29","0.03","79.96","0.03","1014.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H24 N2 O10 Y -","- C15 H20 N2 O10 Y -","- C30 H40 N4 O20 Y2 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.7","synchrotron","","0.0789","0.0718","","","0.2031","0.2113","","","","","","1.168","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47","" "7244141","8.52","0.0017","10.069","0.002","16.751","0.003","81.28","0.03","79.95","0.03","79.63","0.03","1381.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N2 O18.5 Y2 -","- C18 H20 N2 O18.5 Y2 -","- C36 H40 N4 O37 Y4 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.75","synchrotron","","0.0789","0.0699","","","0.2312","0.2438","","","","","","1.115","","","","has coordinates,has disorder","272618","2022-02-04","19:20:47","" "7244142","9.573","0.0019","14.857","0.003","19.601","0.004","99.49","0.03","95.46","0.03","101.53","0.03","2670.4","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 N6 O26 Y4 -","- C34 H50 N6 O26 Y4 -","- C68 H100 N12 O52 Y8 -","2","1","","Park, Jiwon; Koo, Jin Young; Choi, Hee Cheul","The solvent influenced coordination variation of flexible ligands to Y(iii) towards MOF structural diversity","CrystEngComm","2022","24","4","846","853","10.1039/D1CE01429C","","","0.8","synchrotron","","0.1413","0.1002","","","0.3066","0.3316","","","","","","1.173","","","","has coordinates","272618","2022-02-04","19:20:47","" "7244143","13.7701","0.0004","11.51","0.0003","29.1745","0.0007","90","","90.088","0.002","90","","4624","0.2","150","0.3","150","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C20 H20 Cd2 N2 O15 -","- C20 H20 Cd2 N2 O15 -","- C160 H160 Cd16 N16 O120 -","8","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0373","0.0321","","","0.0638","0.0659","","","","","","1.074","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244144","8.0862","0.0015","8.1863","0.0013","8.4893","0.0011","72.651","0.013","81.681","0.013","65.767","0.017","488.97","0.15","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","- C20 H12 Cd3 N2 O12 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0614","0.0488","","","0.1187","0.1273","","","","","","1.045","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244145","9.0126","0.0001","18.6624","0.0001","9.1644","0.0001","90","","103.467","0.001","90","","1499.04","0.03","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H30 Cd3 N2 O21 -","- C20 H30 Cd3 N2 O21 -","- C40 H60 Cd6 N4 O42 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0418","0.0418","","","0.1045","0.1045","","","","","","1.072","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03","" "7244146","4.8959","0.0001","10.063","0.0003","11.3009","0.0004","90","","95.584","0.003","90","","554.12","0.03","149.9","0.3","149.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 N O8 Zn -","- C10 H11 N O8 Zn -","- C20 H22 N2 O16 Zn2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0314","0.0308","","","0.0803","0.081","","","","","","1.068","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244147","4.8412","0.0002","10.1675","0.0004","11.332","0.0004","90","","95.158","0.004","90","","555.54","0.04","150","0.1","150","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H11 Co N O8 -","- C10 H11 Co N O8 -","- C20 H22 Co2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0472","0.0461","","","0.1224","0.1241","","","","","","1.044","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244148","4.9056","0.0005","9.7392","0.001","11.4649","0.0014","90","","97.117","0.01","90","","543.53","0.1","150.1","0.4","150.1","0.4","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9.4 Cu N O7.2 -","- C10 H9.4 Cu N O7.2 -","- C20 H18.8 Cu2 N2 O14.4 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0611","0.0481","","","0.0958","0.0989","","","","","","0.953","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244149","7.4213","0.0003","19.3205","0.0006","10.8081","0.0004","90","","96.871","0.003","90","","1538.57","0.1","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O12 Zn2 -","- C10 H13 N O12 Zn2 -","- C40 H52 N4 O48 Zn8 -","4","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0391","0.0323","","","0.0774","0.0808","","","","","","1.081","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03","" "7244150","14.1081","0.0001","14.3068","0.0002","23.1617","0.0003","90","","90.945","0.001","90","","4674.36","0.1","220","0.1","220","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C51.25 H105.75 Cd6 N7.75 O55.5 -","- C48.55 H63.45 Cd6 N6.85 O36.6 -","- C97.1 H126.9 Cd12 N13.7 O73.2 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0648","0.0626","","","0.1711","0.1735","","","","","","1.013","","","","has coordinates,has disorder","272620","2022-02-04","19:22:03","" "7244151","7.2467","0.0006","8.5509","0.0007","10.9978","0.0006","101.892","0.006","95.728","0.005","114.776","0.008","592.04","0.09","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cd N O8 -","- C10 H11 Cd N O8 -","- C20 H22 Cd2 N2 O16 -","2","1","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","0.71073","MoKα","","0.0376","0.0335","","","0.0636","0.0668","","","","","","1.069","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244152","7.7777","0.0002","8.9715","0.0004","11.4851","0.0004","67.353","0.004","75.848","0.003","70.505","0.003","690.98","0.05","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","- C20 H28 Cd3 N2 O20 -","1","0.5","","Rixson, Daniel; Günay Sezer, Güneş; Alp, Emre; Mahon, Mary F.; Burrows, Andrew D.","Synthesis, structures and properties of metal–organic frameworks prepared using a semi-rigid tricarboxylate linker","CrystEngComm","2022","24","4","863","876","10.1039/D1CE01284C","","x-ray","1.54184","CuKα","","0.0216","0.0199","","","0.0489","0.0496","","","","","","1.026","","","","has coordinates","272620","2022-02-04","19:22:03","" "7244162","21.701","0.0007","6.1737","0.0002","20.5621","0.0007","90","","120.251","0.001","90","","2379.68","0.14","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 N2 O S -","- C13 H12 N2 O S -","- C104 H96 N16 O8 S8 -","8","1","","Tan, Sang Loon; Cardoso, Laura N. F.; de Souza, Marcus V. N.; Wardell, Solange M. S. V.; Wardell, James L.; Tiekink, Edward R. T.","Experimental and computational evidence for stabilising parallel, offset π[C(O)N(H)NC]⋯π(phenyl) interactions in acetohydrazide derivatives","CrystEngComm","2022","24","5","962","974","10.1039/D1CE01492G","","","0.71073","MoKα","","0.062","0.0421","","","0.1018","0.1108","","","","","","1.031","","","","has coordinates","272611","2022-02-04","19:19:53","" "7244167","11.853","0.002","14.016","0.002","16.932","0.003","105.883","0.003","99.311","0.003","92.164","0.003","2659.9","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H64 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","- C64 H66 Fe2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.079","0.0587","","","0.1579","0.1754","","","","","","1.018","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16","" "7244168","11.8092","0.0012","14.143","0.0015","17.0587","0.0019","106.843","0.0017","100","0.0016","91.8117","0.0016","2675.3","0.5","296","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H52 Mn2 Mo12 N8 Na4 O70 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","- C64 H52 Mn2 Mo12 N8 Na2 O71 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0681","0.0483","","","0.1311","0.1451","","","","","","1.025","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16","" "7244169","11.856","0.001","14.0079","0.0012","16.8886","0.0014","105.922","0.0013","99.3799","0.0014","92.0586","0.0015","2651.5","0.4","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","- C64 H62 Co2 Mo12 N8 Na2 O70 P8 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","","0.71073","MoKα","","0.0659","0.0466","","","0.1248","0.1385","","","","","","1.022","","","","has coordinates","272608","2022-02-04","19:19:16","" "7244170","12.079","0.002","13.62","0.002","17.023","0.003","75.738","0.003","80.286","0.003","89.388","0.003","2673.9","0.8","296","2","296.15","","","","","","","","","9","P -1","-P 1","2","","","","- C64 H60 K2 Mo12 N8 Na2 O69 P8 Zn -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","- C64 H54 Mo12 N8 Na2 O70 P8 Zn2 -","1","0.5","","Bi, Hao-Xue; Yin, Xiao-Yu; Zhang, Xiu-Juan; Ma, Yuan-Yuan; Han, Zhan-Gang","Efficient visible-light-driven reduction of hexavalent chromium catalyzed by conjugated organic species modified hourglass-type phosphomolybdate hybrids","CrystEngComm","2022","24","5","1002","1009","10.1039/D1CE01467F","","x-ray","0.71073","MoKα","","0.0944","0.0601","","","0.1444","0.1727","","","","","","1.038","","","","has coordinates,has disorder","272608","2022-02-04","19:19:16","" "7244175","14.4786","0.0006","11.6381","0.0006","34.8047","0.0016","90","","90.017","0.003","90","","5864.7","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1868","0.1302","","","0.3871","0.4345","","","","","","1.482","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244176","7.6581","0.0003","7.3941","0.0003","13.4241","0.0006","90","","98.09","0.002","90","","752.57","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-3,6-difluorobenzonitrile","","- C7 H2 Cl F2 N2 -","- C7 H3 Cl F2 N2 -","- C28 H12 Cl4 F8 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0517","0.0396","","","0.107","0.1217","","","","","","1.059","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244177","9.7777","0.0019","7.7816","0.0015","10.246","0.0016","90","","99.955","0.008","90","","767.8","0.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile","","- C7 H2 Cl F3 N2 -","- C7 H2 Cl F3 N2 -","- C28 H8 Cl4 F12 N8 -","4","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1221","0.0962","","","0.2726","0.282","","","","","","1.016","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244178","7.5702","0.0005","5.8303","0.0003","15.8912","0.0011","90","","96.846","0.003","90","","696.38","0.08","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-amino-2,3,6-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C28 H12 F12 N8 -","4","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0709","0.0455","","","0.1199","0.141","","","","","","1.026","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244179","14.459","0.0006","11.6131","0.0006","34.7535","0.0015","90","","90.333","0.003","90","","5835.5","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-amino-2,3,5-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 F6 N4 O6 -","- C26 H30 F6 N4 O6 -","- C208 H240 F48 N32 O48 -","8","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.1175","0.0882","","","0.2544","0.2939","","","","","","0.954","","","","has coordinates,has disorder","272610","2022-02-04","19:19:43","" "7244180","3.736","0.0007","8.4997","0.0017","10.654","0.002","90","","96.061","0.007","90","","336.43","0.11","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-amino-2,3,5-trifluorobenzonitrile","","- C7 H3 F3 N2 -","- C7 H3 F3 N2 -","- C14 H6 F6 N4 -","2","1","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.038","0.0325","","","0.0949","0.102","","","","","","0.815","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244181","9.276","0.0004","9.884","0.0005","10.2679","0.0005","111.106","0.002","98.506","0.002","116.108","0.002","734","0.07","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,6-difluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","- C26 H30 Cl2 F4 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.0439","0.037","","","0.1032","0.1108","","","","","","1.035","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244182","9.4276","0.0006","9.9092","0.0006","10.3213","0.0007","111.749","0.002","97.219","0.003","116.798","0.002","747.91","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","2-amino-4-chloro-3,5,6-trifluorobenzonitrile 18-crown-6 associate 2:1","","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","- C26 H28 Cl2 F6 N4 O6 -","1","0.5","","Vaganova, Tamara A.; Benassi, Enrico; Gatilov, Yurij V.; Chuikov, Igor P.; Pishchur, Denis P.; Malykhin, Evgenij V.","Polyhalogenated aminobenzonitriles vs. their co-crystals with 18-crown-6: amino group position as a tool to control crystal packing and solid-state fluorescence","CrystEngComm","2022","24","5","987","1001","10.1039/D1CE01469B","","","0.71073","MoKα","","0.042","0.0355","","","0.0925","0.0988","","","","","","1.031","","","","has coordinates","272610","2022-02-04","19:19:43","" "7244183","7.0616","0.0004","12.96","0.0006","10.6639","0.0004","90","","94.752","0.004","90","","972.59","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O8 -","- C16 H22 N4 O8 -","- C32 H44 N8 O16 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0607","0.0422","","","0.1065","0.1195","","","","","","1.029","","","","has coordinates","272609","2022-02-04","19:19:29","" "7244184","7.6501","0.0002","11.8612","0.0004","10.4802","0.0003","90","","98.09","0.003","90","","941.5","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N2 O8 S2 -","- C14 H20 N2 O8 S2 -","- C28 H40 N4 O16 S4 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","1.5418","CuKα","","0.0499","0.0407","","","0.1073","0.1157","","","","","","1.05","","","","has coordinates","272609","2022-02-04","19:19:29","" "7244185","9.547","0.0008","10.2921","0.0009","11.4084","0.0011","70.436","0.009","66.208","0.009","86.296","0.007","963.26","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","- C32 H40 N6 O24 -","1","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.1456","0.0636","","","0.1528","0.1948","","","","","","0.985","","","","has coordinates","272609","2022-02-04","19:19:29","" "7244186","5.9712","0.0003","7.004","0.0003","20.4618","0.0009","90","","98.336","0.004","90","","846.72","0.07","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O6 -","- C14 H22 N4 O6 -","- C28 H44 N8 O12 -","2","0.5","","Morales-Santana, Marcos; Chong-Canto, Sayuri; Santiago-Quintana, José Martín; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Microcrystalline solid–solid transformations of conformationally-responsive solvates, desolvates and a salt of N,N′-(1,4-phenylene)dioxalamic acid: the energetics of hydrogen bonding and n/π → π* interactions","CrystEngComm","2022","24","5","1017","1034","10.1039/D1CE01504D","","","0.71073","MoKα","","0.0441","0.0366","","","0.0945","0.1001","","","","","","1.049","","","","has coordinates","272609","2022-02-04","19:19:29","" "7244189","14.3707","0.0004","14.3707","0.0004","36.5666","0.0013","90","","90","","90","","7551.6","0.4","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C24 H56 Br18 N8 Pb5 -","- C24 H56 Br18 N8 Pb5 -","- C96 H224 Br72 N32 Pb20 -","4","0.125","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0734","0.0636","","","0.2312","0.24","","","","","","1.064","","","","has coordinates","273358","2022-03-04","22:09:39","" "7244190","19.2189","0.0007","13.7924","0.0006","11.7827","0.0005","90","","90","","90","","3123.3","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Cl6 N2 Sn2 -","- C6 H14 Cl6 N2 Sn2 -","- C48 H112 Cl48 N16 Sn16 -","8","1","","Jung, Mi-Hee","The dual band and white-light emission from piperazine halide perovskites","CrystEngComm","2022","24","7","1413","1423","10.1039/D1CE01296G","","","0.71073","MoKα","","0.0244","0.0184","","","0.061","0.078","","","","","","0.968","","","","has coordinates","273358","2022-03-04","22:09:39","" "7244198","7.6333","0.0013","8.2742","0.0014","13.236","0.002","90.191","0.002","93.865","0.002","109.561","0.002","785.6","0.2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Br N2 O8 Re2 -","- C8 H17 Br N2 O8 Re2 -","- C16 H34 Br2 N4 O16 Re4 -","2","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0257","0.0235","","","0.0577","0.0588","","","","","","1.068","","","","has coordinates","272621","2022-02-04","19:22:13","" "7244199","8.8362","0.0005","12.7362","0.0005","13.7512","0.0005","91.289","0.002","94.366","0.002","96.252","0.002","1533.15","0.12","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H17 Cl N2 O8 Re2 -","- C8 H17 Cl N2 O8 Re2 -","- C32 H68 Cl4 N8 O32 Re8 -","4","2","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0702","0.0593","","","0.1601","0.1649","","","","","","1.133","","","","has coordinates","272621","2022-02-04","19:22:13","" "7244200","10.1928","0.0005","14.8794","0.0006","19.0803","0.0008","90","","90","","90","","2893.8","0.2","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H16 F N2 O8 Re2 -","- C8 H17 F N2 O8 Re2 -","- C64 H136 F8 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.0201","0.0159","","","0.0327","0.0338","","","","","","1.075","","","","has coordinates","272621","2022-02-04","19:22:13","" "7244201","10.236","0.0013","14.7742","0.0019","19.084","0.002","90","","90","","90","","2886","0.6","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H17 N2 O8 Re2 -","- C8 H18 N2 O8 Re2 -","- C64 H144 N16 O64 Re16 -","8","1","","Wan, Min; Wang, Yan-Ning; Liu, Jing-Yuan; Tong, Liang; Ye, Si-Yu; Li, Jun-Yi; Chen, Li-Zhuang","High temperature molecular-based phase transition compounds with tunable and switchable dielectric properties","CrystEngComm","2022","24","4","782","787","10.1039/D1CE01488A","","","0.71073","MoKα","","0.05","0.0399","","","0.094","0.1002","","","","","","1.083","","","","has coordinates","272621","2022-02-04","19:22:13","" "7244202","4.9136","0.0004","14.4136","0.0011","17.9643","0.0014","92.224","0.002","93.232","0.002","92.069","0.002","1268.36","0.17","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C10 H25 N5 -","- C10 H25 N5 -","- C40 H100 N20 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0645","0.0534","","","0.1319","0.137","","","","","","1.124","","","","has coordinates,has disorder","273355","2022-03-04","22:08:52","" "7244203","9.8206","0.0008","13.9643","0.0011","13.9819","0.0011","90","","90","","90","","1917.4","0.3","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 F6 N5 Ni O2 P -","- C12 H28 F6 N5 Ni O2 P -","- C48 H112 F24 N20 Ni4 O8 P4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0275","0.0257","","","0.0673","0.0686","","","","","","1.059","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244204","5.1713","0.0004","27.181","0.002","18.8959","0.0014","90","","93.137","0.002","90","","2652","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 N3 O6 S3 -","- C25 H31 N3 O6 S3 -","- C100 H124 N12 O24 S12 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0535","0.0394","","","0.0941","0.101","","","","","","1.04","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244205","8.652","0.0008","11.9224","0.001","18.0909","0.0015","90","","90","","90","","1866.1","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H25 Cl4 Co2 N5 -","- C10 H25 Cl4 Co2 N5 -","- C40 H100 Cl16 Co8 N20 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0259","0.0238","","","0.0602","0.0612","","","","","","1.043","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244206","7.9184","0.0006","6.7907","0.0005","14.7266","0.0011","90","","100.133","0.002","90","","779.52","0.1","150.15","","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H25 Cl2 Fe N5 -","- C10 H25 Cl2 Fe N5 -","- C20 H50 Cl4 Fe2 N10 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0231","0.0203","","","0.0515","0.0529","","","","","","1.061","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244207","14.6083","0.0011","14.3727","0.0011","16.8252","0.0012","90","","103.155","0.003","90","","3439.9","0.4","150","","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H50 Cl6 Co3 N10 -","- C20 H50 Cl6 Co3 N10 -","- C80 H200 Cl24 Co12 N40 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0357","0.0281","","","0.0664","0.0696","","","","","","1.034","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244208","9.1983","0.0007","9.1983","0.0007","43.795","0.004","90","","90","","120","","3209","0.5","150","","150","","","","","","","","","6","P 65","P 65","170","","","","- C10 H28 F12 Mn N6 P2 -","- C10 H28 F12 Mn N6 P2 -","- C60 H168 F72 Mn6 N36 P12 -","6","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0601","0.0478","","","0.1168","0.1251","","","","","","1.024","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244209","12.6817","0.001","25.67","0.003","12.8729","0.001","90","","106.102","0.007","90","","4026.2","0.7","150","","150","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C10 H25 F12 N5 P2 Zn -","- C10 H25 F11.996 N5 P2 Zn -","- C80 H200 F95.968 N40 P16 Zn8 -","8","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0788","0.0628","","","0.1758","0.1896","","","","","","1.067","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244210","9.0957","0.0008","9.2333","0.0009","22.464","0.002","97.589","0.003","93.469","0.002","96.344","0.002","1853.2","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H25 Cl2 Cr F6 N5 P -","- C10 H25 Cl2 Cr F6 N5 P -","- C40 H100 Cl8 Cr4 F24 N20 P4 -","4","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0611","0.0453","","","0.1058","0.1122","","","","","","1.05","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244211","7.7456","0.0007","10.3834","0.0009","11.001","0.001","75.896","0.002","88.525","0.002","85.227","0.002","855.1","0.13","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C10 H21 Cl F6 N5 P Ru -","- C10 H21 Cl F6 N5 P Ru -","- C20 H42 Cl2 F12 N10 P2 Ru2 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0258","0.0235","","","0.0604","0.0618","","","","","","1.029","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244212","5.7301","0.0005","18.629","0.0015","16.8629","0.0016","90","","91.518","0.002","90","","1799.4","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N2 O10 S4 -","- C34 H40 N2 O10 S4 -","- C68 H80 N4 O20 S8 -","2","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0539","0.0351","","","0.085","0.0925","","","","","","1.023","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244213","18.619","0.002","9.6164","0.0008","11.7011","0.001","90","","110.806","0.004","90","","1958.4","0.3","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H28 Cl2 F6 N5 P -","- C10 H28 Cl2 F6 N5 P -","- C40 H112 Cl8 F24 N20 P4 -","4","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0264","0.0245","","","0.0652","0.0664","","","","","","1.079","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244214","8.2222","0.0004","12.5513","0.0007","12.9958","0.0007","90","","104.977","0.002","90","","1295.6","0.12","150","","150","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C12 H31 Cu F12 N7 O4 P2 -","- C12 H31 Cu F12 N7 O4 P2 -","- C24 H62 Cu2 F24 N14 O8 P4 -","2","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.036","0.0355","","","0.0699","0.0702","","","","","","1.12","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244215","17.9648","0.0014","19.2765","0.0014","12.8235","0.001","90","","90","","90","","4440.8","0.6","150","","150","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C13.76 H30.64 F6 Fe I0.12 N5 O3.76 P -","- C110.08 H245.12 F48 Fe8 I0.96 N40 O30.08 P8 -","8","0.5","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.064","0.0528","","","0.1538","0.1651","","","","","","1.033","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244216","15.3816","0.0011","9.2277","0.0011","12.6805","0.0011","90","","113.079","0.003","90","","1655.8","0.3","150","","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C10 H27 Cl3 Cr N5 O -","- C10 H27 Cl3 Cr N5 O -","- C40 H108 Cl12 Cr4 N20 O4 -","4","1","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0355","0.0296","","","0.0552","0.057","","","","","","1.044","","","","has coordinates","273355","2022-03-04","22:08:53","" "7244217","14.5128","0.0014","12.7676","0.0011","32.102","0.003","90","","90","","90","","5948.3","0.9","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H25 Cl2 Co N5 -","- C10 H25 Cl2 Co N5 -","- C160 H400 Cl32 Co16 N80 -","16","2","","Shircliff, Anthony D.; Allbritton, Elisabeth M. A.; Davilla, Dustin J.; Gorbet, Michael-Joseph; Jones, Donald G.; Tresp, David S.; Allen, Michael B.; Shrestha, Alina; Burgess, Gwendolyn E.; Eze, John I.; Fernandez, Andrea T.; Ramirez, Daniel; Shoff, Kody J.; Crispin, Garet G.; Crone, Sarah B.; Flinn, Michael; Tran, Tien; Bryce, Darby S.; Bond, Abbagale L.; Shockey, Dylan W.; Oliver, Allen G.; Krause, Jeanette A.; Prior, Timothy J.; Hubin, Timothy J.","Expanding and quantifying the crystal chemistry of the flexible ligand 15aneN5","CrystEngComm","2022","24","6","1218","1236","10.1039/D1CE01534F","","","0.7749","synchrotron","","0.0742","0.0416","","","0.0836","0.0958","","","","","","1.034","","","","has coordinates,has disorder","273355","2022-03-04","22:08:53","" "7244218","7.09","0.0005","15.0538","0.0011","16.4613","0.0012","90","","90","","90","","1756.9","0.2","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl2 Cu N7 -","- C17 H13 Cl2 Cu N7 -","- C68 H52 Cl8 Cu4 N28 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0265","0.0223","","","0.0756","0.0881","","","","","","0.79","","","","has coordinates","273353","2022-03-04","22:07:53","" "7244219","6.9172","0.0009","15.1342","0.0019","17.174","0.002","90","","90","","90","","1797.9","0.4","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Cl Cu N8 O3 -","- C17 H13 Cl Cu N8 O3 -","- C68 H52 Cl4 Cu4 N32 O12 -","4","1","","Pramanik, Samit; Pathak, Sudipta; Frontera, Antonio; Mukhopadhyay, Subrata","Syntheses, crystal structures and supramolecular assemblies of two Cu(ii) complexes based on a new heterocyclic ligand: insights into C–H⋯Cl and π⋯π interactions","CrystEngComm","2022","24","8","1598","1611","10.1039/D1CE01402A","","","0.71073","MoKα","","0.0383","0.0348","","","0.1067","0.1122","","","","","","0.883","","","","has coordinates","273353","2022-03-04","22:07:54","" "7244220","13.2557","0.001","5.3985","0.0004","23.3604","0.0018","90","","103.761","0.001","90","","1623.7","0.2","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","diphenyl ditelluride 1,2,4,5-tetrafluoro-3,6-diiodobenzene","","- C15 H10 F2 I Te2 -","- C15 H10 F2 I Te2 -","- C60 H40 F8 I4 Te8 -","4","1","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0242","0.0195","","","0.0417","0.0433","","","","","","1.0356","","","","has coordinates","273357","2022-03-04","22:09:20","" "7244221","6.82","0.0004","8.6628","0.0005","33.6106","0.0019","90","","92.684","0.002","90","","1983.5","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diphenylditelluride 1,4-diiodo-tetrafluorobenzene","","- C18 H10 F4 I2 Te2 -","- C18 H10 F4 I2 Te2 -","- C72 H40 F16 I8 Te8 -","4","0.5","","Torubaev, Yury V.; Skabitsky, Ivan V.; Anisimov, Aleksei A.; Ananyev, Ivan V.","Long-range supramolecular synthon polymorphism: a case study of two new polymorphic cocrystals of Ph2Te2–1,4-C6F4I2","CrystEngComm","2022","24","7","1442","1452","10.1039/D1CE01487K","","","0.71073","MoKα","","0.0479","0.045","","","0.0872","0.0879","","","","","","1.384","","","","has coordinates","273357","2022-03-04","22:09:30","" "7244225","8.892","0.004","24.276","0.011","11.365","0.005","90","","109.798","0.007","90","","2308.3","1.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","- C92 H78 N12 O23 S4 Zn4 -","1","0.25","","Zeng, Na-Na; Ren, Li; Cui, Guang-Hua","Ultrasensitive fluorescence detection of norfloxacin in aqueous medium employing a 2D Zn(ii)-based coordination polymer","CrystEngComm","2022","24","5","931","935","10.1039/D1CE01537K","","","0.71073","MoKα","","0.1611","0.0663","","","0.1522","0.1959","","","","","","0.983","","","","has coordinates,has disorder","272615","2022-02-04","19:20:22","" "7244257","7.1397","0.0003","16.0756","0.0006","8.9196","0.0003","90","","104.983","0.001","90","","988.94","0.06","110","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyrene-Tetrachloroterephthalonitrile Cocrystal","","- C12 H5 Cl2 N -","- C12 H5 Cl2 N -","- C48 H20 Cl8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.0744","0.0478","","","0.0847","0.0967","","","","","","1.135","","","","has coordinates","272613","2022-02-04","19:20:08","" "7244258","7.1268","0.0011","8.6732","0.0014","15.297","0.002","90","","102.303","0.006","90","","923.8","0.2","98","","98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cocrystal","","- C12 H5 F2 N -","- C12 H5 F2 N -","- C48 H20 F8 N4 -","4","1","","Yu, Xu; Tang, Baolei; Zhang, Hongyu","A controllable and defectless cutting postprocess method via cleavage of an elastic cocrystal based on pyrene and tetrachloroterephthalonitrile","CrystEngComm","2022","24","5","942","946","10.1039/D1CE01438B","","","0.71073","MoKα","","0.068","0.0444","","","0.1066","0.1325","","","","","","1.088","","","","has coordinates","272613","2022-02-04","19:20:08","" "7244279","22.3041","0.0009","28.6028","0.0014","29.0127","0.0013","90","","90","","90","","18508.9","1.4","292.4","0.3","292.4","0.3","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C408 H248 Eu16 N52 O112 -","- C408 H248 Eu16 N52 O112 -","- C816 H496 Eu32 N104 O224 -","2","0.0625","","Sun, Yin-Xia; Guo, Geng; Ding, Wen-Min; Han, Wen-Yu; Li, Juan; Deng, Zhe-Peng","A highly stable Eu-MOF multifunctional luminescent sensor for the effective detection of Fe3+, Cr2O72−/CrO42− and aspartic acid in aqueous systems","CrystEngComm","2022","24","7","1358","1367","10.1039/D1CE01432C","","x-ray","1.54184","CuKα","","0.0478","0.0401","","","0.09","0.0946","","","","","","1.051","","","","has coordinates","273359","2022-03-04","22:09:53","" "7244318","15.006","0.0013","20.6811","0.0016","22.944","0.002","90","","99.494","0.004","90","","7022.9","1","292.52","","292.52","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H90 N26 O32 -","- C55 H90 N26 O32 -","- C220 H360 N104 O128 -","4","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0884","0.0556","","","0.1337","0.1561","","","","","","1.061","","","","has coordinates","274970","2022-05-05","20:29:39","" "7244319","12.304","0.002","12.4966","0.0018","13.125","0.002","64.88","0.006","89.809","0.006","79.159","0.006","1787.9","0.5","292.28","","292.28","","","","","","","","","5","P -1","-P 1","2","","","","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","- C57 H60 N28 O34 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0544","0.043","","","0.0973","0.1041","","","","","","1.117","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39","" "7244320","12.4914","0.0007","13.5836","0.0007","13.6906","0.0006","105.65","0.002","95.32","0.002","113.732","0.002","1993.62","0.18","292.26","","292.26","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","- C54 H69 N26 O40 S2 U2 -","1","0.5","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0609","0.048","","","0.1267","0.1387","","","","","","1.059","","","","has coordinates","274970","2022-05-05","20:29:39","" "7244321","23.0996","0.0013","18.4319","0.0011","33.9541","0.0019","90","","103.095","0.002","90","","14080.7","1.4","143.01","","143.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","- C440 H512 N208 O224 S8 U12 -","1","0.25","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","1.54178","CuKα","","0.0488","0.0439","","","0.111","0.1159","","","","","","1.05","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39","" "7244322","23.1168","0.0013","24.6194","0.0015","24.9596","0.001","90","","90","","90","","14205.1","1.3","302","","302","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C110 H122 Cl N52 O51 S2 U3 -","- C110 H122 Cl N52 O51 S2 U3 -","- C440 H488 Cl4 N208 O204 S8 U12 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.1428","0.0881","","","0.2335","0.2746","","","","","","0.998","","","","has coordinates","274970","2022-05-05","20:29:39","" "7244323","18.3214","0.0007","17.8962","0.0007","22.4009","0.0009","90","","113.982","0.003","90","","6710.8","0.5","292.36","","292.36","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C55 H62 Br0.27 N27.74 O29.21 U2 -","- C55 H62 Br0.265 N27.735 O29.205 U2 -","- C220 H248 Br1.06 N110.94 O116.82 U8 -","4","1","","Li, Feize; Mei, Lei; Peng, Haiyue; Hu, Kongqiu; Chai, Zhifang; Liu, Ning","Impact of the proximity effect on uranyl coordination of conformationally variable weakly-bonded cucurbit[6]uril-bipyridinium pseudorotaxane","CrystEngComm","2022","24","10","1955","1965","10.1039/D1CE01330K","","","0.71073","MoKα","","0.0395","0.027","","","0.0578","0.0626","","","","","","1.0459","","","","has coordinates,has disorder","274970","2022-05-05","20:29:39","" "7244354","14.1375","0.0005","14.1375","0.0005","12.863","0.0005","90","","90","","90","","2570.91","0.16","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Cl4 N4 -","- C28 H18 Cl4 N4 -","- C112 H72 Cl16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.119","0.0467","","","0.0897","0.1087","","","","","","1.008","","","","has coordinates","272845","2022-02-07","23:38:40","" "7244355","14.2289","0.0006","14.2289","0.0006","13.1662","0.0008","90","","90","","90","","2665.6","0.2","100","2","100","2","","","","","","","","4","P 42/n :2","-P 4bc","86","","","","- C28 H18 Br4 N4 -","- C28 H18 Br4 N4 -","- C112 H72 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0584","0.0332","","","0.0781","0.0871","","","","","","1.012","","","","has coordinates","272845","2022-02-07","23:38:40","" "7244356","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","272845","2022-02-07","23:38:41","" "7244357","5.9329","0.0003","23.0822","0.0012","30.2786","0.0016","90","","90","","90","","4146.5","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 I4 N4 -","- C44 H38 I4 N4 -","- C176 H152 I16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0406","0.0274","","","0.0509","0.0578","","","","","","1.126","","","","has coordinates","272845","2022-02-07","23:38:41","" "7244358","5.8699","0.0002","22.6993","0.0009","29.706","0.0014","90","","90","","90","","3958.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C44 H38 Br4 N4 -","- C44 H38 Br4 N4 -","- C176 H152 Br16 N16 -","4","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0943","0.0514","","","0.0783","0.0878","","","","","","1.046","","","","has coordinates","272845","2022-02-07","23:38:41","" "7244359","15.4025","0.0009","5.8486","0.0003","22.1487","0.0013","90","","109.329","0.002","90","","1882.76","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 Cl4 N4 -","- C44 H38 Cl4 N4 -","- C88 H76 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Kumar, Sunil; Das, Dinabandhu","Selective inclusion of p-xylene by bis-hydrazone compounds","CrystEngComm","2022","24","6","1161","1165","10.1039/D1CE01569A","","","0.71073","MoKα","","0.0812","0.0456","","","0.0854","0.0956","","","","","","1.05","","","","has coordinates","272845","2022-02-07","23:38:41","" "7244368","11.8442","0.0007","12.6156","0.0008","15.127","0.001","100.928","0.001","111.907","0.001","99.186","0.001","1992.1","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","- C42 H36 Co2 N12 O48 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0983","0.0645","","","0.1658","0.1883","","","","","","1.027","","","","has coordinates","272848","2022-02-07","23:43:51","" "7244369","11.4528","0.0017","11.5586","0.0016","14.2713","0.0019","77.001","0.003","89.888","0.003","78.24","0.003","1800.3","0.4","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","- C32 H34 Co2 N12 O46 Si W12 -","1","0.5","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0496","","","0.0952","0.1091","","","","","","0.95","","","","has coordinates","272848","2022-02-07","23:43:52","" "7244370","12.4696","0.0014","13.3599","0.0014","20.487","0.002","86.843","0.002","73.656","0.002","85.335","0.002","3262.4","0.6","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Co N8 O44 Si W12 -","- C26 H26 Co N8 O44 Si W12 -","- C52 H52 Co2 N16 O88 Si2 W24 -","2","1","","Li, Lei; Zhang, Yue; Wang, Xiang; Xu, Na; Li, Xiao-Hui; Wang, Xiu-Li","Various amide derivatives induced Keggin-type SiW12O404−-based cobalt complexes: assembly, structure, electrochemical sensing and dye adsorption properties","CrystEngComm","2022","24","6","1195","1202","10.1039/D1CE01619A","","","0.71073","MoKα","","0.0714","0.0413","","","0.0797","0.0882","","","","","","0.969","","","","has coordinates","272848","2022-02-07","23:43:52","" "7244397","13.0905","0.0003","7.4207","0.0002","25.4832","0.0006","90","","99.499","0.001","90","","2441.51","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0405","0.0291","","","0.0664","0.0715","","","","","","1.022","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244398","13.134","0.0006","14.9016","0.0006","14.5799","0.0007","90","","96.515","0.003","90","","2835.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","1.54178","CuKα","","0.0806","0.055","","","0.1289","0.1437","","","","","","1.042","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244399","13.0807","0.0007","7.4178","0.0003","25.4738","0.0013","90","","99.502","0.002","90","","2437.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0323","0.0263","","","0.0654","0.069","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244400","13.1387","0.001","14.9262","0.001","14.6051","0.0011","90","","96.62","0.002","90","","2845.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0934","0.0409","","","0.0811","0.1011","","","","","","1.009","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244401","13.0941","0.0008","7.422","0.0004","25.495","0.0017","90","","99.487","0.002","90","","2443.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0604","0.0341","","","0.0671","0.078","","","","","","1.037","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244402","13.118","0.003","14.899","0.002","14.576","0.003","90","","96.581","0.009","90","","2830","1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C30 H11 B Cl6 N6 O -","- C30 H11 B Cl6 N6 O -","- C120 H44 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1968","0.0635","","","0.0834","0.12","","","","","","0.992","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244403","10.4119","0.0004","22.7476","0.0009","13.0866","0.0005","90","","98.274","0.001","90","","3067.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0666","0.038","","","0.0809","0.0934","","","","","","1.039","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244404","13.0845","0.0008","7.4155","0.0004","25.4585","0.0016","90","","99.476","0.002","90","","2436.5","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cl-Cl6BsubPc","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0688","0.037","","","0.0707","0.0811","","","","","","1.007","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244405","15.8551","0.0003","15.1122","0.0003","23.9203","0.0005","90","","90","","90","","5731.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0289","0.0255","","","0.0652","0.0665","","","","","","1.025","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244406","10.4162","0.0002","22.7272","0.0005","13.1011","0.0003","90","","98.322","0.001","90","","3068.78","0.11","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0615","0.037","","","0.0814","0.095","","","","","","1.033","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244407","15.8587","0.0003","15.1167","0.0003","23.9409","0.0005","90","","90","","90","","5739.4","0.2","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0366","0.0302","","","0.0751","0.0772","","","","","","1.032","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244408","10.4146","0.0007","22.7238","0.0013","13.0926","0.0009","90","","98.34","0.002","90","","3065.7","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.101","0.0431","","","0.0819","0.1028","","","","","","1.026","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244409","12.5724","0.0006","20.9451","0.001","14.521","0.0008","90","","115.589","0.002","90","","3448.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","PhO-Cl6BsubPc","","- C36.71 H23.76 B Cl6.3 N6 O -","- C36.705 H23.755 B Cl6.295 N6 O -","- C146.82 H95.02 B4 Cl25.18 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.1119","0.0506","","","0.1209","0.1607","","","","","","1.068","","","","has coordinates,has disorder","274972","2022-05-05","20:31:07","" "7244410","15.891","0.0005","15.1094","0.0005","23.9482","0.0007","90","","90","","90","","5750","0.3","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0329","0.0301","","","0.0787","0.0801","","","","","","1.044","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244411","10.4152","0.0003","22.7421","0.0007","13.1005","0.0004","90","","98.286","0.001","90","","3070.64","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","NaphO-Cl6BsubPc","","- C34 H13 B Cl6 N6 O -","- C34 H13 B Cl6 N6 O -","- C136 H52 B4 Cl24 N24 O4 -","4","1","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.0504","0.0327","","","0.0745","0.0829","","","","","","1.024","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244412","15.8915","0.0006","15.1172","0.0006","23.9514","0.0009","90","","90","","90","","5754","0.4","150","2","150","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","IPhO-Cl6BsubPc","","- C30 H10 B Cl6 I N6 O -","- C30 H10 B Cl6 I N6 O -","- C240 H80 B8 Cl48 I8 N48 O8 -","8","2","","Wojtkiewicz, Kacper; Lough, Alan; Bender, Timothy P.","Analysis of the solvent effects on the crystal growth of peripherally chlorinated boron subphthalocyanines","CrystEngComm","2022","24","15","2791","2807","10.1039/D1CE01320C","","","0.71073","MoKα","","0.032","0.0284","","","0.0735","0.075","","","","","","1.04","","","","has coordinates","274972","2022-05-05","20:31:07","" "7244421","6.728","0.003","9.172","0.005","10.765","0.006","106.416","0.014","91.946","0.013","91.011","0.01","636.6","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","4-cyanophenyl 4-(methylthio)benzoate","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C30 H22 N2 O4 S2 -","2","1","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","","0.71075","MoKα","","0.0551","0.0515","","","0.1247","0.1275","","","","","","1.202","","","","has coordinates","274971","2022-05-05","20:29:55","" "7244422","22.6272","0.0012","5.4014","0.0003","7.6641","0.0004","90","","95.178","0.005","90","","932.87","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,4-phenylene bis(4-(methylthio)benzoate)","","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","- C44 H36 O8 S4 -","1","0.25","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0344","0.0314","","","0.0817","0.0835","","","","","","1.065","","","","has coordinates","274971","2022-05-05","20:30:05","" "7244423","9.3222","0.0003","13.9997","0.0005","13.3672","0.0005","90","","99.663","0.004","90","","1719.78","0.11","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","1SCB","","","- C14 H11 N S -","- C14 H11 N S -","- C84 H66 N6 S6 -","6","3","","Arakawa, Yuki; Ishida, Yuko; Shiba, Takuma; Igawa, Kazunobu; Sasaki, Shunsuke; Tsuji, Hideto","Effects of alkylthio groups on phase transitions of organic molecules and liquid crystals: a comparative study with alkyl and alkoxy groups","CrystEngComm","2022","24","10","1877","1890","10.1039/D1CE01470F","","x-ray","0.71073","MoKα","","0.0547","0.0439","","","0.1201","0.1276","","","","","","0.916","","","","has coordinates","274971","2022-05-05","20:30:05","" "7244437","9.9844","0.0003","11.0973","0.0002","12.3341","0.0003","98.816","0.002","106.224","0.002","101.344","0.0019","1254.7","0.06","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0445","0.0278","","","0.059","0.0658","","","","","","1.0278","","","","has coordinates","274974","2022-05-05","20:32:27","" "7244438","9.688","0.002","10.331","0.002","12.372","0.003","97.57","0.02","104.512","0.019","102.93","0.02","1145","0.5","298","","298","","992","","992","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1126","0.0994","","","0.2185","0.2264","","","","","","1.131","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244439","9.645","0.005","10.125","0.006","12.395","0.006","96.68","0.05","104.09","0.05","104.23","0.05","1117.8","1.1","298","","298","","1590","","1590","","","","","5","P -1","-P 1","2","","","","- C24 H8 Au2 Cu N8 -","- C24 H15 Au2 Cu N8 -","- C48 H30 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2352","0.1856","","","0.3703","0.4134","","","","","","1.169","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244440","7.8055","0.0007","18.3374","0.0016","22.0881","0.0017","90","","90","","90","","3161.5","0.5","342.9","0.7","342.9","0.7","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0592","0.038","","","0.0744","0.0818","","","","","","1.036","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244441","9.916","0.002","10.95","0.003","12.278","0.002","98.765","0.019","105.877","0.017","101.38","0.02","1226.6","0.5","298","","298","","100","","100","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.1023","0.0874","","","0.1978","0.2056","","","","","","1.127","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244442","9.64","0.006","10.225","0.007","12.417","0.008","97.79","0.07","103.42","0.06","104.21","0.07","1129.8","1.4","298","","298","","1340","","1340","","","","","5","P -1","-P 1","2","","","","- C24 H17 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.2059","0.1601","","","0.3583","0.3884","","","","","","1.033","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244443","20.838","0.0015","13.0922","0.0005","16.616","0.001","90","","103.178","0.007","90","","4413.7","0.5","298","","298","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H30 Au2 Cu F6 N10 O S -","- C44 H30 Au2 Cu F6 N10 O S -","- C176 H120 Au8 Cu4 F24 N40 O4 S4 -","4","0.5","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.066","0.0376","","","0.0671","0.0769","","","","","","1.028","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28","" "7244444","9.9689","0.0003","11.1085","0.0004","12.3564","0.0004","98.799","0.003","106.251","0.003","101.677","0.003","1254.1","0.08","343","5","343","5","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0619","0.0364","","","0.0654","0.0733","","","","","","1.035","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244445","9.9382","0.0003","10.9997","0.0003","12.2677","0.0003","99.233","0.002","106.193","0.002","100.783","0.002","1232.57","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0514","0.0454","","","0.1224","0.1268","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244446","9.953","0.0003","11.0325","0.0003","12.3018","0.0004","99.041","0.002","106.26","0.003","100.966","0.002","1240.98","0.07","230","","230","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Au2 Cu N8 -","- C24 H16 Au2 Cu N8 -","- C48 H32 Au4 Cu2 N16 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0422","0.0356","","","0.0864","0.0904","","","","","","1.044","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244447","7.7631","0.001","18.2826","0.0019","22.013","0.002","90","","90","","90","","3124.3","0.6","298","","298","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.056","0.0391","","","0.0814","0.0896","","","","","","1.0818","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28","" "7244448","11.1876","0.0007","11.8612","0.0008","12.4954","0.0007","98.846","0.005","101.818","0.005","97.377","0.005","1581.6","0.18","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Au2 Cu N8 O3 -","- C28 H30 Au2 Cu N8 O3 -","- C56 H60 Au4 Cu2 N16 O6 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0737","0.0427","","","0.0531","0.0624","","","","","","0.982","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244449","7.7326","0.0002","18.2993","0.0006","22.0376","0.0006","90","","90","","90","","3118.35","0.16","200","","200","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C28 H16 Au2 Cu Hg2 N12 -","- C28 H16 Au2 Cu Hg2 N12 -","- C112 H64 Au8 Cu4 Hg8 N48 -","4","0.25","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.047","0.038","","","0.0783","0.0814","","","","","","1.16","","","","has coordinates,has disorder","274974","2022-05-05","20:32:28","" "7244450","15.2706","0.001","14.29","0.0006","12.7118","0.001","90","","114.476","0.009","90","","2524.6","0.3","298","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Au2 Cu N8 O -","- C24 H18 Au2 Cu N8 O -","- C96 H72 Au8 Cu4 N32 O4 -","4","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","","0.71073","MoKα","","0.0673","0.036","","","0.0551","0.0639","","","","","","0.994","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244451","11.7397","0.0011","12.2661","0.0014","13.3343","0.0017","87.894","0.01","75.657","0.009","64.038","0.01","1666.9","0.4","295","5","295","5","","","","","","","","5","P -1","-P 1","2","","","","- C32 H21 Au2 Cu2 N11 -","- C32 H21 Au2 Cu2 N11 -","- C64 H42 Au4 Cu4 N22 -","2","1","","Priola, Emanuele; Curetti, Nadia; Marabello, Domenica; Andreo, Jacopo; Giordana, Alessia; Andreo, Luca; Benna, Piera; Freire, Paulo Tarso Cavalcante; Benzi, Paola; Operti, Lorenza; Diana, Eliano","Crystal engineering of aurophilic supramolecular architectures and coordination polymers based on butterfly-like copper–dicyanoaurate complexes: vapochromism, P–T behaviour and multi-metallic cocrystal formation","CrystEngComm","2022","24","12","2336","2348","10.1039/D1CE00964H","","x-ray","0.71073","MoKα","","0.0992","0.0539","","","0.1329","0.1903","","","","","","1.025","","","","has coordinates","274974","2022-05-05","20:32:28","" "7244501","8.1444","0.0001","14.7371","0.0002","18.1313","0.0003","90","","90","","90","","2176.21","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0365","0.0329","","","0.0882","0.0918","","","","","","1.089","","","","has coordinates","274973","2022-05-05","20:32:04","" "7244502","9.6737","0.0002","13.7426","0.0003","17.4902","0.0004","90","","90","","90","","2325.18","0.09","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Br O2 -","- C28 H33 Br O2 -","- C112 H132 Br4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0383","0.0311","","","0.0753","0.0781","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244503","7.4163","0.0002","24.3559","0.0006","26.0244","0.0006","90","","90","","90","","4700.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C224 H256 Br8 Cl8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0574","0.0387","","","0.067","0.0754","","","","","","1.056","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244504","9.6037","0.0002","14.6224","0.0004","16.3071","0.0004","90","","90","","90","","2289.99","0.1","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0453","0.0386","","","0.103","0.1084","","","","","","1.064","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05","" "7244505","7.3425","0.0004","19.7162","0.0012","31.4052","0.0019","90","","90","","90","","4546.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C224 H256 Cl8 F8 O16 -","8","2","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0867","0.0637","","","0.154","0.1694","","","","","","1.027","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244506","7.5823","0.0002","12.3043","0.0004","24.7321","0.0008","90","","90","","90","","2307.38","0.12","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl2 O2 -","- C28 H32 Cl2 O2 -","- C112 H128 Cl8 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0471","0.0387","","","0.0891","0.0949","","","","","","1.043","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244507","16.9823","0.0003","19.7469","0.0004","7.0709","0.0001","90","","90","","90","","2371.21","0.07","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C28 H32 Br O2.5 -","- C28.0006 H32.0005 Br1.0001 O2.5 -","- C112.002 H128.002 Br4.0004 O10 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0631","0.0437","","","0.1099","0.121","","","","","","1.031","","","","has coordinates,has disorder","274973","2022-05-05","20:32:05","" "7244508","9.5984","0.0002","13.7895","0.0004","17.3969","0.0004","90","","90","","90","","2302.6","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0403","0.0352","","","0.0836","0.0877","","","","","","1.054","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244509","7.5079","0.0002","10.4189","0.0003","30.1049","0.0009","90","","90","","90","","2354.93","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Br Cl O2 -","- C28 H32 Br Cl O2 -","- C112 H128 Br4 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0553","0.0386","","","0.0788","0.0873","","","","","","1.018","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244510","8.2415","0.0003","14.6409","0.0006","17.9646","0.0008","90","","90","","90","","2167.66","0.15","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H31 F O2 -","- C28 H31 F O2 -","- C112 H124 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0728","0.0498","","","0.1137","0.128","","","","","","1.036","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244511","8.1994","0.0002","9.5995","0.0002","29.1554","0.0007","90","","90","","90","","2294.83","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl F O2 -","- C28 H32 Cl F O2 -","- C112 H128 Cl4 F4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0538","0.0403","","","0.0945","0.1027","","","","","","1.068","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244512","7.357","0.0001","15.9989","0.0003","19.5774","0.0004","90","","90","","90","","2304.34","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl O2 -","- C28 H33 Cl O2 -","- C112 H132 Cl4 O8 -","4","1","","Vorontsova, Svetlana K.; Zavarzin, Igor V.; Shirinian, Valerii Z.; Bozhenko, Eugene I.; Andreeva, Olga E.; Sorokin, Danila V.; Scherbakov, Alexander M.; Minyaev, Mikhail E.","Synthesis and crystal structures of D-annulated pentacyclic steroids: looking within and beyond AR signalling in prostate cancer","CrystEngComm","2022","24","11","2089","2099","10.1039/D1CE01417J","","","0.71073","MoKα","","0.0497","0.0402","","","0.0988","0.1061","","","","","","1.029","","","","has coordinates","274973","2022-05-05","20:32:05","" "7244522","32.7746","0.0006","8.1052","0.0001","8.3503","0.0002","90","","95.503","0.002","90","","2207.99","0.07","173","","173.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Br4 F2 N2 Pb -","- C16 H22 Br4 F2 N2 Pb -","- C64 H88 Br16 F8 N8 Pb4 -","4","0.5","","Wang, Yuyin; Su, Bin; Lin, Guoming; Lou, Huiru; Wang, Shouxin; Yue, Cheng-Yang; Lei, Xiaowu","Exploring the Ruddlesden–Popper layered organic–inorganic hybrid semiconducting perovskite for visible-blind ultraviolet photodetection","CrystEngComm","2022","24","12","2258","2263","10.1039/D1CE01431E","","","1.54184","CuKα","","0.0807","0.0796","","","0.1819","0.1855","","","","","","0.996","","","","has coordinates","274975","2022-05-05","20:32:35","" "7244524","16.8521","0.0004","11.9552","0.0002","26.6656","0.0006","90","","108.107","0.003","90","","5106.3","0.2","293","2","293","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C16 H19.67 N3 O4.33 S -","- C16 H19.6667 N3 O4.33333 S -","- C192 H236 N36 O52 S12 -","12","3","","Ji, Xiongtao; Wang, Jingkang; Wang, Ting; Huang, Xin; Li, Xin; Wang, Na; Huang, Yunhai; Li, Rui; Zhao, Bugui; Zhang, Tao; Hao, Hongxun","Understanding the role of solvent in regulating the crystal habit","CrystEngComm","2022","24","12","2226","2240","10.1039/D1CE01486B","","","1.54184","CuKα","","0.0555","0.053","","","0.1478","0.1515","","","","","","1.035","","","","has coordinates","274976","2022-05-05","20:32:43","" "7244654","19.7085","0.0008","12.403","0.0006","32.0285","0.0014","90","","90","","90","","7829.2","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C46 H48 Li N4 -","- C46 H48 Li N4 -","- C368 H384 Li8 N32 -","8","2","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","1.54184","CuKα","","0.1121","0.0883","","","0.1957","0.2116","","","","","","1.058","","","","has coordinates,has disorder","273879","2022-03-21","23:40:08","" "7244655","9.6059","0.0003","17.2348","0.0006","23.4133","0.0008","90","","100.209","0.001","90","","3814.8","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 K N4 -","- C46 H48 K N4 -","- C184 H192 K4 N16 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0646","0.0447","","","0.0978","0.1068","","","","","","1.015","","","","has coordinates","273879","2022-03-21","23:40:09","" "7244656","18.7293","0.0011","12.8174","0.0008","19.6609","0.0012","90","","103.238","0.002","90","","4594.4","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N6 Na -","- C56 H56 N6 Na -","- C224 H224 N24 Na4 -","4","1","","Bazyakina, Natalia L.; Moskalev, Mikhail V.; Cherkasov, Anton V.; Makarov, Valentin M.; Fedushkin, Igor L.","Coordination polymers derived from alkali metal complexes of redox-active ligands","CrystEngComm","2022","24","12","2297","2304","10.1039/D1CE01698A","","","0.71073","MoKα","","0.0707","0.0482","","","0.1012","0.1112","","","","","","1.044","","","","has coordinates","273879","2022-03-21","23:40:09","" "7244998","11.6739","0.0009","16.4155","0.0012","9.8625","0.0007","90","","108.505","0.002","90","","1792.3","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N4 O10 -","- C16 H16 N4 O10 -","- C64 H64 N16 O40 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1125","0.0554","","","0.099","0.1184","","","","","","1.056","","","","has coordinates","275692","2022-05-30","22:37:46","" "7244999","29.0184","0.0013","9.5952","0.0005","16.245","0.0008","90","","120.293","0.001","90","","3905.6","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cd N4 O11 -","- C17 H14 Cd N4 O11 -","- C136 H112 Cd8 N32 O88 -","8","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0705","0.037","","","0.0609","0.0692","","","","","","1.017","","","","has coordinates","275692","2022-05-30","22:37:46","" "7245000","8.0763","0.0004","13.5075","0.0007","14.4614","0.0007","102.125","0.002","98.222","0.002","105.058","0.002","1456.47","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Cu N4 O12 -","- C17 H16 Cu N4 O12 -","- C34 H32 Cu2 N8 O24 -","2","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.1024","0.079","","","0.1826","0.1936","","","","","","1.021","","","","has coordinates","275692","2022-05-30","22:37:47","" "7245001","11.2472","0.0005","29.3","0.0016","13.5309","0.0007","90","","104.223","0.002","90","","4322.3","0.4","172","2","172","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C37 H35 N9 Nd O23 -","- C37 H35 N9 Nd O23 -","- C148 H140 N36 Nd4 O92 -","4","1","","Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili","Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative","CrystEngComm","2022","24","21","3953","3961","10.1039/D2CE00464J","","","0.71073","MoKα","","0.0596","0.04","","","0.0582","0.0628","","","","","","1.032","","","","has coordinates,has disorder","275692","2022-05-30","22:37:47",""