# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-25T07:30:41+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 'Acta Crystallographica Section C Structural Chemistry') AND volume = 74 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
"2020878","8.181","0.004","12.168","0.005","22.99","0.01","90","","92.197","0.007","90","","2286.9","1.8","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Dichloridobis(1,2,5-thiadiazolo[3,4-f][1,10]phenanthroline-κ^2^N^1^,N^10^)copper(II)","","- C24 H12 Cl2 Cu N8 S2 -","- C24 H12 Cl2 Cu N8 S2 -","- C96 H48 Cl8 Cu4 N32 S8 -","4","0.5","FP3044","Bhat, Satish S.; Revankar, Vidyanand K.; Kumbar, Vijay; Bhat, Kishore; Kawade, Vitthal A.","Synthesis, crystal structure and biological properties of a cis-dichloridobis(diimine)copper(II) complex","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018551","","","0.71073","MoKα","","0.0483","0.0426","","","0.1116","0.1162","","","","","","1.036","","","","has coordinates,has Fobs","205154","2020-10-21","18:00:00",""
"2020879","22.0884","0.0006","22.0884","0.0006","22.0884","0.0006","90","","90","","90","","10776.9","0.5","100","2","100","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","Tris[N-(2-hydroxyethyl)-2,2'-iminodiiethanolato]tris(2,2',2''-\ nitrilotriethanolato)tetrairon(II)triiron(III) bis(perchlorate)","","- C36 H75 Cl2 Fe7 N6 O26 -","- C36 H75 Cl2 Fe7 N6 O26 -","- C288 H600 Cl16 Fe56 N48 O208 -","8","0.333333","QF3003","van der Horn, Jitschaq A.; Lutz, Martin","Triethanolaminate iron perchlorate revisited: change of space group, chemical composition and oxidation states in [Fe~7~(tea)~3~(tea-H)~3~](ClO~4~)~2~ (tea-H~3~ is triethanolamine)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018460","","","0.71073","MoKα","","0.047","0.0279","","","0.0629","0.0695","","","","","","1.022","","","","has coordinates,has Fobs","205155","2020-10-21","18:00:00",""
"2020880","5.9328","0.0012","10.245","0.002","10.853","0.002","105.33","0.03","103.2","0.03","94","0.03","613.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(methanol-κO)bis[5-(3-phenylprop-2-enamido)-1H-1,2,3,4-tetrazol-1-ido-κ^2^N^1^,O]manganese(II)","","- C22 H24 Mn N10 O4 -","- C22 H24 Mn N10 O4 -","- C22 H24 Mn N10 O4 -","1","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0625","0.055","","","0.1108","0.1152","","","","","","1.087","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020881","9.1343","0.0018","14.26","0.003","16.985","0.003","90","","91.3","0.03","90","","2211.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis[μ-5-(3-phenylprop-2-enamido)-1H-1,2,3,4-tetrazol-1-ido]-κ^3^N^1^,O:N^2^;κ^3^N^2^:N^1^,O-bis{aqua[5-(3-phenylprop-2-enamido)-1H-1,2,3,4-tetrazol-1-ido-κ^2^N^1^,O]lead(II)}","","- C40 H36 N20 O6 Pb2 -","- C40 H36 N20 O6 Pb2 -","- C80 H72 N40 O12 Pb4 -","2","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0353","0.0331","","","0.0904","0.0921","","","","","","1.002","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020882","20.035","0.004","13.401","0.003","25.119","0.005","90","","106.58","0.03","90","","6464","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexakis[μ~2~-5-(3-phenylprop-2-enamido)-1H-1,2,3,4-tetrazol-1-ido-κ^3^N^1^,O:N^2^]tricadmium(II)","","- C60 H48 Cd3 N30 O6 -","- C60 H48 Cd3 N30 O6 -","- C240 H192 Cd12 N120 O24 -","4","0.5","YF3129","Lin, Xiao-Ying; Zheng, Qin-Qin; Gong, Ling-Zhu; Liu, Ya-Min; Liu, Min-Yi; Liu, Xin-Zhong","Manganese(II), lead(II) and cadmium(II) coordination complexes containing a tetrazole-based acylamide ligand: synthesis and the influence of the metal ions on the structures","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018101","","","0.71073","MoKα","","0.0444","0.0301","","","0.0642","0.0692","","","","","","1.015","","","","has coordinates,has Fobs","205156","2020-10-21","18:00:00",""
"2020883","16.4233","0.0014","11.5002","0.0009","7.6203","0.0006","90","","91.914","0.007","90","","1438.5","0.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca O8 -","- C14 H14 Ca O8 -","- C56 H56 Ca4 O32 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0305","0.0267","","","0.0653","0.0676","","","","","","1.083","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020884","16.4335","0.0007","11.4974","0.0004","7.6301","0.0003","90","","91.778","0.004","90","","1440.96","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.96 O8 Sr0.04 -","- C14 H14 Ca0.959 O8 Sr0.041 -","- C56 H56 Ca3.836 O32 Sr0.164 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.022","0.0211","","","0.0545","0.0551","","","","","","1.068","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020885","16.4344","0.0003","11.4853","0.0002","7.6417","0.0002","90","","91.785","0.002","90","","1441.7","0.05","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.92 O8 Sr0.08 -","- C14 H14 Ca0.917 O8 Sr0.083 -","- C56 H56 Ca3.668 O32 Sr0.332 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0224","0.0211","","","0.0524","0.053","","","","","","1.08","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020886","16.4921","0.001","11.5345","0.0008","7.6679","0.0005","90","","91.838","0.006","90","","1457.9","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.83 O8 Sr0.17 -","- C14 H14 Ca0.835 O8 Sr0.165 -","- C56 H56 Ca3.34 O32 Sr0.66 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0418","0.0364","","","0.0861","0.093","","","","","","1.086","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020887","16.5626","0.0013","11.4921","0.001","7.7041","0.0007","90","","91.588","0.008","90","","1465.8","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.69 O8 Sr0.31 -","- C14 H14 Ca0.694 O8 Sr0.306 -","- C56 H56 Ca2.776 O32 Sr1.224 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0257","0.0238","","","0.055","0.0559","","","","","","1.107","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020888","16.5994","0.001","11.4832","0.0006","7.765","0.0005","90","","91.555","0.005","90","","1479.57","0.15","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.47 O8 Sr0.53 -","- C14 H14 Ca0.471 O8 Sr0.529 -","- C56 H56 Ca1.884 O32 Sr2.116 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0316","0.027","","","0.0566","0.0581","","","","","","1.117","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020889","16.6319","0.0006","11.4995","0.0004","7.7729","0.0003","90","","91.599","0.004","90","","1486.05","0.09","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.37 O8 Sr0.63 -","- C14 H14 Ca0.368 O8 Sr0.632 -","- C56 H56 Ca1.472 O32 Sr2.528 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0228","0.0208","","","0.0512","0.0522","","","","","","1.061","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020890","16.665","0.0011","11.4816","0.0007","7.8105","0.0005","90","","91.576","0.006","90","","1493.9","0.16","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.21 O8 Sr0.79 -","- C14 H14 Ca0.211 O8 Sr0.789 -","- C56 H56 Ca0.844 O32 Sr3.156 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0277","0.0243","","","0.0522","0.0535","","","","","","1.06","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020891","16.6693","0.0009","11.4865","0.0007","7.8446","0.0004","90","","91.51","0.005","90","","1501.5","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquacalcium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ca0.17 O8 Sr0.83 -","- C14 H14 Ca0.165 O8 Sr0.835 -","- C56 H56 Ca0.66 O32 Sr3.34 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0322","0.0274","","","0.0625","0.0645","","","","","","1.075","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020892","16.7182","0.0006","11.4644","0.0004","7.8627","0.0003","90","","91.66","0.003","90","","1506.37","0.09","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquastrontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 O8 Sr -","- C14 H14 O8 Sr -","- C56 H56 O32 Sr4 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","1.5418","CuKα","","0.0276","0.0273","","","0.073","0.0732","","","","","","1.172","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020893","16.8381","0.0007","11.4349","0.0005","7.9433","0.0003","90","","91.28","0.004","90","","1529.04","0.11","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[[diaquabarium(II)/strontium(II)]-bis(μ~2~-2-hydroxybenzoato)]","","- C14 H14 Ba0.27 O8 Sr0.73 -","- C14 H14 Ba0.271 O8 Sr0.729 -","- C56 H56 Ba1.084 O32 Sr2.916 -","4","0.5","EG3233","Allan, Pamela; Arlin, Jean-Baptiste; Kennedy, Alan R.; Walls, Aiden","Mixed Ca/Sr salt forms of salicylic acid: tuning structure and aqueous solubility","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018265","","","0.71073","MoKα","","0.0227","0.0207","","","0.0434","0.0439","","","","","","1.171","","","","has coordinates,has Fobs","205157","2020-10-21","18:00:00",""
"2020894","12.6989","0.0004","13.0236","0.0006","14.1585","0.0005","90","","90","","90","","2341.61","0.15","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","2,2'-Methylenedihydrazinecarboximidamide dinitrate","2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate","","- C3 H14 N10 O6 -","- C3 H14 N10 O6 -","- C24 H112 N80 O48 -","8","1","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.0832","0.0518","","","0.1003","0.1146","","","","","","1.046","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2020895","8.4242","0.0001","10.0515","0.0002","13.1557","0.0002","90","","90","","90","","1113.97","0.03","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","1,2-Bis(diaminomethylidene)hydrazine-1,2-diium tetrachloridocuprate(II)","","- C2 H10 Cl4 Cu N6 -","- C2 H10 Cl4 Cu N6 -","- C8 H40 Cl16 Cu4 N24 -","4","0.5","JX3005","Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.","Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018514","","","0.71073","MoKα","","0.026","0.0239","","","0.0605","0.0613","","","","","","1.177","","","","has coordinates,has Fobs","205158","2020-10-21","18:00:00",""
"2020942","20.0932","0.0009","7.1128","0.0003","10.4548","0.0004","90","","96.857","0.001","90","","1483.5","0.11","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[diaqua[μ~4~-2,5-bis(1H-1,2,4-triazol-1-yl)terephthalato-κ^4^O^1^:O^4^:N^4^:N^4'^]cadmium(II)]","","- C12 H10 Cd N6 O6 -","- C12 H10 Cd N6 O6 -","- C48 H40 Cd4 N24 O24 -","4","0.5","EG3232","Meng, Li; Zhu, Miao-Li; Lu, Li-Ping","Synthesis, crystal structure and characterization of a three-dimensional Cd^II^ coordination polymer constructed from 2,5-bis(1H-1,2,4-triazol-1-yl)terephthalate","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000025","","","0.71073","MoKα","","0.0172","0.0156","","","0.0379","0.0386","","","","","","1.102","","","","has coordinates,has Fobs","205352","2020-10-21","18:00:00",""
"2020943","23.3641","0.0008","10.0825","0.0003","21.4524","0.0007","90","","115.885","0.001","90","","4546.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3RS)-4-(2-Allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione","","- C28 H28 N2 O2 -","- C28 H28 N2 O2 -","- C224 H224 N16 O16 -","8","2","YF3132","Acosta Quintero, Lina M.; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A versatile synthesis of cyclic dipeptides using the stepwise construction of the piperazine-2,5-dione ring from simple precursors: synthetic sequence and the structure of a representative product, (3RS)-4-(2-allyl-3,5-dimethylphenyl)-1-benzyl-3-phenylpiperazine-2,5-dione","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000037","","","0.71073","MoKα","","0.0787","0.049","","","0.1034","0.1173","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","205353","2020-10-21","18:00:00",""
"2020944","3.761","0.0003","13.2538","0.0009","18.8657","0.0019","90","","91.226","0.009","90","","940.19","0.14","105.6","","105.6","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-Bis(1,3-diazaazulen-2-yl)benzene","2-[4-(Cyclohepta[d]imidazol-2-yl)phenyl]cyclohepta[d]imidazole","","- C22 H14 N4 -","- C22 H14 N4 -","- C44 H28 N8 -","2","0.5","LF3067","Sun, Peili; Zhang, Zongyao; Luo, Hongxia; Zhang, Pu; Qin, Yujun; Guo, Zhi-Xin","Synthesis, crystal structure and photophysical properties of 1,4-bis(1,3-diazaazulen-2-yl)benzene: a new π building block","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617018459","","","0.7107","MoKα","","0.0694","0.0535","","","0.1457","0.1551","","","","","","1.062","","","","has coordinates,has Fobs","205354","2020-10-21","18:00:00",""
"2020945","13.771","0.0004","13.9822","0.0004","14.7181","0.0005","81.074","0.003","79.523","0.003","73.152","0.003","2651.24","0.15","290","2","290","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[aquatetrakis(μ~3~-1,1-dioxo-1,2-benzisothiazole-3-thiolato-κ^3^N:S^3^:S^3^)tetrasilver(I)]-μ~2~-4,4'-(propane-1,3-dyl)dipyridine-κ^2^N:N'] dimethyl sulfoxide hemisolvate]","","- C42 H35 Ag4 N6 O9.5 S8.5 -","- C42 H35 Ag4 N6 O9.5 S8.5 -","- C84 H70 Ag8 N12 O19 S17 -","2","1","","Dennehy, Mariana; Amo-Ochoa, Pilar; Freire, Eleonora; Suárez, Sebastián; Halac, Emilia; Baggio, Ricardo","Structure and electrical properties of a one-dimensional polymeric silver thiosaccharinate complex with argentophilic interactions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000128","","","0.71073","MoKα","","0.1021","0.0558","","","0.1294","0.158","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","205400","2020-10-21","18:00:00",""
"2020946","4.9216","0.0003","8.5949","0.0006","12.1187","0.0007","108.61","0.006","97.243","0.005","92.752","0.005","479.82","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","Beta-alanine-DL-tartaric acid (1:1) (III)","Beta-alanine-DL-tartaric acid (1:1) (III)","","- C7 H13 N O8 -","- C7 H13 N O8 -","- C14 H26 N2 O16 -","2","1","","Losev, Evgeniy; Boldyreva, Elena","The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and DL-α-aminobutyric acid (AABA)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617017909","","x-ray","0.71073","MoKα","","0.0499","0.0397","","","0.0968","0.1066","","","","","","1.04","","","","has coordinates","205401","2020-10-21","18:00:00",""
"2020947","4.9336","0.0002","10.0324","0.0007","11.3232","0.0007","103.464","0.006","94.31","0.005","99.766","0.005","533.29","0.06","293","","293","","","","","","","","","4","P -1","-P 1","2","DL-2-aminobutyric acid-DL-tartaric acid (1:1)","DL-2-aminobutyric acid-DL-tartaric acid (1:1)","","- C8 H15 N O8 -","- C8 H15 N O8 -","- C16 H30 N2 O16 -","2","1","","Losev, Evgeniy; Boldyreva, Elena","The effect of amino acid backbone length on molecular packing: crystalline tartrates of glycine, β-alanine, γ-aminobutyric acid (GABA) and DL-α-aminobutyric acid (AABA)","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229617017909","","x-ray","0.71073","MoKα","","0.0401","0.0338","","","0.0818","0.0855","","","","","","1.031","","","","has coordinates,has disorder","205401","2020-10-21","18:00:00",""
"2020948","14.444","0.004","17.342","0.004","19.351","0.005","68.318","0.004","70.484","0.003","75.994","0.003","4206.4","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaquapentakis[μ-5,5'-bis(pyridin-4-yl)-2,2'-bithiophene-κ^2^N:N']bis(nitrato-κ^2^O,O')tetrakis(μ~3~-4,4'-oxydibenzoato)-κ^10^O:O,O':O'',O''';κ^6^O:O':O''-pentacadmium(II)]","","- C152 H110 Cd5 N14 O30 S10 -","- C146 H96 Cd5 N12 O28 S10 -","- C146 H96 Cd5 N12 O28 S10 -","1","0.5","LF3063","Ji, Ning-Ning; Shi, Zhi-Qiang; Hu, Hai-Liang","A new Cd^II^ coordination polymer with a self-penetrating architecture induced by the molecular conformation of a rigid bithiophene ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001006","","","0.71073","MoKα","","0.0808","0.0437","","","0.0911","0.0998","","","","","","1.017","","","","has coordinates,has Fobs","205531","2020-10-21","18:00:00",""
"2020949","9.7868","0.0009","13.9567","0.0012","13.3764","0.0011","90","","101.816","0.002","90","","1788.4","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide","","- C20 H16 Cl N O2 S -","- C20 H16 Cl N O2 S -","- C80 H64 Cl4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.1017","0.0447","","","0.1007","0.1307","","","","","","1.002","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020950","10.7264","0.0006","9.1208","0.0005","22.9103","0.0015","90","","94.414","0.002","90","","2234.7","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-4-phenylbenzamide","","- C26 H20 Cl N O2 S -","- C26 H20 Cl N O2 S -","- C104 H80 Cl4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0767","0.0468","","","0.1096","0.1295","","","","","","1.044","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020951","18.8096","0.001","11.5021","0.0007","19.9112","0.0011","90","","118.03","0.002","90","","3802.5","0.4","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2-Bromo-N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]benzamide","","- C20 H15 Br Cl N O2 S -","- C20 H15 Br Cl N O2 S -","- C160 H120 Br8 Cl8 N8 O16 S8 -","8","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0952","0.0446","","","0.101","0.1222","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020952","8.1813","0.0006","11.8276","0.0007","20.1347","0.0012","90","","94.388","0.002","90","","1942.6","0.2","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","N-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-iodobenzamide","","- C20 H15 Cl I N O2 S -","- C20 H15 Cl I N O2 S -","- C80 H60 Cl4 I4 N4 O8 S4 -","4","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0803","0.0446","","","0.1081","0.1278","","","","","","1.016","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020953","7.4798","0.0003","11.4237","0.0005","12.0933","0.0005","105.814","0.002","101.959","0.003","99.187","0.003","946.66","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","N-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2-methoxybenzamide","","- C21 H18 Cl N O3 S -","- C21 H18 Cl N O3 S -","- C42 H36 Cl2 N2 O6 S2 -","2","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.0939","0.0451","","","0.0985","0.1213","","","","","","1.025","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020954","58.0164","0.001","7.8002","0.0002","16.1365","0.0003","90","","92.105","0.001","90","","7297.5","0.3","294","2","294","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","N-[3-(2-Chlorobenzoyl)-5-ethylthiophen-2-yl]-2,6-difluorobenzamide","","- C20 H14 Cl F2 N O2 S -","- C20 H14 Cl F2 N O2 S -","- C320 H224 Cl16 F32 N16 O32 S16 -","16","2","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","1.54178","CuKα","","0.119","0.0659","","","0.1349","0.1587","","","","","","1.028","","","","has coordinates,has disorder,has Fobs","205532","2020-10-21","18:00:00",""
"2020955","8.1296","0.0006","9.5899","0.0006","10.8824","0.0008","66.84","0.004","71.533","0.004","71.35","0.004","721.1","0.09","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","Benzotriazol-1-yl 3,4-dimethoxybenzoate","","- C15 H13 N3 O4 -","- C15 H13 N3 O4 -","- C30 H26 N6 O8 -","2","1","SK3680","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Synthesis and structures of six closely related N-[3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl]arylamides, together with an isolated reaction intermediate: order versus disorder, molecular conformations and hydrogen bonding in zero, one and two dimensions","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000657","","","0.71073","MoKα","","0.1064","0.0519","","","0.1241","0.1561","","","","","","1.029","","","","has coordinates,has Fobs","205532","2020-10-21","18:00:00",""
"2020956","6.0838","0.0008","9.3592","0.0013","6.0632","0.0009","90","","113.543","0.003","90","","316.5","0.08","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Lithium chloride dihydrate","","- Cl H4 Li O2 -","- Cl H4 Li O2 -","- Cl4 H16 Li4 O8 -","4","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0152","0.0147","","","0.0372","0.0374","","","","","","1.087","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020957","5.3001","0.0011","6.397","0.0019","6.406","0.0015","63.694","0.01","82.044","0.007","65.567","0.005","177","0.08","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","Lithium bromide dihydrate","","- Br H4 Li O2 -","- Br H4 Li O2 -","- Br2 H8 Li2 O4 -","2","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0391","0.0364","","","0.0956","0.0968","","","","","","1.011","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020958","5.454","0.003","6.842","0.002","6.97","0.002","61.9","0.11","80.72","0.12","67.02","0.13","211.1","0.3","200","","200","","","","","","","","","4","P -1","-P 1","2","","Lithium iodide dihydrate","","- H4 I Li O2 -","- H4 I Li O2 -","- H8 I2 Li2 O4 -","2","1","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0782","0.0772","","","0.2161","0.2174","","","","","","1.168","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020959","7.1626","0.0011","10.351","0.002","5.6038","0.0008","90","","90","","90","","415.47","0.12","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium chloride trihydrate","","- Cl H6 Li O3 -","- Cl H6 Li O3 -","- Cl4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0141","0.0127","","","0.0326","0.0334","","","","","","1.024","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020960","7.2785","0.0017","11.088","0.003","5.687","0.002","90","","90","","90","","459","0.2","150","","150","","","","","","","","","4","C m c m","-C 2c 2","63","","Lithium bromide trihydrate","","- Br H6 Li O3 -","- Br H6 Li O3 -","- Br4 H24 Li4 O12 -","4","0.25","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0278","0.0275","","","0.0728","0.073","","","","","","1.019","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020961","7.461","0.0018","7.461","0.0018","5.459","0.003","90","","90","","120","","263.17","0.17","250","2","250","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Lithium iodide trihydrate","","- H6 I Li O3 -","- H6 I Li O3 -","- H12 I2 Li2 O6 -","2","0.0833333","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0162","0.015","","","0.0378","0.038","","","","","","1.066","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020962","6.247","0.002","9.232","0.004","11.677","0.005","88.34","0.03","77.53","0.03","70.77","0.03","620.2","0.4","140","","140","","","","","","","","","4","P -1","-P 1","2","","Lithium chloride pentahydrate","","- Cl H10 Li O5 -","- Cl H10 Li O5 -","- Cl4 H40 Li4 O20 -","4","2","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0605","0.0585","","","0.16","0.1626","","","","","","1.013","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020963","6.353","0.002","9.453","0.004","11.954","0.005","89.15","0.03","77.53","0.03","71.69","0.03","664.4","0.5","140","","140","","","","","","","","","4","P -1","-P 1","2","","Lithium bromide pentahydrate","","- Br H10 Li O5 -","- Br H10 Li O5 -","- Br4 H40 Li4 O20 -","4","2","QF3002","Sohr, Julia; Schmidt, Horst; Voigt, Wolfgang","Higher hydrates of lithium chloride, lithium bromide and lithium iodide","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001183","","","0.71073","MoKα","","0.0325","0.0254","","","0.0648","0.0711","","","","","","1.001","","","","has coordinates","205533","2020-10-21","18:00:00",""
"2020964","10.1425","0.0005","16.1771","0.0007","24.5865","0.0011","106.98","0.001","99.453","0.001","96.998","0.001","3743.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BINAP + dithio","Bis(μ-naphthalene-2-thiolato-κ^2^S:S)bis(tricarbonyliron)(Fe—Fe)","","- C26 H14 Fe2 O6 S2 -","- C26 H14 Fe2 O6 S2 -","- C156 H84 Fe12 O36 S12 -","6","3","FN3252","Mebi, Charles; Gerasimchuk, Nikolay; Labrecque, Jordan","Crystal and electronic structure of a hexacarbonyldiiron cluster tethered to naphthalene-2-thiolate ligands","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000712","","","0.71073","MoKα","","0.059","0.0429","","","0.1046","0.114","","","","","","1.072","","","","has coordinates,has disorder,has Fobs","205534","2020-10-21","18:00:00",""
"2020965","18.4485","0.0004","11.6452","0.0003","19.5931","0.0005","90","","90","","90","","4209.31","0.18","130","4","130","4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","9,9-Bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C216 H192 N16 O16 -","8","1","FN3256","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","0.71073","MoKα","","0.0436","0.0374","","","0.0889","0.0934","","","","","","1.077","","","","has coordinates,has Fobs","205535","2020-10-21","18:00:00",""
"2020966","10.281","0.0002","23.5073","0.0005","12.3557","0.0002","90","","95.674","0.002","90","","2971.48","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[[[μ~3~-9,9-bis(2-hydroxyethyl)-2,7-bis(pyridin-4-yl)fluorene-κ^3^N:N':O]bis(methanol-κO)(μ-sulfato-κ^2^O:O')nickel(II)] methanol disolvate]","","- C30 H36 N2 Ni O9 S -","- C30 H36 N2 Ni O9 S -","- C120 H144 N8 Ni4 O36 S4 -","4","1","","Han, Shu-Ying; Niu, Xue; Wang, Jia; Jin, Guo-Xia; Liu, Ai; Ma, Jian-Ping","Characterization and gas adsorption of a novel three-dimensional metal‒organic framework (MOF) generated from a new polydentate fluorene-bridged ligand","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618000815","","","1.54184","CuKα","","0.0453","0.0373","","","0.0947","0.1011","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","205535","2020-10-21","18:00:00",""
"2020967","9.0137","0.0004","10.608","0.0006","11.8132","0.0006","84.941","0.003","85.798","0.002","69.408","0.002","1052.18","0.09","296","","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,4-dihydroxybenzoate methanol monosolvate","","- C20 H23 Cl N4 O5 -","- C20 H23 Cl N4 O5 -","- C40 H46 Cl2 N8 O10 -","2","1","LY3057","Faroque, Muhammad Umer; Noureen, Sajida; Ahmed, Maqsood; Tahir, Muhammad Nawaz","Electrostatic properties of the pyrimethamine‒2,4-dihydroxybenzoic acid cocrystal in methanol studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","1","100","107","10.1107/S2053229617017788","","","0.71073","MoKα","","0.0448","0.0315","","","0.0569","0.0609","","","","","","1.022","","","","has coordinates,has Fobs","205699","2020-10-21","18:00:00",""
"2020968","15.9489","0.0011","7.2739","0.0004","15.9222","0.001","90","","95.813","0.004","90","","1837.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-3-fluorobenzamide","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C88 H72 F4 N4 O8 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.0911","0.0463","","","0.1007","0.1224","","","","","","1.018","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020969","11.6776","0.0006","14.2461","0.0008","12.2957","0.0007","90","","109.336","0.002","90","","1930.13","0.18","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-4-chlorobenzamide","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C88 H72 Cl4 N4 O8 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.1034","0.0472","","","0.1074","0.142","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020970","7.6718","0.0003","9.8833","0.0003","13.5925","0.0005","104.925","0.004","95.476","0.002","103.633","0.003","954.32","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","N-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,6-difluorobenzamide","","- C22 H17 F2 N O2 S -","- C22 H17 F2 N O2 S -","- C44 H34 F4 N2 O4 S2 -","2","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.082","0.0411","","","0.0876","0.1078","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020971","8.5129","0.0009","12.923","0.0014","19.031","0.002","96.811","0.005","102.665","0.006","105.321","0.005","1935.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","N-(3-Benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-methoxybenzamide","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","2","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.71073","MoKα","","0.1271","0.0519","","","0.1167","0.1509","","","","","","0.973","","","","has coordinates,has Fobs","205700","2020-10-21","18:00:00",""
"2020972","9.208","0.0004","14.0485","0.0007","10.3826","0.0006","90","","90","","90","","1343.08","0.12","295","2","295","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-Amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene","","- C15 H15 N O S -","- C15 H15 N O S -","- C60 H60 N4 O4 S4 -","4","1","OV3102","Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher","Four closely related N-(3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzamides: order versus disorder, and similar molecular conformations but different modes of supramolecular aggregation, with a new disordered refinement of 2-amino-3-benzoyl-4,5,6,7-tetrahydrobenzo[b]thiophene","Acta Crystallographica Section C","2018","74","1","45","53","10.1107/S2053229617017326","","","0.7107","MoKα","","0.0442","0.0361","","","0.0814","0.0864","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","205700","2020-10-21","18:00:00",""
"2020973","7.7255","0.0009","9.1381","0.0014","12.4594","0.0017","92.241","0.011","104.034","0.01","97.248","0.011","844.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine (1/2)","","- C13 H18 N10 O S -","- C13 H18 N10 O S -","- C26 H36 N20 O2 S2 -","2","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.044","0.0354","","","0.0897","0.0928","","","","","","1.037","","","","has coordinates,has Fobs","205703","2020-10-21","18:00:00",""
"2020974","10.0743","0.001","14.383","0.001","18.647","0.002","90","","100.427","0.008","90","","2657.3","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","5-Methyl-2-thiouracil‒2,4-diaminopyrimidine‒N,N-dimethylformamide (2/2/1)","","- C21 H31 N13 O3 S2 -","- C21 H31 N13 O3 S2 -","- C84 H124 N52 O12 S8 -","4","1","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0426","0.0366","","","0.0884","0.0908","","","","","","1.022","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020975","11.1237","0.0013","19.5259","0.0014","16.7313","0.0016","90","","100.9","0.008","90","","3568.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Methyl-2-thiouracil‒2,4-diamino-6-phenyl-1,3,5-triazine‒N,N-dimethylformamide (2/2/1)","","- C15.5 H18.5 N7.5 O1.5 S -","- C15.5 H18.5 N7.5 O1.5 S -","- C124 H148 N60 O12 S8 -","8","2","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.111","0.0527","","","0.0866","0.1003","","","","","","0.894","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2020976","22.573","0.003","9.1593","0.0012","13.9211","0.0016","90","","98.701","0.01","90","","2845.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-thiouracil‒6-amino-3H-isocytosine‒N,N-dimethylformamide (2/2/1)","","- C21 H31 N13 O5 S2 -","- C21 H31 N13 O5 S2 -","- C84 H124 N52 O20 S8 -","4","0.5","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0771","0.0503","","","0.1061","0.1158","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020977","23.53","0.003","8.7478","0.0009","14.2006","0.0016","90","","102.037","0.01","90","","2858.7","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5-Methyl-2-thiouracil‒6-amino-3H-isocytosine‒N,N-dimethylacetamide (2/2/1)","","- C22 H33 N13 O5 S2 -","- C22 H33 N13 O5 S2 -","- C88 H132 N52 O20 S8 -","4","0.5","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0855","0.0467","","","0.0796","0.0887","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020978","17.6827","0.0007","17.6827","0.0007","16.4925","0.0009","90","","90","","120","","4466","0.3","173","2","173","2","","","","","","","","5","R -3","-R 3","148","","5-Methyl-2-thiouracil‒melamine (3/2)","","- C21 H30 N18 O3 S3 -","- C21 H30 N18 O3 S3 -","- C126 H180 N108 O18 S18 -","6","","","Hützler, Wilhelm Maximilian; Bolte, Michael","Sulfur as hydrogen-bond acceptor in cocrystals of 2-thio-modified thymine","Acta Crystallographica Section C","2018","74","1","21","30","10.1107/S2053229617017181","","","0.71073","MoKα","","0.0367","0.0359","","","0.0935","0.0943","","","","","","1.124","","","","has coordinates,has disorder,has Fobs","205703","2020-10-21","18:00:00",""
"2020979","12.992","0.005","12.399","0.005","23.385","0.009","90","","92.81","0.013","90","","3763","3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","N^2^,N^3^-Bis[2,6-bis(propan-2-yl)phenyl]butane-2,3-diamine","","- C28 H44 N2 -","- C28 H44 N2 -","- C168 H264 N12 -","6","1.5","YP3148","Dolinar, Brian S.; Samedov, Kerim; Maloney, Andrew G. P.; West, Robert; Khrustalev, Victor N.; Guzei, Ilia A.","A chiral diamine: practical implications of a three-stereoisomer cocrystallization","Acta Crystallographica Section C","2018","74","1","54","61","10.1107/S2053229617017168","","","0.71073","MoKα","","0.0678","0.0463","","","0.1029","0.113","","","","","","1.063","","","","has coordinates,has Fobs","205704","2020-10-21","18:00:00",""
"2020980","18.931","0.0013","12.4391","0.0006","21.78","0.0011","90","","98.012","0.005","90","","5078.8","0.5","171.6","","171.6","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Tris[μ-diphenyl(pyridin-2-yl)phosphane-κ^2^P:N]di-μ~3~-iodido-tricopper(I)(3 Cu—Cu) hexafluoridophosphate","","- C51 H42 Cu3 F6 I2 N3 P4 -","- C51 H42 Cu3 F6 I2 N3 P4 -","- C204 H168 Cu12 F24 I8 N12 P16 -","4","1","OV3100","Zhu, Qiu-Meng; Song, Li; Chai, Wen-Xiang; Shen, Hang-Yan; Wei, Qin-Hua; Qin, Lai-Shun","A novel luminescent ionic trinuclear Cu~3~I~2~ cluster cuprous complex supported by a P^N ligand: synthesis, structure characterization, properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","1","62","68","10.1107/S2053229617017314","","","0.71073","MoKα","","0.0652","0.0391","","","0.0839","0.0939","","","","","","1.024","","","","has coordinates,has Fobs","205705","2020-10-21","18:00:00",""
"2020981","6.9783","0.0005","9.7631","0.0007","11.8912","0.0009","78.365","0.006","74.458","0.006","81.063","0.006","760.07","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-Phenyl-2-phthalimidoethanesulfonamide","","- C16 H14 N2 O4 S -","- C16 H14 N2 O4 S -","- C32 H28 N4 O8 S2 -","2","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0581","0.0389","","","0.0926","0.1036","","","","","","1.019","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020982","7.1547","0.0006","10.4322","0.0013","11.8228","0.0016","100.106","0.011","104.043","0.01","102.278","0.009","812.14","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","N-(4-Nitrophenyl)-2-phthalimidoethanesulfonamide","","- C16 H13 N3 O6 S -","- C16 H13 N3 O6 S -","- C32 H26 N6 O12 S2 -","2","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0708","0.0439","","","0.0932","0.1051","","","","","","1.032","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020983","10.9408","0.0009","7.2555","0.0007","21.1923","0.0018","90","","99.838","0.008","90","","1657.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(4-Methoxyphenyl)-2-phthalimidoethanesulfonamide","","- C17 H16 N2 O5 S -","- C17 H16 N2 O5 S -","- C68 H64 N8 O20 S4 -","4","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.0586","0.0377","","","0.0851","0.0956","","","","","","1.062","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020984","15.356","0.003","7.4014","0.0005","25.061","0.005","90","","141.36","0.04","90","","1778.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-Ethylphenyl)-2-phthalimidoethanesulfonamide monohydrate","","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","1","","Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin","Substituent position effect on the crystal structures of N-phenyl-2-phthalimidoethanesulfonamide derivatives","Acta Crystallographica Section C","2018","74","1","31","36","10.1107/S2053229617017442","","","0.71073","MoKα","","0.1442","0.0533","","","0.0901","0.1193","","","","","","0.99","","","","has coordinates","205706","2020-10-21","18:00:00",""
"2020985","8.7481","0.0003","11.9399","0.0004","16.4168","0.0007","84.921","0.003","88.623","0.003","71.161","0.003","1616.51","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(acetato-κO)bis[1-(1H-benzotriazol-1-ylmethyl)-2-propyl-1H-imidazole-κN^3^]zinc(II) monohydrate","","- C30 H38 N10 O5 Zn -","- C30 H38 N10 O5 Zn -","- C60 H76 N20 O10 Zn2 -","2","1","YF3128","Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing","Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses","Acta Crystallographica Section C","2018","74","1","13","20","10.1107/S205322961701717X","","","1.54184","CuKα","","0.0331","0.0312","","","0.0835","0.0849","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","205707","2020-10-21","18:00:00",""
"2020986","7.087","0.0003","13.7109","0.0007","15.2483","0.0008","84.36","0.004","83.99","0.004","82.531","0.004","1455.62","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Bis(azido-κN^1^)bis[1-(1H-benzotriazol-1-ylmethyl)-2-propyl-1H-imidazole-κN^3^]zinc(II)","","- C26 H30 N16 Zn -","- C26 H30 N16 Zn -","- C52 H60 N32 Zn2 -","2","1","","Liu, Yaru; Liu, Lan; Zhang, Xiao; Liang, Guorui; Gong, Xuebing","Two zinc(II) coordination complexes based on an asymmetric multidentate ligand: syntheses, structures, selective fluorescence sensing of iron(III) ions and thermal analyses","Acta Crystallographica Section C","2018","74","1","13","20","10.1107/S205322961701717X","","","1.54184","CuKα","","0.0403","0.0333","","","0.0877","0.0932","","","","","","1.028","","","","has coordinates,has Fobs","205707","2020-10-21","18:00:00",""
"2020987","11.3338","0.0006","5.765","0.0003","13.9048","0.0008","90","","110.371","0.0011","90","","851.71","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Sulfanilic acid dihydrate","4-Aminobenzene-1-sulfonic acid dihydrate","","- C6 H11 N O5 S -","- C6 H11 N O5 S -","- C24 H44 N4 O20 S4 -","4","1","KU3211","Langenstück, Stefanie; Zhao, Chenchen; Englert, Ulli","The ephemeral dihydrate of sulfanilic acid","Acta Crystallographica Section C","2018","74","1","7","12","10.1107/S2053229617016886","","","0.71073","MoKα","","0.0433","0.0363","","","0.0887","0.0933","","","","","","1.014","","","","has coordinates,has Fobs","205708","2020-10-21","18:00:00",""
"2020988","8.5763","0.0004","9.7305","0.0005","11.4194","0.0005","111.379","0.001","108.656","0.002","93.04","0.002","825.08","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","4,14-Dioxo-3,5,13,15,21,22-hexaazatricyclo[15.3.1.1^7,11^]docosa-1(21),7(22),8,10,17,19-hexaene-21,22-diium naphthalene-1,5-disulfonate dimethyl sulfoxide disolvate","","- C30 H38 N6 O10 S4 -","- C30 H38 N6 O10 S4 -","- C30 H38 N6 O10 S4 -","1","0.5","FN3249","Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S.","Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid","Acta Crystallographica Section C","2018","74","1","75","81","10.1107/S2053229617017600","","","0.71073","MoKα","","0.0439","0.0343","","","0.087","0.0907","","","","","","1.047","","","","has coordinates,has Fobs","205709","2020-10-21","18:00:00",""
"2020989","8.9076","0.0004","25.5878","0.0011","13.6411","0.0006","90","","105.644","0.002","90","","2994","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,14-Dioxo-3,5,13,15,21,22-hexaazatricyclo[15.3.1.1^7,11^]docosa-1(21),7(22),8,10,17,19-hexaene-21,22-diium naphthalene-1,5-disulfonate dimethyl sulfoxide monosolvate","","- C28 H32 N6 O9 S3 -","- C28 H32 N6 O9 S3 -","- C112 H128 N24 O36 S12 -","4","1","FN3249","Som, Bozumeh; Shue, Jessica R.; Smith, Mark D.; Shimizu, Linda S.","Temperature-induced pseudopolymorphism of molecular salts from a pyridyl bis-urea macrocycle and naphthalene-1,5-disulfonic acid","Acta Crystallographica Section C","2018","74","1","75","81","10.1107/S2053229617017600","","","0.71073","MoKα","","0.0596","0.0386","","","0.0822","0.0906","","","","","","1.029","","","","has coordinates,has Fobs","205709","2020-10-21","18:00:00",""
"2020990","8.8317","0.0014","24.261","0.003","6.9706","0.0014","90","","90","","90","","1493.6","0.4","298","2","298","2","","","","","","","","4","P b c m","-P 2c 2b","57","","(E)-1-tert-butyl-5-[(4-chlorobenzylidene)amino]-1H-pyrrole-3-carbonitrile","","- C16 H16 Cl N3 -","- C16 H16 Cl N3 -","- C64 H64 Cl4 N12 -","4","0.5","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.056","0.049","","","0.1325","0.1393","","","","","","1.088","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020991","6.5428","0.0007","7.9586","0.0011","30.415","0.005","90","","92.987","0.013","90","","1581.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-tert-Butyl-5-[(2,4-dichlorobenzylidene)amino]-1H-pyrrole-3-carbonitrile","","- C16 H15 Cl2 N3 -","- C16 H15 Cl2 N3 -","- C64 H60 Cl8 N12 -","4","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0654","0.0558","","","0.1426","0.1521","","","","","","1.041","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020992","8.1494","0.0008","9.0629","0.001","9.4859","0.0009","92.465","0.008","97.113","0.008","97.136","0.009","688.61","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","(E)-1-tert-Butyl-5-[(pyridin-4-ylmethylene)amino]-1H-pyrrole-3-carbonitrile","","- C15 H16 N4 -","- C15 H16 N4 -","- C30 H32 N8 -","2","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0588","0.0526","","","0.1454","0.1513","","","","","","1.052","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020993","8.2422","0.001","9.2361","0.001","20.623","0.002","90","","98.521","0.011","90","","1552.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-tert-Butyl-5-[(4-chlorobenzyl)amino]-1H-pyrrole-3-carbonitrile","","- C16 H18 Cl N3 -","- C16 H18 Cl N3 -","- C64 H72 Cl4 N12 -","4","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0975","0.067","","","0.1724","0.1975","","","","","","1.12","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020994","8.97","0.0012","9.3244","0.0012","10.4645","0.0014","105.057","0.012","103.589","0.012","95.078","0.011","811","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1-tert-Butyl-5-[(2,4-dichlorobenzyl)amino]-1H-pyrrole-3-carbonitrile","","- C16 H17 Cl2 N3 -","- C16 H17 Cl2 N3 -","- C32 H34 Cl4 N6 -","2","1","CU3120","Macías, Mario A.; Castillo, Juan-Carlos; Portilla, Jaime","A series of (E)-5-(arylideneamino)-1-tert-butyl-1H-pyrrole-3-carbonitriles and their reduction products to secondary amines: syntheses and X-ray structural studies","Acta Crystallographica Section C","2018","74","1","82","93","10.1107/S2053229617017260","","","0.71073","MoKα","","0.0663","0.0499","","","0.119","0.1309","","","","","","1.023","","","","has coordinates,has Fobs","205711","2020-10-21","18:00:00",""
"2020995","14.0359","0.0006","13.693","0.0005","7.7026","0.0003","90","","92.754","0.004","90","","1478.68","0.1","100","2","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Isoguanine hydrochloride","6-Amino-2-oxo-1H,7H-purin-3-ium chloride","","- C5 H6 Cl N5 O -","- C5 H6 Cl N5 O -","- C40 H48 Cl8 N40 O8 -","8","2","LY3059","Budniak, Urszula Anna; Dominiak, Paulina Maria","Molecular tapes in the structure of isoguaninium chloride","Acta Crystallographica Section C","2018","74","1","108","112","10.1107/S2053229617017685","","","1.54184","CuKα","","0.0697","0.0615","","","0.1791","0.1924","","","","","","1.058","","","","has coordinates,has Fobs","205712","2020-10-21","18:00:00",""
"2020996","13.8485","0.0007","15.0536","0.0006","16.6819","0.0009","90","","109.395","0.006","90","","3280.3","0.3","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Poly[[bis[μ~2~-2,7-bis(pyridine-4-ylmethyl)benzo[imn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone]bis(perchlorato)cadmium(II)] chloroform tetrasolvate]","","- C56 H36 Cd Cl14 N8 O16 -","- C56 H36 Cd Cl14 N8 O16 -","- C112 H72 Cd2 Cl28 N16 O32 -","2","1","EG3231","Liu, Jian-Jun; Dong, Ying; Chen, Li-Zhen; Wang, Ling; Xia, Shu-Biao; Huang, Chang-Cang","A two-dimensional Cd^II^ coordination polymer based on naphthalenediimide: synthesis, crystal structure and photochromic properties","Acta Crystallographica Section C","2018","74","1","94","99","10.1107/S2053229617017958","","","0.71073","MoKα","","0.0613","0.0449","","","0.094","0.1003","","","","","","1.019","","","","has coordinates,has disorder,has Fobs","205713","2020-10-21","18:00:00",""
"2020998","27.0933","0.0011","11.2988","0.0004","7.8989","0.0003","90","","90","","90","","2418.03","0.16","295","2","295","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","Poly[(1,10-phenanthroline-κ^2^N,N')bis(μ-3-phenylprop-2-enoato-κ^3^O,O':O)calcium(I)]","","- C30 H22 Ca N2 O4 -","- C30 H22 Ca N2 O4 -","- C120 H88 Ca4 N8 O16 -","4","0.5","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.092","0.0505","","","0.1209","0.1457","","","","","","1.041","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2020999","36.4542","0.0007","36.4542","0.0007","10.3535","0.0002","90","","90","","120","","11915.5","0.4","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","Poly[(1,10-phenanthroline-κ^2^N,N')(μ-3-phenylprop-2-enoato-κ^3^O,O':O)(μ-3-phenylprop-2-enoato-κ^4^O:O,O':O')barium(I)]","","- C30 H22 Ba N2 O4 -","- C30 H22 Ba N2 O4 -","- C540 H396 Ba18 N36 O72 -","18","1","FP3050","Bendjellal, Nassima; Trifa, Chahrazed; Bouacida, Sofiane; Boudaren, Chaouki; Boudraa, Mhamed; Merazig, Hocine","Two novel alkaline earth coordination polymers constructed from cinnamic acid and 1,10-phenanthroline: synthesis and structural and thermal properties","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001420","","","0.71073","MoKα","","0.0638","0.0357","","","0.0758","0.0868","","","","","","1.023","","","","has coordinates,has Fobs","205945","2020-10-21","18:00:00",""
"2021000","5.9762","0.001","5.9949","0.001","14.426","0.003","90","","99.36","0.05","90","","509.96","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Strontium hafnium hexafluoride","","- F12 Hf2 Sr2 -","- F12 Hf2 Sr2 -","- F24 Hf4 Sr4 -","2","0.5","OV3104","Laval, Jean-Paul; Mayet, Richard","High-temperature monoclinic α-SrHfF~6~, and isostructural α-SrZrF~6~: associating Hf~2~F~12~ bipolyhedra and SrF~8~ snub disphenoids","Acta Crystallographica Section C","2018","74","2","","","10.1107/S2053229618001110","","","0.7107","MoKα","","0.0199","0.0154","","","","0.0361","","","","","","1.134","","","","has coordinates,has Fobs","205948","2020-10-21","18:00:00",""
"2021002","10.8492","0.0007","14.2931","0.0007","9.8604","0.0005","90","","109.543","0.002","90","","1440.95","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-Poly[4-(pyridin-1-ium-4-yl)piperazin-1-ium [[(oxalato-κ^2^O^1^,O^2^)copper(II)]-μ-oxalato-κ^3^O^1^,O^2^:O^1'^]]","","","- C13 H15 Cu N3 O8 -","- C13 H15 Cu N3 O8 -","- C52 H60 Cu4 N12 O32 -","4","1","KU3215","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and N,N'-ditopic cations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002024","","","0.71073","MoKα","","0.0908","0.0437","","","0.0863","0.0993","","","","","","1.018","","","","has coordinates,has Fobs","206447","2020-10-21","18:00:00",""
"2021003","3.8486","0.0001","10.238","0.0003","10.608","0.0004","109.382","0.002","95.641","0.002","97.93","0.002","385.85","0.02","298","2","298","2","","","","","","","","5","P -1","-P 1","2","4,4'-(Ethane-1,2-diyl)dipyridinium bis(oxalato-κ^2^O^1^,O^2^)copper(II)","","","- C16 H14 Cu N2 O8 -","- C16 H14 Cu N2 O8 -","- C16 H14 Cu N2 O8 -","1","0.5","KU3215","Klongdee, Fatima; Boonmak, Jaursup; Youngme, Sujittra","Effect of pH on the charge-assisted hydrogen-bonded assembly of the anionic [Cu(oxalate)~2~]^2{-^} building unit and N,N'-ditopic cations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002024","","","0.71073","MoKα","","0.0383","0.0329","","","0.0839","0.0866","","","","","","1.042","","","","has coordinates,has Fobs","206447","2020-10-21","18:00:00",""
"2021004","12.3534","0.0019","12.3534","","17.433","0.003","90","","90","","90","","2660.4","0.6","200","2","200","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","Octabismuth undecacalcium diindium","","- Bi8.27 Ca11 In1.73 -","- Bi8.282 Ca11 In1.718 -","- Bi33.128 Ca44 In6.872 -","4","0.125","SK3679","Ovchinnikov, Alexander; Bobev, Svilen","On the effect of Ga and In substitutions in the Ca~11~Bi~10~ and Yb~11~Bi~10~ bismuthides crystallizing in the tetragonal Ho~11~Ge~10~ structure type","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001596","","","0.71073","MoKα","","0.0585","0.0379","","","0.0717","0.0782","","","","","","1.072","","","","has coordinates,has Fobs","206448","2020-10-21","18:00:00",""
"2021005","16.3993","0.0012","12.5755","0.0011","21.2196","0.0017","90","","90","","90","","4376.1","0.6","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-{[1-(1-tert-Butoxycarbonyl)-L-prolyl]amino}terephthalic acid 2.24-hydrate","","- C18 H26.48 N2 O9.24 -","- C18 H26.48 N2 O9.24 -","- C144 H211.84 N16 O73.92 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021006","16.4332","0.0013","12.3817","0.0012","21.3581","0.0017","90","","90","","90","","4345.8","0.6","295","1","295","1","","","","","","","","4","P 2 2 21","P 2c 2","17","","1-{[1-(1-tert-Butoxycarbonyl)-L-prolyl]amino}terephthalic acid 2.08-hydrate","","- C18 H26.16 N2 O9.08 -","- C18 H26.16 N2 O9.08 -","- C144 H209.28 N16 O72.64 -","8","2","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.4151","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021007","7.622","0.0008","18.818","0.0011","17.4277","0.001","90","","90","","90","","2499.7","0.3","295","1","295","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","1-(L-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C104 H112 N16 O40 -","8","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021008","17.4407","0.0013","9.7795","0.0009","7.0567","0.0007","90","","90","","90","","1203.6","0.19","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(L-Prolylamino)terephthalic acid","","- C13 H14 N2 O5 -","- C13 H14 N2 O5 -","- C52 H56 N8 O20 -","4","1","","Veselovsky, Vladimir V.; Lozanova, Antonina V.; Isaeva, Vera I.; Lobova, Anna A.; Fitch, Andrew N.; Chernyshev, Vladimir V.","Optically active derivatives of terephthalic acid: four crystal structures from two powder patterns","Acta Crystallographica Section C Structural Chemistry","2018","74","3","","","10.1107/S2053229618001705","powder diffraction","","0.399962","synchrotron","","","","","","","","","","1.8037","","","","","","","has coordinates,has Fobs","206449","2020-10-21","18:00:00",""
"2021009","7.8601","0.001","8.2489","0.0011","10.7883","0.0014","81.538","0.011","72.352","0.01","61.93","0.009","588.15","0.15","203","2","203","","","","","","","","","3","P -1","-P 1","2","Ethyl 3,5-bis(hydroxymethyl)-4-methoxybenzoate","Ethyl 3,5-bis(hydroxymethyl)-4-methoxybenzoate","","- C12 H16 O5 -","- C12 H16 O5 -","- C24 H32 O10 -","2","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0687","0.0503","","","0.1233","0.1402","","","","","","1.123","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021010","13.1596","0.0007","16.2514","0.0009","4.4735","0.0002","90","","90","","90","","956.71","0.09","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","4-Bromo-2,6-bis(hydroxymethyl)anisole","[5-Bromo-3-(hydroxymethyl)-2-methoxyphenyl]methanol","","- C9 H11 Br O3 -","- C9 H11 Br O3 -","- C36 H44 Br4 O12 -","4","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0786","0.0646","","","0.1744","0.1903","","","","","","1.095","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021011","33.315","0.004","4.3913","0.0003","15.9655","0.0017","90","","110.142","0.008","90","","2192.8","0.4","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Bromo-2,6-bis(bromomethyl)anisole","5-Bromo-1,3-bis(bromomethyl)-2-methoxybenzene","","- C9 H9 Br3 O -","- C9 H9 Br3 O -","- C72 H72 Br24 O8 -","8","1","EG3234","Nestler, Robert; Schwarzer, Anke; Gruber, Tobias","Different supramolecular interactions mediated by Br atoms in the crystal structures of three anisole derivatives","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001997","","","0.71073","MoKα","","0.0448","0.0333","","","0.0799","0.0881","","","","","","1.099","","","","has coordinates,has Fobs","206450","2020-10-21","18:00:00",""
"2021012","4.034","0.0006","4.034","0.0006","4.034","0.0006","90","","90","","90","","65.646","0.017","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.23 In0.93 Pd1.84 -","- Au1.2318 In0.93 Pd1.84 -","- Au1.2318 In0.93 Pd1.84 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.71073","MoKα","","0.0223","0.0218","","","0.0711","0.0713","","","","","","1.091","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021013","4.034","0.0006","4.034","0.0006","4.034","0.0006","90","","90","","90","","65.646","0.017","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.23 In0.93 Pd1.84 -","- Au1.232 In0.9321 Pd1.837 -","- Au1.232 In0.9321 Pd1.837 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.71073","MoKα","","0.0223","0.0218","","","0.0724","0.0726","","","","","","1.092","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021014","4.0408","0.001","4.0408","0.001","4.0408","0.001","90","","90","","90","","65.98","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.49 In0.89 Pd1.62 -","- Au1.4915 In0.888 Pd1.6195 -","- Au1.4915 In0.888 Pd1.6195 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0322","0.0263","","","0.0462","0.0497","","","","","","0.958","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021015","4.0408","0.001","4.0408","0.001","4.0408","0.001","90","","90","","90","","65.98","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gold indium dipalladium","","- Au1.49 In0.89 Pd1.62 -","- Au1.4918 In0.888 Pd1.6202 -","- Au1.4918 In0.888 Pd1.6202 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0318","0.0251","","","0.0453","0.0496","","","","","","0.957","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021016","4.0538","0.001","4.0538","0.001","4.0538","0.001","90","","90","","90","","66.62","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Digold indium palladium","","- Au1.77 In0.86 Pd1.37 -","- Au1.767 In0.8602 Pd1.372 -","- Au1.767 In0.8602 Pd1.372 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0353","0.0234","","","0.0543","0.0608","","","","","","1.038","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021017","4.0538","0.001","4.0538","0.001","4.0538","0.001","90","","90","","90","","66.62","0.03","295","2","295","2","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Digold indium palladium","","- Au1.77 In0.86 Pd1.37 -","- Au1.768 In0.8601 Pd1.371 -","- Au1.768 In0.8601 Pd1.371 -","1","0.0208333","QP3003","Ptashkina, Evgeniya A.; Kabanova, Elizaveta G.; Tursina, Anna I.; Yatsenko, Alexandr V.; Kuznetsov, Victor N.","Synthesis and crystal structure of a new Cu~3~Au-type ternary phase in the Au‒In‒Pd system: distribution of atoms over crystallographic positions","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001973","","","0.56087","AgKα","","0.0353","0.0223","","","0.0527","0.0606","","","","","","1.044","","","","has coordinates,has Fobs","206451","2020-10-21","18:00:00",""
"2021018","13.0034","0.0004","14.0829","0.0004","31.479","0.001","90","","90","","90","","5764.6","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one ethyl acetate 0.33-solvate","","- C64 H77 N3 O14 -","- C64.002 H77.005 N3 O14 -","- C256.008 H308.02 N12 O56 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.071","0.0517","","","","0.1462","","","","","","1.015","","","","has coordinates,has disorder,has Fobs","211332","2020-10-21","18:00:00",""
"2021019","12.5992","0.0002","13.1093","0.0003","26.6586","0.0006","90","","90","","90","","4403.11","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,4aS,7aR,12bS)-3-Cyclopropylmethyl-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one diethyl ether hemisolvate","","- C44 H56 N2 O9 -","- C44 H56 N2 O9 -","- C176 H224 N8 O36 -","4","1","CU3125","Gonçalves, Karolina de Oliveira; Ribeiro, Leandro; de Oliveira, Cecilia Maria Alves; Carvalho, Jesiel Freitas; Martins, Felipe T.","New solvates of the drug naltrexone: protonation, conformation and interplay of synthons","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001791","","","1.54178","CuKα","","0.0931","0.0648","","","","0.1927","","","","","","1.097","","","","has coordinates,has disorder,has Fobs","206452","2020-10-21","18:00:00",""
"2021020","11.7625","0.00011","12.00313","0.00013","24.2755","0.0002","90","","90","","90","","3427.38","0.06","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Griseofulvin","(2S,6'R)-7-Chloro-2',4,6-trimethoxy-6'-methyl-3H,4'H-spiro[1-benzofuran-2,1'-cyclohex-2-ene]-3,4'-dione","","- C17 H17 Cl O6 -","- C17 H17 Cl O6 -","- C136 H136 Cl8 O48 -","8","2","","Mahieu, Aurélien; Willart, Jean-François; Guerain, Mathieu; Derollez, Patrick; Danéde, Florence; Descamps, Marc","Structure determination of phase II of the antifungal drug griseofulvin by powder X-ray diffraction","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618001845","powder diffraction","","1.23922","synchrotron","","0.0985","0.0703","","0.0706","0.0663","","","","1.35","","","","","","","has coordinates,has Fobs","206573","2020-10-21","18:00:00",""
"2021021","19.5314","0.0012","12.7103","0.001","9.8189","0.0005","90","","90","","90","","2437.5","0.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","Cytosinium 6-chloronicotinate","Cytosinium 6-chloropyridine-3-carboxylate","","- C10 H11 Cl N4 O4 -","- C10 H11 Cl N4 O4 -","- C80 H88 Cl8 N32 O32 -","8","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","0.71073","MoKα","","0.1064","0.0614","","","0.1572","0.184","","","","","","1.069","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021022","16.1671","0.0004","4.8786","0.0001","12.0863","0.0003","90","","96.026","0.002","90","","948.01","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-amino-5-bromo-4-hydroxy-6-methylpyrimidinium hydrogensulfate","2-amino-5-bromo-4-oxy-6-methylpyrimidinium hydrogensulfate","","- C5 H8 Br N3 O5 S -","- C5 H8 Br N3 O5 S -","- C20 H32 Br4 N12 O20 S4 -","4","1","OV3108","Swinton Darious, Robert; Jasmine, Nithianantham Jeeva; Karthikeyan, Ammasai; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular architectures in cytosinium 6-chloronicotinate monohydrate and 5-bromo-6-methylisocytosinium hydrogen sulfate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002462","","","1.54184","CuKα","","0.0417","0.0404","","","0.1081","0.1094","","","","","","1.056","","","","has coordinates,has Fobs","206574","2020-10-21","18:00:00",""
"2021023","11.202","0.0019","16.609","0.003","19.85","0.006","90","","90","","90","","3693.2","1.4","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","N,2,6,11-Tetramethyl-N-phenyl-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepin-4-amine","","- C22 H24 N4 -","- C22 H24 N4 -","- C176 H192 N32 -","8","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.1139","0.0564","","","0.0897","0.1094","","","","","","1.087","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021024","9.425","0.002","11.184","0.003","17.321","0.006","90","","101.091","0.011","90","","1791.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-Allyl-6-(1H-benzo[d]imidazol-1-yl)-N-methyl-N-(4-methylphenyl)pyrimidin-4-amine","","- C22 H21 N5 -","- C22 H21 N5 -","- C88 H84 N20 -","4","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.05","0.0423","","","0.1057","0.1111","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","206575","2020-10-21","18:00:00",""
"2021025","11.1086","0.0005","8.7806","0.0003","17.7753","0.0009","90","","103.651","0.002","90","","1684.83","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(1H-Benzo[d]imidazol-1-yl)-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepine 0.374-hydrate","","- C21 H19.748 N5 O0.374 -","- C21 H19.748 N5 O0.374 -","- C84 H78.992 N20 O1.496 -","4","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","0.71073","MoKα","","0.0866","0.0498","","","0.1024","0.1171","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","206575","2020-10-21","18:00:00",""
"2021026","9.7866","0.0013","10.2122","0.0015","10.9551","0.0014","97.816","0.009","112.433","0.008","94.149","0.008","993.4","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","6,7,9,11-Tetramethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6,11-dihydro-5H-benzo[b]pyrimido[5,4-f]azepine","","- C24 H25 N5 -","- C24 H25 N5 -","- C48 H50 N10 -","2","1","SK3682","Acosta Quintero, Lina M.; Burgos, Isidro; Palma, Alirio; Cobo, Justo; Glidewell, Christopher","A concise, efficient and versatile synthesis of amino-substituted benzo[b]pyrimido[5,4-f]azepines: synthesis and spectroscopic characterization, together with the molecular and supramolecular structures of three products and one intermediate","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002176","","","1.54184","CuKα","","0.0747","0.0498","","","0.116","0.1361","","","","","","1.073","","","","has coordinates,has Fobs","206575","2020-10-21","18:00:00",""
"2021027","6.2199","0.0009","7.3301","0.001","11.9153","0.0016","90","","90","","90","","543.25","0.13","100","2","100","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0345","","","0.082","0.0839","","","","","","1.065","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021028","6.2311","0.0008","7.3497","0.001","11.9462","0.0015","90","","90","","90","","547.1","0.12","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0369","0.0334","","","0.0777","0.0801","","","","","","1.038","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021029","6.2389","0.0008","7.3667","0.001","11.9735","0.0016","90","","90","","90","","550.3","0.13","200","2","200","2","","","","","","","","2","P c a 21","P 2c -2ac","29","ZrCl4","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0421","0.0376","","","0.0909","0.0946","","","","","","1.11","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021030","6.253","0.005","7.383","0.006","12.017","0.009","90","","90","","90","","554.8","0.8","250","2","250","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0494","0.0382","","","0.0874","0.0957","","","","","","1.045","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021031","6.262","0.009","7.402","0.011","12.039","0.017","90","","90","","90","","558","1.4","300","2","300","2","","","","","","","","2","P c a 21","P 2c -2ac","29","Zirconium tetrachloride","Zirconium tetrachloride","","- Cl4 Zr -","- Cl4 Zr -","- Cl16 Zr4 -","4","1","YO3045","Borjas Nevarez, Rosendo; Balasekaran, Samundeeswari Mariappan; Kim, Eunja; Weck, Philippe; Poineau, Frederic","Zirconium tetrachloride revisited","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800219X","","","0.71073","MoKα","","0.0763","0.0533","","","0.1219","0.1384","","","","","","1.016","","","","has coordinates,has Fobs","206576","2020-10-21","18:00:00",""
"2021032","13.711","0.0014","19.1598","0.0019","8.9327","0.0008","90","","90","","90","","2346.6","0.4","296","2","296","2","","","","","","","","6","P b a 2","P 2 -2ab","32","","catena-Poly[[diaquacopper(II)-μ-1,6-bis(1H-1,2,4-triazol-1-yl)hexane-κ^2^N^4^:N^4'^] bis(3-amino-4-carboxybenzenesulfonate) dihydrate]","","- C34 H52 Cu N14 O14 S2 -","- C34 H52 Cu N14 O14 S2 -","- C68 H104 Cu2 N28 O28 S4 -","2","0.5","OV3107","Li, Peng-Cheng; Zhang, Kou-Lin","A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002474","","","0.71073","MoKα","","0.0456","0.0344","","","0.0858","0.0906","","","","","","1.032","","","","has coordinates,has Fobs","206577","2020-10-21","18:00:00",""
"2021033","18.787","0.002","12.0409","0.0012","20.699","0.002","90","","99.905","0.004","90","","4612.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(μ-2-amino-5-sulfonatobenzoato-κ^2^O^1^:O^1'^)bis{μ-1,2-bis[(1H-imidazol-1-yl)methyl]benzene-κ^2^N^3^:N^3'^}bis[aquacopper(II)] trihydrate","","- C42 H48 Cu2 N10 O15 S2 -","- C42 H48 Cu2 N10 O15 S2 -","- C168 H192 Cu8 N40 O60 S8 -","4","1","OV3107","Li, Peng-Cheng; Zhang, Kou-Lin","A new copper(II) supramolecular coordination polymer and a dinuclear compound with multifunctional 2-amino-5-sulfobenzoic acid and flexible N-donor ligands: synthesis, structure and characterization","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002474","","","0.71073","MoKα","","0.0759","0.0447","","","0.1082","0.1212","","","","","","1.028","","","","has coordinates,has Fobs","206577","2020-10-21","18:00:00",""
"2021034","19.3126","0.0015","10.2713","0.0006","18.1414","0.0012","90","","112.052","0.008","90","","3335.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Diiodidobis(triphenylphosphane-κP)zinc(II)","","- C36 H30 I2 P2 Zn -","- C36 H30 I2 P2 Zn -","- C144 H120 I8 P8 Zn4 -","4","1","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.0675","0.0402","","","0.0801","0.0883","","","","","","1.053","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021035","11.3104","0.0008","19.3208","0.0011","37.933","0.002","90","","90","","90","","8289.3","0.9","293","2","293","2","","","","","","","","5","F 2 d d","F -2d 2","43","","Diiodidobis[tris(4-methylphenyl)phosphane-κP]zinc(II)","","- C42 H42 I2 P2 Zn -","- C42 H42 I2 P2 Zn -","- C336 H336 I16 P16 Zn8 -","8","0.5","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.0764","0.0453","","","0.0945","0.105","","","","","","0.998","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021036","18.982","0.0009","15.9507","0.0006","24.9714","0.001","90","","90.352","0.004","90","","7560.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(diphenylphosphoryl)methane-κ^2^O,O']zinc(II) tetraiodidozinc(II)","","- C75 H66 I4 O6 P6 Zn2 -","- C75 H66 I4 O6 P6 Zn2 -","- C300 H264 I16 O24 P24 Zn8 -","4","1","QS3069","Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li","Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002607","","","0.71073","MoKα","","0.1054","0.0507","","","0.0814","0.0964","","","","","","0.961","","","","has coordinates,has Fobs","206643","2020-10-21","18:00:00",""
"2021037","9.8015","0.0006","20.9572","0.0015","21.7012","0.0017","90","","90","","90","","4457.7","0.5","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Bis[2,6-bis(1H-benzimidazol-2-yl-κN^3^)pyridine-κN]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C152 H104 N40 Ni4 O16 S4 -","4","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.1296","0.0738","","","0.174","0.2095","","","","","","0.984","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021038","28.596","0.002","28.596","0.002","13.5438","0.0009","90","","90","","90","","11075.2","1.3","294","2","294","2","","","","","","","","6","I -4","I -4","82","","Bis[2,6-bis(1H-benzimidazol-2-yl-κN^3^)pyridine-κN]nickel(II) sulfate","","- C38 H26 N10 Ni O4 S -","- C38 H26 N10 Ni O4 S -","- C304 H208 N80 Ni8 O32 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2018","0.0777","","","0.1648","0.22","","","","","","0.894","","","","has coordinates,has Fobs","206644","2020-10-21","18:00:00",""
"2021039","13.406","0.005","24.365","0.005","28.114","0.005","90","","90","","90","","9183","4","294","2","294","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","Bis[2,6-bis(1H-benzimidazol-2-yl-κN^3^)pyridine-κN]nickel(II) sulfate‒dimethylformamide‒water (1/1/4.25)","","- C41 H41.5 N11 Ni O9.25 S -","- C41 H33 N11 Ni O9.25 S -","- C328 H264 N88 Ni8 O74 S8 -","8","1","SK3681","Harvey, Miguel Angel; Suarez, Sebastián; Zolotarev, Pavel N.; Proserpio, Davide M.; Baggio, Ricardo","Topological study of diverse hydrogen-bonded patterns found in a system of a nickel(II) complex and the sulfate anion","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002413","","","0.71073","MoKα","","0.2171","0.086","","","0.2284","0.334","","","","","","0.845","","","","has coordinates,has disorder,has Fobs","206644","2020-10-21","18:00:00",""
"2021040","24.3852","0.0012","6.0502","0.0004","5.1","0.003","90","","90","","90","","752.4","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","5-Chloroisatoic anhydride","6-Chloro-2,4-dihydro-1H-3,1-benzoxazine-2,4-dione","","- C8 H4 Cl N O3 -","- C8 H4 Cl N O3 -","- C32 H16 Cl4 N4 O12 -","4","1","KU3216","Pogoda, Dorota; Matera-Witkiewicz, Agnieszka; Listowski, Marcin; Janczak, Jan; Videnova-Adrabinska, Veneta","The role of different nonspecific interactions and halogen contacts in the crystal structure organization of 5-chloroisatoic anhydride","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002280","","","0.71073","MoKα","","0.0379","0.032","","","0.0626","0.0651","","","","","","1","","","","has coordinates,has Fobs","206688","2020-10-21","18:00:00",""
"2021041","3.197","0.0005","3.197","0.0005","5.1943","0.001","90","","90","","120","","45.977","0.013","293","2","293","2","","","","","","","","4","P -6 m 2","P -6 2","187","","Dimagnesium lithium aluminium carbide","","- C0.86 Al0.24 Li0.24 Mg1.52 -","- C0.86 Al0.24 Li0.24 Mg1.52 -","- C0.86 Al0.24 Li0.24 Mg1.52 -","1","0.0833333","KU3217","Pavlyuk, Volodymyr; Kulawik, Damian; Ciesielski, Wojciech; Pavlyuk, Nazar; Dmytriv, Grygoriy","New quaternary carbide Mg~1.52~Li~0.24~Al~0.24~C~0.86~ as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002851","","","0.71073","MoKα","","0.0365","0.0327","","","0.0762","0.0769","","","","","","1.37","","","","has coordinates,has Fobs","206689","2020-10-21","18:00:00",""
"2021042","6.9406","0.0002","8.5527","0.0003","12.7193","0.0006","108.581","0.004","90.93","0.003","92.396","0.003","714.7","0.05","288.2","0.3","288.2","0.3","","","","","","","","6","P -1","-P 1","2","","Poly[tetraoxido{μ~2~-1,1'-[1,4-phenylenebis(methylene)]bis(pyridin-1-ium-4-carboxylate)}di-μ~3~-sulfato-diuranium(VI)]","","- C20 H16 N2 O16 S2 U2 -","- C20 H16 N2 O16 S2 U2 -","- C20 H16 N2 O16 S2 U2 -","1","0.5","FP3045","Cui, Wen; Wang, Ruyu; Shu, Xi; Fan, Yu; Liu, Yang; Jin, Yongdong; Xia, Chuanqin; Huang, Chao","Hydrothermal synthesis, crystal structure and properties of a two-dimensional uranyl coordination polymer based on a flexible zwitterionic ligand","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002279","","","1.54184","CuKα","","0.0476","0.0456","","","0.1093","0.1113","","","","","","1.063","","","","has coordinates,has Fobs","206690","2020-10-21","18:00:00",""
"2021043","9.3676","0.0007","17.6232","0.0014","11.3172","0.0009","90","","94.351","0.002","90","","1862.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~4~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraterbium(III)] pentahydrate]","","- C56 H78 N4 O37 Tb4 -","- C56 H60 N4 O32 Tb4 -","- C56 H60 N4 O32 Tb4 -","1","0.25","LF3071","Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan","Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800205X","","","0.71073","MoKα","","0.0807","0.0597","","","0.146","0.1554","","","","","","1.011","","","","has coordinates,has Fobs","206691","2020-10-21","18:00:00",""
"2021044","9.4453","0.0005","17.7439","0.0014","11.3019","0.0008","90","","94.278","0.001","90","","1888.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[tetraaquatetra-μ~2~-acetato-bis(μ~5~-biphenyl-3,3',5,5'-tetracarboxylato)tetrakis(dimethylacetamide)tetraeuropium(III)] tetraahydrate]","","- C56 H76 Eu4 N4 O36 -","- C56 H60 Eu4 N4 O32 -","- C56 H60 Eu4 N4 O32 -","1","0.25","LF3071","Hao, Hongguo; Wang, Yuchen; Yuan, Suxian; Li, Dacheng; Sun, Junshan","Two novel lanthanide(III) organic frameworks based on a biphenyltetracarboxylate ligand: synthesis, structure and magnetic and luminescence properties","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800205X","","","0.71073","MoKα","","0.0933","0.0715","","","0.1801","0.1955","","","","","","0.959","","","","has coordinates,has Fobs","206691","2020-10-21","18:00:00",""
"2021045","7.559","0.002","7.559","0.002","44.103","0.012","90","","90","","90","","2520","1.2","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","Entecavir","2-Amino-9-[(1S,3R,4S)-4-hydroxy-3-hydroxymethyl-2-methylenecyclopentyl]-1,9-dihydro-6H-purin-6-one","","- C12 H15 N5 O3 -","- C12 H15 N5 O3 -","- C96 H120 N40 O24 -","8","1","SK3678","Wang, Xiaojuan; Xu, Hai-Jiang; Jia, Xue-Dong; Yang, Yan-Tao; Zhang, Xiao-Jian","Crystal structure and Hirshfeld surface analysis of the anhydrous form of the nucleoside analogue entecavir","Acta Crystallographica Section C","2018","74","3","","","10.1107/S2053229618002528","","","0.71073","MoKα","","0.0734","0.0528","","","0.1299","0.1402","","","","","","1.085","","","","has coordinates,has Fobs","206692","2020-10-21","18:00:00",""
"2021046","11.4343","0.001","7.7435","0.0007","14.5125","0.0012","90","","108.109","0.002","90","","1221.31","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N'-(Pyrrolidine-1-carbonothioyl)picolinohydrazonamide","","- C11 H15 N5 S -","- C11 H15 N5 S -","- C44 H60 N20 S4 -","4","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54178","CuKα","","0.308","0.0305","","","0.082","0.0823","","","","","","1.035","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021047","7.2793","0.0009","19.962","0.002","7.4299","0.0009","90","","105.205","0.003","90","","1041.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Methyl 2-[amino(pyridin-3-yl)methylidene]hydrazinecarbodithioate","","- C8 H10 N4 S2 -","- C8 H10 N4 S2 -","- C32 H40 N16 S8 -","4","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54178","CuKα","","0.0305","0.0305","","","0.0871","0.0871","","","","","","1.118","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021048","7.323","0.0002","8.5983","0.0002","10.0343","0.0002","79.167","0.002","71.019","0.002","84.08","0.002","586.21","0.03","100.01","0.1","100","10","","","","","","","","4","P -1","-P 1","2","","(Z)-Methyl 2-[amino(pyridin-2-yl)methylidene]-1-methylhydrazinecarbodithioate","","- C9 H12 N4 S2 -","- C9 H12 N4 S2 -","- C18 H24 N8 S4 -","2","1","FN3253","Szczesio, Małgorzata; Gołka, Jolanta; Korona-Głowniak, Izabela; Orlewska, Czesława; Gobis, Katarzyna; Olczak, Andrzej","Planarity of heteroaryldithiocarbazic acid derivatives showing tuberculostatic activity: structure‒activity relationships","Acta Crystallographica Section C","2018","74","3","","","10.1107/S205322961800284X","","","1.54184","CuKα","","0.0353","0.035","","","0.0983","0.0985","","","","","","1.038","","","","has coordinates,has Fobs","206693","2020-10-21","18:00:00",""
"2021049","6.9312","0.0002","14.6542","0.0005","7.1239","0.0003","90","","114.011","0.001","90","","660.97","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","[1-(Pyrazin-2-yl)ethylidene]hydrazine","","- C6 H8 N4 -","- C6 H8 N4 -","- C24 H32 N16 -","4","1","YO3048","Kassim, Muhammad Arif; Yassin, Ubaidullah H. M.; Tan, Ai Ling; Usman, Anwar; Hamid, Malai Haniti S. A.","[1-(Pyrazin-2-yl)ethylidene]hydrazine: a new multitopic ligand for the design of hybrid molecular frameworks","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003273","","","1.54178","CuKα","","0.0383","0.038","","","0.1023","0.1024","","","","","","1.073","","","","has coordinates,has Fobs","206836","2020-10-21","18:00:00",""
"2021050","10.7964","0.0005","10.9649","0.0006","14.3692","0.0007","96.412","0.002","110.682","0.002","92.9","0.002","1574.03","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","catena-Poly[μ~2~-aqua-triaqua{μ~4~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}{μ~3~-5-[4-carboxyphenoxy)methyl]benzene-1,3-dicarboxylato}dicobalt(II)]","","- C32 H28 Co2 O18 -","- C32 H28 Co2 O18 -","- C64 H56 Co4 O36 -","2","1","EG3235","An, Yan-Yan; Lu, Li-Ping; Zhu, Miao-Li","A three-dimensional twofold interpenetrated cobalt(II) MOF containing a flexible carboxylate-based ligand: synthesis, structure and magnetic properties","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800325X","","","0.71073","MoKα","","0.0282","0.0263","","","0.0661","0.0678","","","","","","1.074","","","","has coordinates,has Fobs","206837","2020-10-21","18:00:00",""
"2021051","9.6552","0.0003","10.7203","0.0002","7.448","0.0002","90","","108.605","0.003","90","","730.63","0.04","102","2","102","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pyridine‒urea (1/1)","","- C6 H9 N3 O -","- C6 H9 N3 O -","- C24 H36 N12 O4 -","4","1","OV3109","Strey, Mark; Jones, Peter G.","Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)","Acta Crystallographica Section C Structural Chemistry","2018","74","4","","","10.1107/S2053229618002632","","","1.54184","CuKα","","0.0358","0.0339","","","0.0865","0.0882","","","","","","1.065","","","","has coordinates,has Fobs","206838","2020-10-21","18:00:00",""
"2021052","22.115","0.001","8.4863","0.0004","34.1306","0.0017","90","","95.778","0.004","90","","6372.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pyridine‒thiourea (1/1)","","- C6 H9 N3 S -","- C6 H9 N3 S -","- C192 H288 N96 S32 -","32","8","OV3109","Strey, Mark; Jones, Peter G.","Pyridine 1:1 adducts of urea (Z′ = 1) and thiourea (Z′ = 8)","Acta Crystallographica Section C Structural Chemistry","2018","74","4","","","10.1107/S2053229618002632","","","0.71073","MoKα","","0.0778","0.0539","","","0.101","0.1103","","","","","","1.085","","","","has coordinates,has Fobs","206838","2020-10-21","18:00:00",""
"2021053","9.67404","0.00018","10.9707","0.0002","13.5552","0.0003","90","","94.738","0.0007","90","","1433.71","0.05","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2,5-Bis(dibenzylamino)-3,6-dichloro-p-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C68 H60 Cl4 N4 O4 -","2","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-p-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0504","0.042","","","0.1088","0.1245","","","","","","1.099","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021054","13.2054","0.0002","12.4456","0.0002","16.8489","0.0003","90","","90","","90","","2769.1","0.08","296","","296","","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,5-Bis(dibenzylamino)-3,6-dichloro-p-hydroquinone","2,5-Bis(dibenzylamino)-3,6-dichlorobenzene-1,4-diol","","- C34 H30 Cl2 N2 O2 -","- C34 H30 Cl2 N2 O2 -","- C136 H120 Cl8 N8 O8 -","4","0.5","KY3138","Shin, In-Sub; Shimada, Yuta; Horiguchi-Babamoto, Emi; Matsumoto, Shinya","Two polymorphs of 2,5-dichloro-3,6-bis(dibenzylamino)-p-hydroquinone with flexible dibenzylamino groups","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003595","","","1.54187","CuKα","","0.0461","0.0394","","","0.1097","0.1151","","","","","","1.075","","","","has coordinates,has Fobs","206859","2020-10-21","18:00:00",""
"2021055","12.7576","0.0001","12.7576","0.0001","12.7576","0.0001","90","","90","","90","","2076.38","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Dicalcium sodium dicadmium trivanadate","","- Ca2 Cd2 Na O12 V3 -","- Ca1.98 Cd2.063 Na1.02 O12 V3 -","- Ca15.84 Cd16.504 Na8.16 O96 V24 -","8","0.0833333","UK3150","Tokuda, Makoto; Yoshiasa, Akira; Mashimo, Tsutomu; Iishi, Kazuake; Nakatsuka, Akihiko","The vanadate garnet Ca~2~NaCd~2~V~3~O~12~: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003741","","","0.71073","MoKα","","0.0175","0.0163","","","0.0539","0.0546","","","","","","1.166","","","","has coordinates,has Fobs","206978","2020-10-21","18:00:00",""
"2021056","14.2967","0.0014","11.5113","0.0009","11.0913","0.0009","90","","105.465","0.01","90","","1759.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-(2,4,8,10-Tetraoxa-3,9-diboraspiro[5.5]undecane-3,9-diyl)dibenzonitrile","","- C19 H16 B2 N2 O4 -","- C19 H16 B2 N2 O4 -","- C76 H64 B8 N8 O16 -","4","1","JX3008","Cárdenas-Valenzuela, A. Jaquelin; Baldenebro-López, Jesús; Guerrero-Álvarez, Jorge A.; Höpfl, Herbert; Glossman-Mitnik, Daniel; Campos-Gaxiola, José J.; Cruz-Enríquez, Adriana","Supramolecular arrangement and photophysical properties of a dinuclear cyanophenylboronic acid ester","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003583","","","0.71073","MoKα","","0.08","0.0674","","","0.1382","0.1437","","","","","","1.174","","","","has coordinates,has Fobs","206979","2020-10-21","18:00:00",""
"2021057","11.5095","0.0004","12.0788","0.0005","9.5184","0.0004","90","","91.063","0.003","90","","1323.03","0.09","123","2","123","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Diaqua{4-[(pyrimidin-2-ylazanidyl-κN^1^)sulfonyl-κO]aniline}lithium(I)","","- C10 H13 Li N4 O4 S -","- C10 H13 Li N4 O4 S -","- C40 H52 Li4 N16 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0274","0.0262","","","0.0643","0.0655","","","","","","1.036","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021058","5.901","0.0011","10.534","0.004","18.389","0.003","90","","94.216","0.015","90","","1140","0.5","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}sodium(I)]","","- C10 H9 N4 Na O2 S -","- C10 H9 N4 Na O2 S -","- C40 H36 N16 Na4 O8 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0473","0.0376","","","0.0823","0.0883","","","","","","1.06","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021059","8.8503","0.0007","9.6385","0.0004","15.9734","0.0007","92.35","0.004","95.186","0.004","94.209","0.004","1351.79","0.14","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","Poly[diaqua{μ~3~-4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline}potassium(I)]","","- C10 H13 K N4 O4 S -","- C10 H13 K N4 O4 S -","- C40 H52 K4 N16 O16 S4 -","4","2","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","1.5418","CuKα","","0.0858","0.0597","","","0.1421","0.1573","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","206980","2020-10-21","18:00:00",""
"2021060","12.7688","0.0001","16.904","0.0001","15.7411","0.0001","90","","107.609","0.001","90","","3238.42","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-[(Pyrimidin-2-yl)sulfamoyl]anilinium tetraaqua[7-oxo-8-(phenylhydrazinylidene)naphthalene-1,3-disulfonato]sodium(I) sesquihydrate","","- C26 H32 N6 Na O14.5 S3 -","- C26 H32 N6 Na O14.5 S3 -","- C104 H128 N24 Na4 O58 S12 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","1.54184","CuKα","","0.029","0.028","","","0.0738","0.0745","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","206980","2020-10-21","18:00:00",""
"2021061","8.5796","0.0002","19.0371","0.0005","11.2512","0.0004","90","","121.116","0.003","90","","1573.27","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Aminopyridinium 4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0618","0.0445","","","0.1031","0.1139","","","","","","1.04","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021062","12.7755","0.0004","9.8979","0.0004","11.5366","0.0004","90","","93.508","0.003","90","","1456.08","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethanolaminium 4-[(pyrimidin-2-ylazanidyl)sulfonyl]aniline monohydrate","","- C12 H19 N5 O4 S -","- C12 H19 N5 O4 S -","- C48 H76 N20 O16 S4 -","4","1","UK3153","Campbell, Gemma; Fisher, Rebecca; Kennedy, Alan R.; King, Nathan L. C.; Spiteri, Rebecca","Salt forms of sulfadiazine with alkali metal and organic cations","Acta Crystallographica Section C","2018","74","4","","","10.1107/S205322961800414X","","","0.71073","MoKα","","0.0484","0.0366","","","0.0875","0.0953","","","","","","1.058","","","","has coordinates,has Fobs","206980","2020-10-21","18:00:00",""
"2021063","15.0087","0.0016","13.8489","0.0013","19.52","0.002","90","","90","","90","","4057.3","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","4-Hydroxybenzophenone","","- C13 H10 O2 -","- C13 H10 O2 -","- C208 H160 O32 -","16","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.1027","0.0465","","","0.1038","0.1307","","","","","","1.005","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021064","7.7442","0.0003","11.773","0.0004","26.2562","0.0011","90","","90","","90","","2393.84","0.16","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(Dimethylamino)benzophenone","","- C15 H15 N O -","- C15 H15 N O -","- C120 H120 N8 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0436","0.0349","","","0.0782","0.0827","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021065","9.4796","0.0014","9.4796","0.0014","11.164","0.003","90","","90","","120","","868.8","0.3","173","2","173","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C45 H42 O3 -","3","0.5","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.71073","MoKα","","0.0533","0.0428","","","0.1045","0.1126","","","","","","1.019","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021066","12.1952","0.001","7.8601","0.0007","12.0734","0.0012","90","","90","","90","","1157.3","0.18","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C60 H56 O4 -","4","1","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0501","0.0442","","","0.1246","0.1296","","","","","","1.08","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021067","25.369","0.003","6.031","0.0007","15.256","0.002","90","","97.788","0.004","90","","2312.6","0.5","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4,4'-Dimethylbenzophenone","","- C15 H14 O -","- C15 H14 O -","- C120 H112 O8 -","8","2","YP3152","Soqaka, Antonia A.; Esterhuysen, Catharine; Lemmerer, Andreas","Prevalent polymorphism in benzophenones","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003522","","","0.56086","AgKα","","0.0707","0.0534","","","0.1498","0.1616","","","","","","1.04","","","","has coordinates,has Fobs","206981","2020-10-21","18:00:00",""
"2021068","7.003","0.0003","28.2985","0.0015","11.507","0.0006","90","","106.08","0.005","90","","2191.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Trimethoprimium 2,5-dichlorothiophene-3-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 2,5-dichlorothiophene-3-carboxylate","","- C19 H20 Cl2 N4 O5 S -","- C19 H20 Cl2 N4 O5 S -","- C76 H80 Cl8 N16 O20 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0716","0.0501","","","0.1179","0.133","","","","","","1.036","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021069","16.944","0.0008","6.8991","0.0003","19.7206","0.0014","90","","109.773","0.007","90","","2169.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trimethoprimium 3-bromothiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 3-bromothiophene-2-carboxylate monohydrate","","- C19 H23 Br N4 O6 S -","- C19 H23 Br N4 O6 S -","- C76 H92 Br4 N16 O24 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0623","0.0419","","","0.0939","0.1042","","","","","","1.029","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021070","16.973","0.0005","6.8689","0.0001","19.6051","0.0005","90","","109.321","0.003","90","","2156.95","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Trimethoprimium 3-chlorothiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 3-chlorothiophene-2-carboxylate monohydrate","","- C19 H23 Cl N4 O6 S -","- C19 H23 Cl N4 O6 S -","- C76 H92 Cl4 N16 O24 S4 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0565","0.0488","","","0.1368","0.1481","","","","","","1.046","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021071","6.9417","0.0003","9.8281","0.0006","16.2754","0.001","90.813","0.005","90.376","0.004","99.084","0.004","1096.29","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Trimethoprimium 5-methylthiophene-2-carboxylate monohydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium 5-methylthiophene-2-carboxylate monohydrate","","- C20 H26 N4 O6 S -","- C20 H26 N4 O6 S -","- C40 H52 N8 O12 S2 -","2","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0491","0.0408","","","0.1098","0.1181","","","","","","1.028","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021072","11.168","0.0005","16.1913","0.0005","16.2434","0.0005","106.203","0.003","101.386","0.003","90.029","0.003","2760.2","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Trimethoprimium anthracene-9-carboxylate sesquihydrate","2,4-Diamino-5-(3,4,5-trimethoxybenzyl)pyrimidin-1-ium anthracene-9-carboxylate sesquihydrate","","- C29 H31 N4 O6.5 -","- C29 H31 N4 O6.5 -","- C116 H124 N16 O26 -","4","2","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.1053","0.0617","","","0.1574","0.1888","","","","","","1.019","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021073","9.3415","0.0005","10.2751","0.0006","11.373","0.0008","63.919","0.007","85.243","0.005","83.689","0.005","973.8","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pyrimethaminium 2,5-dichlorothiophene-3-carboxylate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 2,5-dichlorothiophene-3-carboxylate","","- C17 H15 Cl3 N4 O2 S -","- C17 H15 Cl3 N4 O2 S -","- C34 H30 Cl6 N8 O4 S2 -","2","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0756","0.0542","","","0.1423","0.1637","","","","","","1.019","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021074","17.0836","0.0006","15.8893","0.0003","16.4764","0.0005","90","","116.538","0.004","90","","4001.2","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Pyrimethaminium 5-bromothiophene-2-carboxylate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium 5-bromothiophene-2-carboxylate","","- C17 H16 Br Cl N4 O2 S -","- C17 H16 Br Cl N4 O2 S -","- C136 H128 Br8 Cl8 N32 O16 S8 -","8","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","1.54184","CuKα","","0.0613","0.0529","","","0.15","0.1603","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","207090","2020-10-21","18:00:00",""
"2021075","9.5195","0.0005","15.7842","0.0011","18.8336","0.0008","90","","92.293","0.004","90","","2827.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Pyrimethaminium anthracene-9-carboxylate ethanol monosolvate monohydrate","2,4-Diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium anthracene-9-carboxylate methanol monosolvate monohydrate","","- C29 H31 Cl N4 O4 -","- C29 H31 Cl N4 O4 -","- C116 H124 Cl4 N16 O16 -","4","1","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.1221","0.0581","","","0.1381","0.1726","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","207090","2020-10-21","18:00:00",""
"2021076","10.7421","0.0003","11.7053","0.0004","24.5947","0.0008","85.45","0.003","87.699","0.003","63.459","0.003","2757.86","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(pyrimethaminium) naphthalene-1,5-disulfonate","Bis[2,4-diamino-5-(4-chlorophenyl)-6-ethylpyrimidin-1-ium] naphthalene-1,5-disulfonate","","- C34 H34 Cl2 N8 O6 S2 -","- C34 H34 Cl2 N8 O6 S2 -","- C102 H102 Cl6 N24 O18 S6 -","3","1.5","CU3126","Swinton Darious, Robert; Thomas Muthiah, Packianathan; Perdih, Franc","Supramolecular hydrogen-bonding patterns in salts of the antifolate drugs trimethoprim and pyrimethamine","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618004072","","","0.71073","MoKα","","0.0704","0.0469","","","0.1103","0.1261","","","","","","1.031","","","","has coordinates,has Fobs","207090","2020-10-21","18:00:00",""
"2021077","12.9627","0.0003","9.6666","0.0002","16.6887","0.0004","90","","105.217","0.0011","90","","2017.86","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Heptacyclo[8.6.6.6^2,9^.0^3,8^.0^11,16^.0^17,22^.0^23,28^]octacosa-3,5,7,11,13,15,17(22),18,20,23(28),24,26-dodecaene-1,9-carbaldehyde","","- C30 H20 O2 -","- C30 H20 O2 -","- C120 H80 O8 -","4","1","YP3151","Zarei, Seyed Amir; Akhtari, Keivan; Piltan, Mohammad; Kamel, Shaaban M.; Mague, Joel T.","The [4+4] thermocyclization of 9-anthraldehyde: synthesis, crystal structure, experimental and theoretical UV spectra, natural bonding orbital analysis and prediction of third-order nonlinear optical properties","Acta Crystallographica Section C","2018","74","4","","","10.1107/S2053229618003534","","","1.54178","CuKα","","0.0825","0.0712","","","0.1852","0.1969","","","","","","1.057","","","","has coordinates,has Fobs","207091","2020-10-21","18:00:00",""
"2021079","10.6773","0.0015","13.0608","0.0017","16.356","0.002","71.118","0.004","87.07","0.004","80.73","0.004","2130","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","catena-Poly[[[(5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κO)aquacobalt(II)]-bis[μ-1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^N:N']] 4.75-hydrate]","","- C36 H41.5 Br3 Co N9 O9.75 -","- C36 H41.5 Br3 Co N9 O9.75 -","- C72 H83 Br6 Co2 N18 O19.5 -","2","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.0593","0.0393","","","0.104","0.1133","","","","","","1.042","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021080","10.1342","0.0014","17.938","0.002","28.071","0.004","90","","90","","90","","5103","1.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Poly[(μ-5-amino-2,4,6-tribromobenzene-1,3-dicarboxylato-κ^2^O^1^:O^3^)[μ-1,2-bis(imidazol-1-ylmethyl)benzene-κ^2^N:N']cobalt(II)]","","- C22 H16 Br3 Co N5 O4 -","- C22 H16 Br3 Co N5 O4 -","- C176 H128 Br24 Co8 N40 O32 -","8","1","YF3136","Su, Chang-Kai; Zhang, Kou-Lin","Two new Co^II^ coordination polymers with multifunctional 5-amino-2,4,6-tribromoisophthalic acid and flexible isomeric bis(imidazole) ligands: preparation, crystal structure and characterization","Acta Crystallographica Section C","2018","74","4","504","512","10.1107/S2053229618004382","","","0.71073","MoKα","","0.077","0.0346","","","0.0574","0.066","","","","","","0.999","","","","has coordinates,has Fobs","207175","2020-10-21","18:00:00",""
"2021081","10.001","0.008","20.82","0.02","15.124","0.007","90","","96.12","0.05","90","","3131","4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(3,4-Dimethylphenyl)-4-phenyl-5-trifluoromethyl-1H-1,2,3-triazole","","- C17 H14 F3 N3 -","- C17 H14 F3 N3 -","- C136 H112 F24 N24 -","8","2","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1218","0.0526","","","0.0956","0.1247","","","","","","1.01","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021082","9.5097","0.0013","17.921","0.002","20.011","0.003","90","","90","","90","","3410.3","0.8","296","2","296.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(3,4-Dimethylphenyl)-4-(3-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C144 H128 F24 N24 O8 -","8","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0644","0.0372","","","0.0964","0.1135","","","","","","1.016","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021083","15.1368","0.0016","7.7224","0.0009","15.4446","0.0018","90","","112.454","0.002","90","","1668.5","0.3","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(3,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C72 H64 F12 N12 O4 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0828","0.0379","","","0.0954","0.1136","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021084","8.829","0.002","9.513","0.002","11.598","0.003","106.105","0.004","95.554","0.004","110.049","0.004","859.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(2,4-Dimethylphenyl)-4-(4-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole","","- C18 H16 F3 N3 O -","- C18 H16 F3 N3 O -","- C36 H32 F6 N6 O2 -","2","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1075","0.0531","","","0.1263","0.1525","","","","","","0.984","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021085","11.9633","0.0008","7.8453","0.0005","20.0446","0.0014","90","","95.191","0.001","90","","1873.6","0.2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-[2,4-Bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole","","- C18 H10 F9 N3 O -","- C18 H10 F9 N3 O -","- C72 H40 F36 N12 O4 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0763","0.0365","","","0.0893","0.1071","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021086","30.656","0.002","8.3363","0.0006","7.6723","0.0006","90","","94.627","0.001","90","","1954.3","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3,4-Dimethoxyphenyl)-4-(3,4-dimethoxyphenyl)-5-trifluoromethyl-1H-1,2,3-triazole","","- C19 H18 F3 N3 O4 -","- C19 H18 F3 N3 O4 -","- C76 H72 F12 N12 O16 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.0996","0.0424","","","0.1086","0.1328","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","207176","2020-10-21","18:00:00",""
"2021087","12.267","0.002","8.4334","0.0014","15.686","0.003","90","","93.904","0.003","90","","1619","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-[4-(3,4-Dimethoxyphenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-1-yl]phenol","","- C17 H14 F3 N3 O3 -","- C17 H14 F3 N3 O3 -","- C68 H56 F12 N12 O12 -","4","1","YP3155","Farrán, M. Ángeles; Bonet, M. Ángels; Claramunt, Rosa M.; Torralba, M. Carmen; Alkorta, Ibon; Elguero, José","The structures of 1,4-diaryl-5-trifluoromethyl-1H-1,2,3-triazoles related to J147, a drug for treating Alzheimer's disease","Acta Crystallographica Section C","2018","74","4","513","522","10.1107/S2053229618004394","","","0.71073","MoKα","","0.1731","0.0565","","","0.134","0.1894","","","","","","0.972","","","","has coordinates,has Fobs","207176","2020-10-21","18:00:00",""
"2021088","8.3422","0.0004","16.45","0.0008","11.8773","0.0005","90","","93.108","0.002","90","","1627.51","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~3~-2,2'-(1,2-phenylene)bis(4-carboxy-1H-imidazole-5-carboxylato)-κ^6^O^4^,N^3^,N^3'^,O^4'^:O^5^:O^5'^:]manganese(II)]","","- C16 H8 Mn N4 O8 -","- C16 H8 Mn N4 O8 -","- C64 H32 Mn4 N16 O32 -","4","1","","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Meng, Xiang-Ru; Yang, Huai-Xia","A new two-dimensional managnese(II) coordination polymer constructed by 2,2'-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","5","599","603","10.1107/S2053229618005508","","","0.71073","MoKα","","0.0396","0.0314","","","0.0801","0.0843","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","207527","2020-10-21","18:00:00",""
"2021089","11.8203","0.0001","9.1276","0.0001","21.1575","0.0001","90","","100.468","0.001","90","","2244.71","0.03","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(2,2'-Biquinoline-κ^2^N,N')(carbamoylcyanonitrosomethanide-\ κ^2^N,O)chloridocopper(II) acetonitrile monosolvate","","- C23 H17 Cl N6 O2 -","- C23 H17 Cl Cu N6 O2 -","- C92 H68 Cl4 Cu4 N24 O8 -","4","1","SK3686","Potočňák, Ivan; Bukrynov, Oleksandr; Kliuikov, Andrii; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal","A Cu^II^ complex with an carbamoylcyanonitrosomethanide ligand formed in situ by the nucleophilic addition of water to dicyanonitrosomethanide: structure, spectral and magnetic properties","Acta Crystallographica Section C","2018","74","5","584","589","10.1107/S2053229618005697","","","1.54184","CuKα","","0.0259","0.0237","","","0.0641","0.0656","","","","","","1.051","","","","has coordinates,has Fobs","207528","2020-10-21","18:00:00",""
"2021090","19.0566","0.0008","15.5255","0.001","24.0975","0.0014","90","","90","","90","","7129.6","0.7","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","catena-Poly[[triphenyllead(IV)]-μ-chlorido-[triphenyllead(IV)]-μ-dimethylarsinato-κ^2^O:O']","","- C38 H36 As Cl O2 Pb2 -","- C38 H36 As Cl O2 Pb2 -","- C304 H288 As8 Cl8 O16 Pb16 -","8","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0635","0.0398","","","0.0741","0.079","","","","","","1.048","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021091","7.3822","0.0003","19.95","0.0007","10.2878","0.0004","90","","99.763","0.003","90","","1493.19","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Poly[chlorido(μ~3~-dimethylarsinato-κ^3^O:O,O':O')diphenyllead(IV)]","","- C14 H16 As Cl O2 Pb -","- C14 H16 As Cl O2 Pb -","- C56 H64 As4 Cl4 O8 Pb4 -","4","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0478","0.032","","","0.0646","0.0665","","","","","","0.959","","","","has coordinates","207529","2020-10-21","18:00:00",""
"2021092","13.8277","0.0008","12.6242","0.0006","14.4713","0.0008","90","","97.717","0.005","90","","2503.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena-Poly[[triphenyllead(IV)]-μ-diphenylphosphinato-κ^2^O:O']","","- C30 H25 O2 P Pb -","- C30 H25 O2 P Pb -","- C120 H100 O8 P4 Pb4 -","4","1","UK3151","Shihada, Abdel-Fattah; Weller, Frank; Massa, Werner","Between MOFs and molecules: organolead(IV) compounds with chain structures","Acta Crystallographica Section C Structural Chemistry","2018","74","5","","","10.1107/S2053229618004850","","","0.71073","MoKα","","0.0773","0.045","","","0.0954","0.1005","","","","","","0.91","","","","has coordinates,has disorder","207529","2020-10-21","18:00:00",""
"2021093","6.4641","0.0002","11.6518","0.0004","25.4249","0.0009","90","","90","","90","","1914.96","0.11","170","2","170","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(4aR,4 bR,7R,10aS)-4 b,7-Dihydroxy-7-isopropyl-1,1-dimethyl-9-oxododecahydrobenzo[a]azulene-4a(2H)-carboxylic acid","","- C20 H32 O5 -","- C20 H32 O5 -","- C80 H128 O20 -","4","1","LG3224","Zhao, Chen-Liang; Sarwar, Md. Shahid; Ye, Jiang-Hai; Ku, Chuen Fai; Li, Wan-Fei; Luo, Guo-Yong; Zhang, Jing-Jie; Xu, Jun; Huang, Zhao-Feng; Tsang, Siu Wai; Pan, Lu-Tai; Zhang, Hong-Jie","Isolation, evaluation of bioactivity and structure determination of amethinol A, a prototypic amethane diterpene from Isodon amethystoides bearing a six/five/seven-membered carbon-ring system","Acta Crystallographica Section C","2018","74","5","635","640","10.1107/S2053229618005740","","","1.54178","CuKα","","0.0279","0.0277","","","0.0738","0.0739","","","","","","1.052","","","","has coordinates,has Fobs","207530","2020-10-21","18:00:00",""
"2021094","9.7608","0.0003","10.6134","0.0003","11.2721","0.0003","77.398","0.002","75.589","0.002","87.635","0.002","1103.64","0.06","120","0.1","120","","","","","","","","","6","P 1","P 1","1","","N-(2,6-Difluorobenzoyl)-N',N''-bis[(S)-(-)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.05","0.0472","","","0.1182","0.1205","","","","","","1.71","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021095","9.7524","0.0002","10.6117","0.0002","11.251","0.0002","77.3381","0.0015","75.6221","0.0016","87.7313","0.0016","1100.33","0.04","95","0.1","95","","","","","","","","","6","P 1","P 1","1","","N-(2,6-Difluorobenzoyl)-N',N''-bis[(R)-(+)-α-methylbenzyl]phosphoric triamide","","- C23 H24 F2 N3 O2 P -","- C23 H24 F2 N3 O2 P -","- C46 H48 F4 N6 O4 P2 -","2","2","QS3068","Eghbali Toularoud, Mahsa; Pourayoubi, Mehrdad; Dušek, Michal; Eigner, Václav; Damodaran, Krishnan","Chiral one-dimensional hydrogen-bonded architectures constructed from single-enantiomer phosphoric triamides","Acta Crystallographica Section C","2018","74","5","608","617","10.1107/S2053229618004734","","","1.54184","CuKα","","0.0404","0.0394","","","0.097","0.098","","","","","","1.5","","","","has coordinates,has Fobs","207531","2020-10-21","18:00:00",""
"2021096","37.656","0.008","7.031","0.002","21.959","0.004","90","","120.9","0.03","90","","4989","3","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Pentasodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) tetracosahydrate","","- C52 H119 N20 Na5 O60 P8 -","- C52 H75 N20 Na5 O59.4124 P8 -","- C104 H150 N40 Na10 O118.825 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1409","0.0816","","","0.1821","0.1993","","","","","","1.001","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021097","39.474","0.009","6.964","0.002","18.656","0.005","90","","115.18","0.03","90","","4641","2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","Sodium tetrakis(2':3'-isopropylideneadenosine 5'-hypodiphosphate) pentadecahydrate","","- C52 H105 N20 Na O51 P8 -","- C52 H79 N20 Na O51 P8 -","- C104 H158 N40 Na2 O102 P16 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.1339","0.1022","","","0.271","0.3093","","","","","","1.082","","","","has coordinates,has disorder,has Fobs","207532","2020-10-21","18:00:00",""
"2021098","10.515","0.002","11.955","0.002","7.064","0.002","90","","96.62","0.02","90","","882.1","0.3","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(adeninium) hypodiphosphorate dihydrate","","- C10 H18 N10 O8 P2 -","- C10 H18 N10 O8 P2 -","- C20 H36 N20 O16 P4 -","2","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","0.71073","MoKα","","0.0552","0.049","","","0.1316","0.1384","","","","","","1.05","","","","has coordinates,has Fobs","207532","2020-10-21","18:00:00",""
"2021099","12.888","0.005","11.093","0.004","11.487","0.004","90","","101.44","0.03","90","","1609.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(adeninium) hypodiphosphorate","","- C10 H14 N10 O6 P2 -","- C10 H14 N10 O6 P2 -","- C40 H56 N40 O24 P8 -","4","0.5","JX3010","Otreba, Marta; Budzikur, Daria; Górecki, Łukasz; Ślepokura, Katarzyna A.","Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine‒hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts","Acta Crystallographica Section C","2018","74","5","571","583","10.1107/S2053229618005089","","","1.5418","CuKα","","0.055","0.0524","","","0.1446","0.1481","","","","","","1.132","","","","has coordinates,has Fobs","207532","2020-10-21","18:00:00",""
"2021100","6.2115","0.0019","3.715","0.0011","7.172","0.002","90","","90","","90","","165.5","0.08","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel arsenide","","- As Nb0.92 Ni -","- As Nb0.916 Ni -","- As4 Nb3.664 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0225","0.0194","","","0.0369","0.0378","","","","","","0.9","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021101","6.2656","0.0015","3.7273","0.0009","7.1589","0.0017","90","","90","","90","","167.19","0.07","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium cobalt arsenide","","- As Co Nb -","- As Co Nb -","- As4 Co4 Nb4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0215","0.0209","","","0.0509","0.0513","","","","","","1.051","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021102","6.2989","0.0008","3.7613","0.0004","7.2033","0.0008","90","","90","","90","","170.66","0.03","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","Niobium nickel germanide","","- Ge Nb Ni -","- Ge Nb Ni -","- Ge4 Nb4 Ni4 -","4","0.5","LY3065","Baranets, Sviatoslav; He, Hua; Bobev, Svilen","Niobium-bearing arsenides and germanides from elemental mixtures not involving niobium: a new twist to an old problem in solid-state synthesis","Acta Crystallographica Section C","2018","74","5","623","627","10.1107/S2053229618005739","","","0.71073","MoKα","","0.0251","0.0234","","","0.0581","0.0588","","","","","","1.331","","","","has coordinates,has Fobs","207535","2020-10-21","18:00:00",""
"2021103","16.847","0.003","15.6786","0.0018","21.787","0.002","90","","106.954","0.004","90","","5504.7","1.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Magnesium bis(4-methyl-2,6-di(tert-butyl)phenoxide) bis(tetrahydrofuranate)","Bis(2,6-di-tert-butyl-4-methylphenolato-κO)bis(tetrahydrofuran-κO)magnesium","","- C38 H62 Mg O4 -","- C38 H62 Mg O4 -","- C228 H372 Mg6 O24 -","6","3","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0783","0.0473","","","0.1059","0.1216","","","","","","0.979","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021104","27.7603","0.0018","9.0454","0.0006","18.4921","0.0013","90","","118.401","0.002","90","","4084.5","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Bis(2,6-di-tert-butyl-4-methylphenolato-κO)bis(μ~2~-ethyl glycolato-κ^2^O,O':κO)dimethyldialuminium","","- C40 H66 Al2 O8 -","- C40 H66 Al2 O8 -","- C160 H264 Al8 O32 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0678","0.0431","","","0.0974","0.1092","","","","","","1.014","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021105","13.9163","0.0005","20.4248","0.0007","23.0316","0.0008","90","","90","","90","","6546.4","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Octakis(μ~3~-benzyloxo-κO:κO:κO)hexaethylheptazinc","","- C68 H86 O8 Zn7 -","- C68 H86 O8 Zn7 -","- C272 H344 O32 Zn28 -","4","0.5","LG3221","Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Ivchenko, Pavel V.; Lyssenko, Konstantin A.","Phenoxide and alkoxide complexes of Mg, Al and Zn, and their use for the ring-opening polymerization of ε-caprolactone with initiators of different natures","Acta Crystallographica Section C","2018","74","5","548","557","10.1107/S2053229618005090","","","0.71073","MoKα","","0.0334","0.0239","","","0.0517","0.0548","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","207536","2020-10-21","18:00:00",""
"2021106","7.053","0.003","11.864","0.005","11.785","0.006","90","","90","","90","","986.1","0.8","100","2","100","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","Rubidium copper trichloride","","- Cl3 Cu Rb -","- Cl3 Cu Rb -","- Cl24 Cu8 Rb8 -","8","1","KU3218","Kornyakov, Ilya V.; Krivovichev, Sergey V.; Gurzhiy, Vladislav V.; Leoni, Matteo","ε-RbCuCl~3~, a new polymorph of rubidium copper trichloride: synthesis, structure and structural complexity","Acta Crystallographica Section C","2018","74","5","529","533","10.1107/S2053229618004539","","","0.71073","MoKα","","0.037","0.0277","","","0.0416","0.0439","","","","","","1.02","","","","has coordinates,has Fobs","207537","2020-10-21","18:00:00",""
"2021107","9.7361","0.0004","13.7118","0.0005","16.1437","0.0007","90","","92.249","0.003","90","","2153.52","0.15","90","0.5","90","0.5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","1","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0744","0.0447","","","0.1004","0.1146","","","","","","1.022","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021108","8.807","0.0006","14.9505","0.0008","16.6376","0.001","90","","95.903","0.004","90","","2179","0.2","90","0.5","90","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","4,7,10-Tris(carbamoylmethyl)-1-(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-ium dihydrate","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","LG3222","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0412","0.0366","","","0.0942","0.0972","","","","","","1.034","","","","has coordinates,has Fobs","207538","2020-10-21","18:00:00",""
"2021109","9.6871","0.0013","9.6871","","6.4528","0.0008","90","","90","","120","","524.4","0.1","200","2","200","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Trilanthanum titanium pentabismuthide","","- Bi5 La3 Ti -","- Bi5 La3 Ti -","- Bi10 La6 Ti2 -","2","0.0833333","KU3221","Ovchinnikov, Alexander; Bobev, Svilen","Undistorted linear Bi chains with hypervalent bonding in La~3~TiBi~5~ from single-crystal X-ray diffraction","Acta Crystallographica Section C","2018","74","5","618","622","10.1107/S205322961800565X","","","0.71073","MoKα","","0.0209","0.0185","","","0.0359","0.0365","","","","","","1.077","","","","has coordinates,has Fobs","207539","2020-10-21","18:00:00",""
"2021110","23.511","0.0008","10.6098","0.0004","33.8618","0.0011","90","","92.1502","0.0007","90","","8440.8","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κO]pentakis(methanol-κO)lanthanum methanol monosolvate","","- C78 H126 La O18 P3 -","- C78 H126 La O18 P3 -","- C312 H504 La4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0689","0.0415","","","0.081","0.0904","","","","","","1.005","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021111","23.578","0.002","10.6366","0.001","33.808","0.003","90","","92.022","0.002","90","","8473.4","1.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κO]pentakis(methanol-κO)cerium methanol monosolvate","","- C78 H126 Ce O18 P3 -","- C78 H126 Ce O18 P3 -","- C312 H504 Ce4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0587","0.0387","","","0.0833","0.0909","","","","","","1.007","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021112","23.5159","0.0008","10.6376","0.0004","33.6934","0.0012","90","","92.038","0.001","90","","8423.2","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tris[bis(2,6-diisopropylphenyl) phosphato-κO]pentakis(methanol-κO)neodymium methanol monosolvate","","- C78 H126 Nd O18 P3 -","- C78 H126 Nd O18 P3 -","- C312 H504 Nd4 O72 P12 -","4","1","QF3008","Minyaev, Mikhail E.; Tavtorkin, Alexander N.; Korchagina, Sof'ya A.; Bondarenko, Galina N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Isomorphous rare-earth tris[bis(2,6-diisopropylphenyl) phosphate] complexes and their catalytic properties in 1,3-diene polymerization and in the inhibited oxidation of polydimethylsiloxane","Acta Crystallographica Section C","2018","74","5","590","598","10.1107/S2053229618005570","","","0.71073","MoKα","","0.0772","0.0473","","","0.0945","0.1056","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211179","2020-10-21","18:00:00",""
"2021113","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0399","0.0397","","","0.1107","0.111","","","","","","1.102","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021114","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0464","0.0461","","","0.1336","0.1343","","","","","","1.699","","","","has coordinates","207541","2020-10-21","18:00:00",""
"2021115","6.143","0.003","8.4833","0.0017","14.767","0.003","90","","91.94","0.02","90","","769.1","0.4","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3,7α-Dihydroxyestra-1,3,5(10)-trien-17-one monohydrate","","- C18 H24 O4 -","- C18 H24 O4 -","- C36 H48 O8 -","2","1","","Shahid, Ammara; Aziz, Ambreen; Noureen, Sajida; Ahmed, Maqsood; Yousuf, Sammer; Choudhary, Muhammad Iqbal","Biotransformation, spectroscopic investigation, crystal structure and electrostatic properties of 3,7α-dihydroxyestra-1,3,5(10)-trien-17-one monohydrate studied using transferred electron-density parameters","Acta Crystallographica Section C","2018","74","5","534","541","10.1107/S2053229618004953","","","1.54178","CuKα","","0.0319","0.0316","","","0.0876","0.0878","","","","","","1.1","","","","has coordinates,has Fobs","207541","2020-10-21","18:00:00",""
"2021118","9.05","0.005","10.006","0.005","11.082","0.005","69.207","0.005","79.497","0.005","82.267","0.005","919.8","0.8","293","","293","2","","","","","","","","5","P -1","-P 1","2","","Diethylammonium bis(2-oxidobenzoato-κ^2^O^1^,O^2^)borate","","- C18 H20 B N O6 -","- C18 H20 B N O6 -","- C36 H40 B2 N2 O12 -","2","1","WQ3141","Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia","Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates","Acta Crystallographica Section C","2018","74","4","411","417","10.1107/S2053229618002681","","","0.71073","MoKα","","0.0867","0.0432","","","0.0912","0.1087","","","","","","1.009","","","","has coordinates,has Fobs","207637","2020-10-21","18:00:00",""
"2021119","11.529","0.005","8.885","0.005","17.216","0.005","90","","108.308","0.005","90","","1674.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Propylammonium bis(2-oxidobenzoato-κ^2^O^1^,O^2^)borate","","- C17 H18 B N O6 -","- C17 H18 B N O6 -","- C68 H72 B4 N4 O24 -","4","1","","Hadjadj, Nasreddine; Dems, Mohamed AbdEsselem; Merazig, Hocine; Bendjeddou, Lamia","Synthesis, structure characterization, photoluminescence properties and TD‒DFT calculations for two new borates","Acta Crystallographica Section C","2018","74","4","411","417","10.1107/S2053229618002681","","","0.71073","MoKα","","0.059","0.0497","","","0.1409","0.1535","","","","","","1.086","","","","has coordinates,has Fobs","207637","2020-10-21","18:00:00",""
"2021120","5.8043","0.0016","31.562","0.009","7.898","0.002","90","","95.86","0.006","90","","1439.3","0.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-({2-[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]hydrazin-1-ylidene}methyl)phenol","","- C14 H14 N8 O -","- C14 H14 N8 O -","- C56 H56 N32 O4 -","4","1","QS3070","Chen, Xiang; Zhang, Cong; Bai, Yang; Guo, Zhaoqi; Yao, Yanru; Song, Jirong; Ma, Haixia","Synthesis, crystal structure and thermal properties of an unsymmetrical 1,2,4,5-tetrazine energetic derivative","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006617","","","0.71073","MoKα","","0.0961","0.0585","","","0.1544","0.1787","","","","","","1.05","","","","has coordinates,has Fobs","207687","2020-10-21","18:00:00",""
"2021121","10.2225","0.0016","9.6736","0.0016","10.2678","0.0017","90","","112.165","0.008","90","","940.3","0.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Carboxymethyl-3-ethylimidazolium chloride","","- C7 H11 Cl N2 O2 -","- C7 H11 Cl N2 O2 -","- C28 H44 Cl4 N8 O8 -","4","1","KU3219","Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena","Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S2053229618005272","","","0.71073","MoKα","","0.0427","0.0361","","","0.1007","0.1057","","","","","","1.096","","","","has coordinates,has Fobs","207688","2020-10-21","18:00:00",""
"2021122","13.4219","0.0004","8.3679","0.0003","18.5974","0.0007","90","","98.348","0.003","90","","2066.6","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(5E)-3-(4-tert-Butylbenzylidene)-5-(4-fluorobenzylidene)-1-methylpiperidin-4-one","","- C24 H26 F N O -","- C24 H26 F N O -","- C96 H104 F4 N4 O4 -","4","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0716","0.0564","","","0.1358","0.1531","","","","","","1.099","","","","has coordinates,has disorder,has Fobs","207689","2020-10-21","18:00:00",""
"2021123","19.1378","0.0009","16.2788","0.0008","7.5525","0.0004","90","","98.386","0.005","90","","2327.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5E)-3-(4-tert-Butylbenzylidene)-5-(3,5-dimethoxybenzylidene)-1-methylpiperidin-4-one","","- C26 H31 N O3 -","- C26 H31 N O3 -","- C104 H124 N4 O12 -","4","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0623","0.0486","","","0.128","0.1423","","","","","","1.035","","","","has coordinates,has disorder,has Fobs","207689","2020-10-21","18:00:00",""
"2021124","7.0689","0.0005","8.2072","0.0005","20.1397","0.0016","94.401","0.006","97.829","0.006","106.575","0.006","1101.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(5E)-3-{3-[(E)-(2,3-Dihydroxybenzylidene)amino]benzylidene}-5-(2-fluorobenzylidene)-1-methylpiperidin-4-one","","- C27 H23 F N2 O3 -","- C27 H23 F N2 O3 -","- C54 H46 F2 N4 O6 -","2","1","OV3110","Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke","Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006605","","","1.54178","CuKα","","0.0702","0.0487","","","0.1258","0.1488","","","","","","1.026","","","","has coordinates,has Fobs","207689","2020-10-21","18:00:00",""
"2021125","27.4921","0.0013","16.9467","0.0008","30.909","0.0015","90","","106.801","0.001","90","","13785.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diaquapentakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dilanthanum hexane disolvate","","- C132 H203 La2 O23 P5 -","- C132 H203 La2 O23 P5 -","- C528 H812 La8 O92 P20 -","4","1","JX3012","Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006666","","","0.71073","MoKα","","0.0832","0.0526","","","0.132","0.1509","","","","","","1.032","","","","has coordinates,has Fobs","207690","2020-10-21","18:00:00",""
"2021126","15.094","0.007","17.491","0.008","27.444","0.013","102.142","0.007","95.211","0.007","90.412","0.007","7052","6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Tetraaquatetrakis[bis(2,6-diisopropylphenyl) phosphato]-μ-hydroxido-dineodymium bis(2,6-diisopropylphenyl) phosphate heptane disolvate","","- C134 H211 Nd2 O25 P5 -","- C134 H211 Nd2 O25 P5 -","- C268 H422 Nd4 O50 P10 -","2","1","JX3012","Minyaev, Mikhail E.; Korchagina, Sof'ya A.; Tavtorkin, Alexander N.; Churakov, Andrei V.; Nifant'ev, Ilya E.","Dinuclear neodymium and lanthanum bis(2,6-diisopropylphenyl) phosphate complexes bearing a hydroxide ligand: catalytic activity of the Nd complex in 1,3-diene polymerization","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006666","","","0.71073","MoKα","","0.048","0.0365","","","0.0944","0.1015","","","","","","1.018","","","","has coordinates,has Fobs","207690","2020-10-21","18:00:00",""
"2021127","12.3225","0.0009","14.5183","0.0008","13.8141","0.0008","90","","98.361","0.002","90","","2445.1","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 Cl F N3 O5 -","- C23 H31 Cl F N3 O5 -","- C92 H124 Cl4 F4 N12 O20 -","4","1","","Zhou, Xin-Bo; Zhu, Jian-Rong; Gu, Jian-Ming; Hu, Xiu-Rong","A new polymorph of the gastrokinetic drug cisapride monohydrate","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006836","","","0.71073","MoKα","","0.1243","0.0746","","","0.1647","0.1981","","","","","","1.049","","","","has coordinates,has disorder","207902","2020-10-21","18:00:00",""
"2021128","10.801","0.005","17.301","0.008","11.777","0.007","90","","104.28","0.02","90","","2132.7","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methoxy-N^4^-{2-[(4-methylbenzylidene)amino]phenyl}-5-nitrosopyrimidine-2,4-diamine dimethyl sulfoxide monosolvate","","- C21 H24 N6 O3 S -","- C21 H24 N6 O3 S -","- C84 H96 N24 O12 S4 -","4","1","KY3144","Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher","A concise synthesis of a highly substituted 6-(1H-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007015","","","0.71073","MoKα","","0.0721","0.0434","","","0.0885","0.0988","","","","","","1.044","","","","has coordinates,has Fobs","207903","2020-10-21","18:00:00",""
"2021129","10.8498","0.0011","17.2238","0.0015","11.3806","0.0011","90","","115.351","0.003","90","","1921.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N^4^-{2-[(Ethoxymethylidene)amino]phenyl}-6-methoxy-5-nitrosopyrimidine-2,4-diamine dimethyl sulfoxide monosolvate","","- C16 H22 N6 O4 S -","- C16 H22 N6 O4 S -","- C64 H88 N24 O16 S4 -","4","1","KY3144","Cobo, Justo; Vicentes, Daniel E.; Rodríguez, Ricaurte; Marchal, Antonio; Glidewell, Christopher","A concise synthesis of a highly substituted 6-(1H-benzimidazol-1-yl)-5-nitrosopyrimidin-2-amine: synthetic sequence and the molecular and supramolecular structures of one product and two intermediates","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007015","","","0.71073","MoKα","","0.052","0.0372","","","0.0815","0.0884","","","","","","1.045","","","","has coordinates,has Fobs","207903","2020-10-21","18:00:00",""
"2021130","6.7095","0.0003","13.7764","0.0006","30.7205","0.0015","90","","90","","90","","2839.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Theophylline‒3,4-dihydroxybenzoic acid (1/1)","1,3-Dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione‒\ 3,4-dihydroxybenzoic acid (1/1)","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C112 H112 N32 O48 -","8","1","RH3004","Mnguni, Malitsatsi J.; Michael, Joseph P.; Lemmerer, Andreas","Binary polymorphic cocrystals: an update on the available literature in the Cambridge Structural Database, including a new polymorph of the pharmaceutical 1:1 cocrystal theophylline‒3,4-dihydroxybenzoic acid","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006861","","","0.71073","MoKα","","0.1007","0.0478","","","0.1007","0.1229","","","","","","0.999","","","","has coordinates,has Fobs","207943","2020-10-21","18:00:00",""
"2021131","9.842","0.006","9.309","0.006","12.538","0.008","90","","93.45","0.009","90","","1146.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[piperazinediium [tri-μ-iodido-sodium]]","","- C4 H12 I3 N2 Na -","- C4 H12 I3 N2 Na -","- C16 H48 I12 N8 Na4 -","4","0.5","QP3008","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006885","","","0.71073","MoKα","","0.062","0.0575","","","0.1613","0.1652","","","","","","1.031","","","","has coordinates,has Fobs","207944","2020-10-21","18:00:00",""
"2021132","12.186","0.002","22.828","0.005","12.214","0.002","90","","111.89","0.03","90","","3152.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[tris(piperazinediium) [μ-iodido-triiodidosodium] triiodide monohydrate]","","- C12 H38 I7 N6 Na O -","- C12 H38 I7 N6 Na O -","- C48 H152 I28 N24 Na4 O4 -","4","1","QP3008","Chen, Xiao-Gang; Gao, Ji-Xing; Hua, Xiu-Ni; Liao, Wei-Qiang","Three-dimensional organic‒inorganic hybrid sodium halide perovskite: C~4~H~12~N~2~·NaI~3~ and a hydrogen-bonded supramolecular three-dimensional network in 3C~4~H~12~N~2~·NaI~4~·3I·H~2~O","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006885","","","0.71073","MoKα","","0.1521","0.0854","","","0.1213","0.1416","","","","","","1.094","","","","has coordinates,has Fobs","207944","2020-10-21","18:00:00",""
"2021133","9.5552","0.0004","10.3175","0.0005","11.9645","0.0006","91.085","0.004","110.515","0.004","93.998","0.003","1100.85","0.09","99.97","0.11","99.97","0.11","","","","","","","","4","P 1","P 1","1","11-Azaartemisinin‒trans-cinnamic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2E)-3-Phenylprop-2-enoic acid (1/1)","","- C24 H31 N O6 -","- C24 H31 N O6 -","- C48 H62 N2 O12 -","2","2","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0354","0.0315","","","0.0745","0.0769","","","","","","1.001","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021134","9.62162","0.00012","10.40235","0.00011","19.6935","0.0002","90","","90","","90","","1971.07","0.04","99.98","0.11","99.98","0.11","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒cis-butenedioic acid (1/1)","","- C19 H27 N O8 -","- C19 H27 N O8 -","- C76 H108 N4 O32 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0224","0.022","","","0.0554","0.0557","","","","","","1.006","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021135","9.7885","0.0001","9.9965","0.0001","33.7661","0.0004","90","","90","","90","","3304.04","0.06","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11-Azaartemisinin‒maleic acid (2/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒cis-butenedioic acid (2/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C136 H200 N8 O48 -","4","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54178","CuKα","","0.0307","0.0296","","","0.0743","0.0749","","","","","","1.016","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021136","9.57929","0.00011","10.05214","0.00016","17.7765","0.0002","90","","96.4731","0.0011","90","","1700.83","0.04","99.96","0.13","99.96","0.13","","","","","","","","4","P 1 21 1","P 2yb","4","11-Azaartemisinin‒fumaric acid (1/1)","1,5,9-Trimethyl-14,15,16-trioxa-11-azatetracyclo[10.3.1.0^4,13^.0^8,13^]hexadecan-10-one‒(2E)-but-2-enedioic acid (1/1)","","- C34 H50 N2 O12 -","- C34 H50 N2 O12 -","- C68 H100 N4 O24 -","2","1","LF3073","Nisar, Madiha; Wong, Lawrence W.-Y.; Sung, Herman H.-Y.; Haynes, Richard K.; Williams, Ian D.","Cocrystals of the antimalarial drug 11-azaartemisinin with three alkenoic acids of 1:1 or 2:1 stoichiometry","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618006320","","","1.54184","CuKα","","0.0259","0.0254","","","0.0654","0.0657","","","","","","1.018","","","","has coordinates,has Fobs","207961","2020-10-21","18:00:00",""
"2021137","23.849","0.005","11.679","0.002","18.319","0.004","90","","95.28","0.03","90","","5080.8","1.8","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[bis(3,5-di-tert-butylbenzene-1,2-diolato)bis(1,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)[μ~4~-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]cobalt(III)]‒ethanol‒water 1/7/5]","","- C96 H156 Co2 N4 O21 -","- C86 H116 Co2 N4 O11 -","- C172 H232 Co4 N8 O22 -","2","0.5","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","synchrotron","","0.1036","0.0805","","","0.2154","0.2306","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021138","10.072","0.002","16.135","0.003","18.192","0.004","75.34","0.03","83.15","0.03","78.7","0.03","2797.1","1.1","100","","100","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[(3,5-di-tert-butylbenzene-1,2-diolato)(1,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H80 Co N4 O11 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.1245","0.0938","","","0.2554","0.2759","","","","","","1.04","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021139","10.066","0.002","16.124","0.003","18.205","0.004","75.36","0.03","83.11","0.03","78.68","0.03","2795.5","1.1","275","","275","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[(3,5-di-tert-butylbenzene-1,2-diolato)(1,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H80 Co N4 O11 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.1229","0.0865","","","0.2452","0.2685","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021140","10.168","0.002","16.321","0.003","18.515","0.004","75.33","0.03","82.77","0.03","78.77","0.03","2906","1.1","315","","315","","","","","","","","","5","P -1","-P 1","2","","catena-Poly[[[(3,5-di-tert-butylbenzene-1,2-diolato)(1,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-yl-3-olato)cobalt(III)]-μ-1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane]‒ethanol‒water (1/1/5)]","","- C56 H76 Co N4 O9 -","- C56 H70 Co N4 O6 -","- C112 H140 Co2 N8 O12 -","2","1","FP3055","Drath, Olga; Gable, Robert W.; Boskovic, Colette","Structural investigation of one- and two-dimensional coordination polymers based on cobalt‒bis(dioxolene) units and 1-hydroxy-1,2,4,5-tetrakis(pyridin-4-yl)cyclohexane","Acta Crystallographica Section C Structural Chemistry","2018","74","6","","","10.1107/S205322961800671X","","","0.71073","MoKα","","0.152","0.0998","","","0.2861","0.3297","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","207962","2020-10-21","18:00:00",""
"2021141","9.1557","0.0011","23.753","0.003","10.379","0.0013","90","","115.261","0.004","90","","2041.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~6~-pentahydrogen [1,1'-biphenyl]-3,3',5,5'-tetrayltetrakis(phosphonato)]erbium(III)] 2.5-hydrate]","","- C12 H16 Er O14.5 P4 -","- C24 H22 Er2 O29 P8 -","- C48 H44 Er4 O58 P16 -","2","0.5","LG3220","Mendes, Ricardo F.; Firmino, Ana D. G.; Tomé, João P. C.; Almeida Paz, Filipe A.","Metal‒organic framework assembled from erbium and a tetrapodal polyphosphonic acid organic linker","Acta Crystallographica Section C","2018","74","6","","","10.1107/S2053229618007374","","","0.71073","MoKα","","0.1043","0.069","","","0.1073","0.1157","","","","","","1.241","","","","has coordinates,has Fobs","208051","2020-10-21","18:00:00",""
"2021142","12.6071","0.0018","14.764","0.002","18.585","0.003","84.507","0.002","88.508","0.002","84.033","0.002","3424.3","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(18-Crown-6)bis(tetrahydrofuran-κO)sodium bis(η^6^-1,1,2,2-tetraphenylethenediyl)scandium(III) tetrahydrofuran disolvate","","- C80 H96 Na O10 Sc -","- C80 H96 Na O10 Sc -","- C160 H192 Na2 O20 Sc2 -","2","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.156","0.0738","","","0.1565","0.1834","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021143","7.3278","0.0005","5.944","0.0004","26.6551","0.0018","90","","94.352","0.001","90","","1157.65","0.14","123","2","123","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-Diphenylcyclopenta-1,3-diene","","- C17 H14 -","- C17 H14 -","- C68 H56 -","4","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0503","0.0444","","","0.1211","0.1279","","","","","","1.031","","","","has coordinates,has Fobs","208075","2020-10-21","18:00:00",""
"2021144","36.06","0.005","9.5557","0.0014","23.662","0.003","90","","113.84","0.002","90","","7457.7","1.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(η^5^-1,3-Diphenylcyclopentadienyl)(tetrahydrofuran-κO)(η^6^-\ 1,1,2,2-tetraphenylethenediyl)scandium(III) toluene hemisolvate","","- C50.5 H45 O Sc -","- C50.5 H45 O Sc -","- C404 H360 O8 Sc8 -","8","1","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.084","0.0576","","","0.1457","0.1591","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021145","18.1056","0.0012","19.9164","0.0013","21.8633","0.0014","90","","90","","90","","7883.9","0.9","150","2","150","2","","","","","","","","5","I b a m","-I 2 2c","72","","Poly[[(μ~2~-η^3^:η^2^-anthracenediyl)bis(η^6^-anthracenediyl)bis(η^5^-1,3-diphenylcyclopentadienyl)tetrakis(tetrahydrofuran)dipotassiumdiscandium(III)] tetrahydrofuran monosolvate]","","- C96 H96 K2 O5 Sc2 -","- C96 H96 K2 O5 Sc2 -","- C384 H384 K8 O20 Sc8 -","4","0.25","QF3011","Ellis, John E.; Minyaev, Mikhail E.; Nifant'ev, Ilya E.; Churakov, Andrei V.","Scandium complexes with the tetraphenylethylene and anthracene dianions","Acta Crystallographica Section C","2018","74","6","769","781","10.1107/S2053229618007295","","","0.71073","MoKα","","0.0863","0.055","","","0.1331","0.1503","","","","","","1.025","","","","has coordinates,has disorder,has Fobs","208075","2020-10-21","18:00:00",""
"2021146","11.4603","0.0012","11.6052","0.0013","16.3587","0.0018","92.862","0.002","105.149","0.002","97.497","0.002","2074.1","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","octaazacyclodecane","7,7,18,18-Tetraacetyl-4,10,15,21-tetraphenyl-1,2,4,6,8,10,12,13,15,17,19,21-dodecaazapentacyclo[17.3.0.02,6.08,12.013,17]docosan-3,5,9,11,14,16,20,22-octone","","- C42 H32 N12 O12 -","- C42 H32 N12 O12 -","- C84 H64 N24 O24 -","2","1","FN3261","Breton, Gary W.; Martin, Kenneth L.","Unanticipated formation of a novel octaazacyclodecane ring upon oxidation of a 1,1-bis-urazole","Acta Crystallographica Section C","2018","74","5","558","563","10.1107/S2053229618005211","","","0.71073","MoKα","","0.0752","0.0548","","","0.1269","0.1435","","","","","","1.029","","","","has coordinates,has Fobs","208094","2020-10-21","18:00:00",""
"2021147","26.571","0.003","6.9074","0.0008","13.5152","0.0016","90","","90","","90","","2480.5","0.5","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","Emoxypinium maleate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxyprop-2-enoate","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C96 H120 N8 O40 -","8","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0444","0.0366","","","0.0947","0.101","","","","","","1.036","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021148","8.9211","0.0007","10.5301","0.0008","13.7175","0.001","80.0535","0.0011","86.3313","0.0011","66.5117","0.001","1164.07","0.15","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Emoxypinium malonate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 3-carboxypropanoate","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","2","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.0545","0.0385","","","0.1","0.1079","","","","","","1.027","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021149","8.7831","0.0017","8.9442","0.0017","9.6114","0.0018","77.301","0.003","76.142","0.003","85.677","0.003","714.9","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","Emoxypinium adipate","2-Ethyl-3-hydroxy-6-methylpyridin-1-ium 6-carboxyhexanoate","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","YF3142","Manin, Alex N.; Voronin, Alexander P.; Drozd, Ksenia V.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical salts of emoxypine with dicarboxylic acids","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007386","","","0.71073","MoKα","","0.05","0.0406","","","0.1069","0.114","","","","","","1.054","","","","has coordinates,has Fobs","208127","2020-10-21","18:00:00",""
"2021150","7.2911","0.0003","8.1724","0.0003","12.5766","0.0005","89.109","0.0013","74.2345","0.0013","87.4815","0.0013","720.49","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(cytosine)diiodidocadmium(II)","Bis(4-amino-1,2-dihydropyrimidin-2-one-κN^3^)diiodidocadmium(II)","","- C8 H10 Cd I2 N6 O2 -","- C8 H10 Cd I2 N6 O2 -","- C16 H20 Cd2 I4 N12 O4 -","2","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","0.71073","MoKα","","0.0266","0.0213","","","0.0412","0.043","","","","","","1.126","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021151","12.9213","0.0005","8.5142","0.0003","13.6486","0.0006","90","","104.259","0.001","90","","1455.29","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Bis(cytosine)bis(nitrato)cadmium(II),","Bis(4-amino-1,2-dihydropyrimidin-2-one-κN^3^)bis(nitrato-κ^2^O,O')cadmium(II)","","- C8 H10 Cd N8 O8 -","- C8 H10 Cd N8 O8 -","- C32 H40 Cd4 N32 O32 -","4","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","0.71073","MoKα","","0.0354","0.0256","","","0.0474","0.0505","","","","","","1.093","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021152","8.0586","0.0004","10.1383","0.0004","10.1842","0.0004","89.6438","0.0013","68.0189","0.0012","67.7878","0.0012","705.39","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(6-Amino-5-fluorocytosine)aquadibromidozinc(II)‒4-amino-5-fluorocytosine (1/1)","(6-Amino-5-fluoro-1,2-dihydropyrimidin-2-one-κN^3^)aquadibromidozinc(II)‒4-amino-5-fluorocytosine (1/1)","","- C8 H10 Br2 F2 N6 O3 Zn -","- C8 H10 Br2 F2 N6 O3 Zn -","- C16 H20 Br4 F4 N12 O6 Zn2 -","2","1","QS3072","Karthikeyan, Ammasai; Zeller, Matthias; Thomas Muthiah, Packianathan","Supramolecular architectures in metal(II) (Cd/Zn) halide/nitrate complexes of cytosine/5-fluorocytosine","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007672","","","1.54178","CuKα","","0.0199","0.0198","","","0.0491","0.0492","","","","","","1.187","","","","has coordinates,has Fobs","208128","2020-10-21","18:00:00",""
"2021153","15.5215","0.0013","4.1954","0.0004","20.4883","0.0016","90","","93.139","0.006","90","","1332.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(4-Chlorophenyl)-5-formyl-4-methylsulfanyl-2-oxo-1,2-dihydropyridine-3-carbonitrile","","- C14 H9 Cl N2 O2 S -","- C14 H9 Cl N2 O2 S -","- C56 H36 Cl4 N8 O8 S4 -","4","1","FN3255","Joy, Monu; Anabha, E. R.; Gopi, Subash P.; Mathew, Bijo; Kumar S, Ajeesh; Mathews, Annie","Structural and optical profile of a multifunctionalized 2-pyridone derivative in a crystal engineering perspective","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618007490","","","0.71073","MoKα","","0.1343","0.0701","","","0.1138","0.1345","","","","","","1.058","","","","has coordinates,has Fobs","208129","2020-10-21","18:00:00",""
"2021154","8.5101","0.0005","15.023","0.001","15.821","0.001","68.242","0.003","80.424","0.005","89.491","0.005","1849.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","cinnamaide derivatives","(R,S)-(2E)-N-(2-Hydroxybutyl)-3-phenylprop-2-enamide‒water (3/1)","","- C13 H17.66667 N O2.33333 -","- C13 H17.6667 N O2.33333 -","- C78 H106 N6 O14 -","6","3","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","0.71073","MoKα","","0.0893","0.0585","","","0.1246","0.1404","","","","","","1.066","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021155","5.992","0.0001","14.451","0.0004","14.346","0.0003","90","","104.178","0.002","90","","1204.39","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cinnamaide derivatives","(2E)-N-(1-Hydroxy-2-methylpropan-2-yl)-3-phenylprop-2-enamide","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","0.71073","MoKα","","0.0578","0.0443","","","0.1108","0.1209","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","208130","2020-10-21","18:00:00",""
"2021156","10.6921","0.0002","21.1761","0.0004","11.8518","0.0002","90","","94.198","0.002","90","","2676.25","0.08","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cinnamaide derivatives","(R,S)-(2E)-N-(1-Hydroxy-3-methyl-butan-2-yl)-3-phenylprop-2-enamide","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C112 H152 N8 O16 -","8","2","QS3071","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Gunia-Krzyżak, Agnieszka","Cinnamamide pharmacophore for anticonvulsant activity: evidence from crystallographic studies","Acta Crystallographica Section C Structural Chemistry","2018","74","7","","","10.1107/S2053229618007660","","","1.54184","CuKα","","0.0588","0.0451","","","0.1176","0.1297","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","208130","2020-10-21","18:00:00",""
"2021157","23.7755","0.0016","8.3718","0.0005","16.3235","0.0012","90","","124.106","0.003","90","","2690.3","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-Formylphenyl 4-methylbenzenesulfonate","","- C14 H12 O4 S -","- C14 H12 O4 S -","- C112 H96 O32 S8 -","8","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0511","0.0385","","","0.1023","0.1118","","","","","","1.038","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021158","13.7066","0.0008","12.9371","0.0008","7.431","0.0004","90","","91.565","0.003","90","","1317.2","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Formylphenyl 4-chlorobenzenesulfonate","","- C13 H9 Cl O4 S -","- C13 H9 Cl O4 S -","- C52 H36 Cl4 O16 S4 -","4","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0669","0.0427","","","0.1027","0.1161","","","","","","1.028","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021159","7.8282","0.0005","8.5963","0.0006","10.1139","0.0006","91.249","0.003","102.818","0.002","95.938","0.003","659.38","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2-Formylphenyl 4-bromobenzenesulfonate","","- C13 H9 Br O4 S -","- C13 H9 Br O4 S -","- C26 H18 Br2 O8 S2 -","2","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0459","0.0314","","","0.0745","0.0803","","","","","","1.019","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021160","10.467","0.0005","11.9547","0.0005","10.6575","0.0004","90","","98.045","0.001","90","","1320.45","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Formylphenyl 4-chlorobenzenesulfonate","","- C13 H9 Cl O4 S -","- C13 H9 Cl O4 S -","- C52 H36 Cl4 O16 S4 -","4","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.0522","0.038","","","0.0991","0.1072","","","","","","1.045","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021161","6.8248","0.0003","7.2849","0.0004","15.1587","0.0009","79.746","0.003","83.57","0.002","65.091","0.002","672.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-Formylphenyl 4-bromobenzenesulfonate","","- C13 H9 Br O4 S -","- C13 H9 Br O4 S -","- C26 H18 Br2 O8 S2 -","2","1","RH3006","Andleeb, Hina; Khan, Imtiaz; Bauzá, Antonio; Tahir, Muhammad Nawaz; Simpson, Jim; Hameed, Shahid; Frontera, Antonio","A comparative experimental and theoretical investigation of hydrogen-bond, halogen-bond and π‒π interactions in the solid-state supramolecular assembly of 2- and 4-formylphenyl arylsulfonates","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008355","","","0.71073","MoKα","","0.068","0.0321","","","0.0733","0.0834","","","","","","1.007","","","","has coordinates,has Fobs","208269","2020-10-21","18:00:00",""
"2021162","12.251","0.006","14.971","0.008","10.868","0.006","90","","95.289","0.009","90","","1984.8","1.8","290","2","290","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Xanthenedione","9-(3-Hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione","","- C23 H26 O4 -","- C23 H26 O4 -","- C92 H104 O16 -","4","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.065","0.0445","","","0.1091","0.118","","","","","","1.044","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021163","20.6531","0.0014","9.5629","0.0007","22.4489","0.0016","90","","90","","90","","4433.7","0.5","290","2","290","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Xanthenedione","9-(5-Bromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7-tetrahydro-2H-xanthene-1,8(5H,9H)-dione","","- C24 H27 Br O4 -","- C24 H27 Br O4 -","- C192 H216 Br8 O32 -","8","1","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.1421","0.0572","","","","0.13","","","","","","0.994","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021164","9.2893","0.0011","10.0558","0.0012","22.911","0.003","83.057","0.002","85.272","0.002","64.888","0.002","1922.5","0.4","290","2","290","2","","","","","","","","4","P -1","-P 1","2","Xanthenedione","3,3,6,6-Tetramethyl-9-(pyridin-2-yl)-3,4,6,7-tetrahydro-2H-xanthene-1,8(5H,9H)-dione","","- C22 H25 N O3 -","- C22 H25 N O3 -","- C88 H100 N4 O12 -","4","2","RH3005","Purushothaman, Gayathri; Thiruvenkatam, Vijay","Qualitative and quantitative analysis of intermolecular interactions in xanthenedione derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S205322961800832X","","","0.71073","MoKα","","0.0969","0.0767","","","0.2145","0.2229","","","","","","1.095","","","","has coordinates,has Fobs","208336","2020-10-21","18:00:00",""
"2021165","9.1241","0.0004","20.098","0.0009","10.7456","0.0005","90","","110.224","0.002","90","","1849","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[4-Acetyl-5-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate","","- C19 H16 F I N2 O4 -","- C19 H16 F I N2 O4 -","- C76 H64 F4 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and in vitro cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0234","0.0198","","","0.0454","0.0468","","","","","","1.055","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021166","11.703","0.002","22.037","0.004","7.4073","0.0012","90","","92.888","0.008","90","","1907.9","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-[4-Acetyl-5-(4-chlorophenyl)-5-methyl-4,5-dihydro-1,3,4-oxadiazol-2-yl]-4-iodophenyl acetate","","- C19 H16 Cl I N2 O4 -","- C19 H16 Cl I N2 O4 -","- C76 H64 Cl4 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and in vitro cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0274","0.0213","","","0.0486","0.0514","","","","","","1.039","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021167","8.837","0.001","20.056","0.001","11.015","0.001","90","","110.18","0.01","90","","1832.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4-Acetyl-5-methyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)-4-iodophenyl acetate","","- C19 H17 I N2 O4 -","- C19 H17 I N2 O4 -","- C76 H68 I4 N8 O16 -","4","1","SK3693","Nguyen Tien, Cong; Nguyen Van, Thin; Le Duc, Giang; Vu Quoc, Manh; Vu Quoc, Trung; Pham Chien, Thang; Nguyen Huy, Hung; Dang Thi Tuyet, Anh; Nguyen Van, Tuyen; Van Meervelt, Luc","Synthesis, structure and in vitro cytotoxicity testing of some 1,3,4-oxadiazoline derivatives from 2-hydroxy-5-iodobenzoic acid","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008719","","","0.71073","MoKα","","0.0266","0.0217","","","0.0484","0.05","","","","","","1.045","","","","has coordinates,has Fobs","208483","2020-10-21","18:00:00",""
"2021168","11.5982","0.0003","8.8651","0.0002","15.2964","0.0003","90","","103.581","0.002","90","","1528.79","0.06","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis{(R,S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C15 H24 N O4 -","- C15 H24 N O4 -","- C60 H96 N4 O16 -","4","1","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.047","0.0402","","","0.1075","0.1145","","","","","","1.039","","","","has coordinates,has disorder,has Fobs","208530","2020-10-21","18:00:00",""
"2021169","11.1942","0.0001","8.6142","0.0001","31.6661","0.0002","90","","93.082","0.001","90","","3049.12","0.05","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis{(S)-(+)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-hydroxypropan-2-aminium} succinate","","- C30 H48 N2 O8 -","- C30 H48 N2 O8 -","- C120 H192 N8 O32 -","4","2","SK3695","Żesławska, Ewa; Nitek, Wojciech; Marona, Henryk; Waszkielewicz, Anna M.","Supramolecular architectures of succinates of 1-hydroxypropan-2-aminium derivatives","Acta Crystallographica Section C","2018","74","7","","","10.1107/S2053229618008574","","","1.54184","CuKα","","0.0323","0.0317","","","0.0818","0.0826","","","","","","1.026","","","","has coordinates,has Fobs","208530","2020-10-21","18:00:00",""
"2021170","7.5508","0.0001","23.0248","0.0002","15.8985","0.0001","90","","102.081","0.001","90","","2702.83","0.05","100","2","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido(η^6^-p-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^N,N')ruthenium(II)hexafluoridophosphate","","- C24 H26 Cl F6 N2 O4 P Ru -","- C24 H26 Cl F6 N2 O4 P Ru -","- C96 H104 Cl4 F24 N8 O16 P4 Ru4 -","4","1","YF3137","Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef","Concomitant polymorphism in an organometallic ruthenium(II) complex with an N,N'-donor ligand","Acta Crystallographica Section C","2018","74","6","683","689","10.1107/S2053229618006654","","","0.56083","AgKα","","0.0342","0.0261","","","0.0565","0.0628","","","","","","1.077","","","","has coordinates,has Fobs","208802","2020-10-21","18:00:00",""
"2021171","11.4706","0.0003","16.97","0.0004","13.9242","0.0004","90","","99.55","0.002","90","","2672.87","0.12","100","2","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","Chlorido(η^6^-cymene)(dimethyl 2,2'-bypyridine-4,5-dicarboxylate-κ^2^N,N')ruthenium(II)hexafluoridophosphate","","- C24 H26 Cl F6 N2 O4 P Ru -","- C24 H26 Cl F6 N2 O4 P Ru -","- C96 H104 Cl4 F24 N8 O16 P4 Ru4 -","4","1","YF3137","Traven, Katja; Turel, Iztok; Koziskova, Julia; Bučinský, Lukáč; Kožíšek, Jozef","Concomitant polymorphism in an organometallic ruthenium(II) complex with an N,N'-donor ligand","Acta Crystallographica Section C","2018","74","6","683","689","10.1107/S2053229618006654","","","0.56083","AgKα","","0.0273","0.0229","","","0.0551","0.0584","","","","","","1.049","","","","has coordinates,has disorder,has Fobs","208802","2020-10-21","18:00:00",""
"2021172","6.6712","0.0003","11.9999","0.0005","22.2073","0.0008","90","","90","","90","","1777.78","0.13","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","3β,20-Epoxy-3α,16-dihydroxy-15-oxo-7-pimaren-19,6β-olide","13-Hydroxy-5-(2-hydroxyacetyl)-5,12-dimethyl-10,14-dioxapentacyclo[11.2.2.1^{1,9}.0^{2,7}.0^{12,18}^]octadec-7-en-11-one","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","0.71073","MoKα","","0.0805","0.0611","","","","0.1643","","","","","","1.039","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021173","11.7555","0.0014","20.224","0.002","8.0385","0.0011","90","","90","","90","","1911.1","0.4","296","2","296","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","3β,6β,16-Trihydroxy-7-pimaren-19,20β-olide monohydrate","5-(1,2-Dihydroxyethyl]-9,17-dihydroxy-5,11-dimethyl-13-\ oxatetracyclo[9.3.3.0^1,10^.0^2,7^]heptadec-7-en-12-one monohydrate","","- C20 H32 O7 -","- C20 H32 O7 -","- C80 H128 O28 -","4","1","QS3074","Brito, Maria V.; Marques, Ricardo A.; Mattos, Marcos C.; Alvarenga, Meiry E.; Valdo, Ana Karoline S. M.; Oliveira, Maria C. F.; Martins, Felipe T.","Semisynthesis and absolute configuration of a novel rearranged 19,20-δ-lactone (9βH)-pimarane diterpene","Acta Crystallographica Section C Structural Chemistry","2018","74","8","","","10.1107/S2053229618009452","","","1.54178","CuKα","","0.0648","0.0455","","","0.1222","0.1369","","","","","","1.052","","","","has coordinates,has Fobs","208903","2020-10-21","18:00:00",""
"2021174","10.392","0.002","12.459","0.003","15.726","0.003","90","","94.25","0.03","90","","2030.5","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-Poly[4,4'-(buta-1,3-diene-1,4-diyl)dipyridin-1-ium [(μ~4~-benzene-1,2,4,5-tetracarboxylato-κ^6^O^1^,O^1'^:O^2^:O^4^,O^4'^:O^5^)cadmium(II)]]","","- C24 H16 Cd N2 O8 -","- C24 H16 Cd N2 O8 -","- C96 H64 Cd4 N8 O32 -","4","0.5","SK3694","Zhou, Qian-Kun; Wang, Lin; Liu, Dong","Construction of a three-dimensional supramolecular framework based on an anionic cadmium(II) coordination network and protonated dipyridine organic cations","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009233","","","0.71073","MoKα","","0.0196","0.0184","","","0.051","0.0518","","","","","","1.076","","","","has coordinates,has Fobs","208904","2020-10-21","18:00:00",""
"2021175","9.1432","0.0018","10.439","0.002","10.872","0.002","73.04","0.03","83.23","0.03","78.38","0.03","970.3","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ-trans-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^N:N'](μ~3~-5-methylisophthalato-κ^4^O^1^,O^1'^:O^3^:O^3'^)cadmium(II)]","","- C21 H17 Cd N3 O4 -","- C21 H17 Cd N3 O4 -","- C42 H34 Cd2 N6 O8 -","2","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0237","0.02","","","0.0454","0.0468","","","","","","1.092","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021176","12.387","0.003","14.684","0.003","20.016","0.004","90","","90","","90","","3640.7","1.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Poly[[μ-trans-1-(2-aminopyridin-3-yl)-2-(pyridin-4-yl)ethene-κ^2^N:N'](μ~2~-5-hydroxyisophthalato-κ^4^O^1^,O^1'^:O^3^:O^5^)cadmium(II)]","","- C20 H15 Cd N3 O5 -","- C20 H15 Cd N3 O5 -","- C160 H120 Cd8 N24 O40 -","8","1","SK3696","Wang, Lin; Zhou, Qian-Kun; Xu, Yun; Li, Ni-Ya","Substituent effects of two isophthalate derivatives on the construction of cadmium coordination polymers incorporating a dipyridyl ligand","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009312","","","0.71073","MoKα","","0.0235","0.0201","","","0.0513","0.0536","","","","","","1.137","","","","has coordinates,has Fobs","208905","2020-10-21","18:00:00",""
"2021178","12.3957","0.0008","4.9381","0.0002","14.2102","0.0012","90","","94.871","0.006","90","","866.68","0.1","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.43 Cl0.57 O2 -","- C9 H7 Br0.425 Cl0.575 O2 -","- C36 H28 Br1.7 Cl2.3 O8 -","4","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0479","0.0367","","","0.0899","0.0972","","","","","","0.996","","","","has coordinates","209026","2020-10-21","18:00:00",""
"2021179","19.054","0.005","3.9451","0.0007","24.661","0.005","90","","111.81","0.03","90","","1721.1","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","3-(3-Chloro/bromophenyl)prop-2-enoic acid","","- C9 H7 Br0.49 Cl0.51 O2 -","- C9 H7 Br0.494 Cl0.506 O2 -","- C72 H56 Br3.952 Cl4.048 O16 -","8","1","KU3223","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphic phase transformations of 3-chloro-trans-cinnamic acid and its solid solution with 3-bromo-trans-cinnamic acid","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009269","","","1.54184","CuKα","","0.0763","0.0494","","","0.1308","0.1516","","","","","","1.031","","","","has coordinates,has Fobs","209026","2020-10-21","18:00:00",""
"2021180","16.4417","0.0007","5.1623","0.0002","23.7712","0.0009","90","","107.43","0.004","90","","1924.99","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","Ethyl (S)-P-(4-oxo-4H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3-yl)-N-[(R)-1-phenylethyl]phosphonamidate","","- C20 H20 N3 O3 P S -","- C20 H20 N3 O3 P S -","- C80 H80 N12 O12 P4 S4 -","4","2","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0598","0.0558","","","0.1459","0.1496","","","","","","1.06","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021181","9.6275","0.0004","10.0903","0.0005","11.8585","0.0006","65.779","0.005","67.462","0.005","74.329","0.004","961.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Diethyl (4-isopropyl-2-oxo-3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidin-3-yl)phosphonate","","- C18 H25 N2 O4 P S -","- C18 H25 N2 O4 P S -","- C36 H50 N4 O8 P2 S2 -","2","1","YF3147","Pietrzak, Anna; Modranka, Jakub; Wojciechowski, Jakub; Janecki, Tomasz; Wolf, Wojciech M.","Supramolecular architecture in azaheterocyclic phosphonates. III. Structures of an ethyl phosphonamidate and an ethyl phosphonate","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009609","","","1.54184","CuKα","","0.0568","0.0554","","","0.1628","0.1647","","","","","","1.076","","","","has coordinates,has disorder,has Fobs","209027","2020-10-21","18:00:00",""
"2021182","9.3311","0.0004","13.2097","0.0005","19.9741","0.0009","90","","93.275","0.005","90","","2458.01","0.18","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tris(3,4,5-trimethyl-1H-pyrazole-κN^2^)copper(II)]-μ-oxido-[tetrafluoridoniobium(V)]-μ-fluorido]","","- C18 H30 Cu F5 N6 Nb O -","- C18 H30 Cu F5 N6 Nb O -","- C72 H120 Cu4 F20 N24 Nb4 O4 -","4","1","QF3015","Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Making an order: the concerted alignment of [MOF~5~]^2{-^} (M = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1H-pyrazole)copper(II)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009853","","","0.71073","MoKα","","0.0512","0.0246","","","0.0461","0.0477","","","","","","0.81","","","","has coordinates,has Fobs","209126","2020-10-21","18:00:00",""
"2021183","9.3367","0.0003","13.1541","0.0006","20.0036","0.0005","90","","93.232","0.003","90","","2452.85","0.15","213","2","213","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tris(3,4,5-trimethyl-1H-pyrazole-κN^2^)copper(II)]-μ-oxido-[tetrafluoridotantalum(V)]-μ-fluorido]","","- C18 H30 Cu F5 N6 O Ta -","- C18 H30 Cu F5 N6 O Ta -","- C72 H120 Cu4 F20 N24 O4 Ta4 -","4","1","QF3015","Sharko, Anastasiya V.; Erhart, Oliver; Krautscheid, Harald; Domasevitch, Kostiantyn V.","Making an order: the concerted alignment of [MOF~5~]^2{-^} (M = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1H-pyrazole)copper(II)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009853","","","0.71073","MoKα","","0.0359","0.0237","","","0.0512","0.0522","","","","","","0.838","","","","has coordinates,has Fobs","209126","2020-10-21","18:00:00",""
"2021184","7.337","0.002","10.991","0.003","27.078","0.008","98.241","0.009","91.151","0.01","91.244","0.009","2159.9","1.1","100.01","","100.01","","","","","","","","","6","P -1","-P 1","2","Gefitinib methanol hemisolvate","N-(3-Chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-yl)propoxy]quinazolin-4-amine methanol hemisolvate","","- C45.042 H52.17 Cl2 F2 N8 O7 -","- C22.5212 H26.0849 Cl F N4 O3.5 -","- C90.0849 H104.34 Cl4 F4 N16 O14 -","4","2","LF3076","Angira, Deekshi; Shaik, Althaf; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Exploring a solvated dimer of Gefitinib: a quantitative analysis","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009671","","","0.71073","MoKα","","0.0827","0.0539","","","0.125","0.1397","","","","","","1.0669","","","","has coordinates,has disorder,has Fobs","209161","2020-10-21","18:00:00",""
"2021185","6.9809","0.0007","6.9809","0.0007","12.027","0.0009","90","","90","","120","","507.59","0.08","293","2","293","2","","","","","","","","5","P 63 m c","P 6c -2c","186","Caesium manganese hexahydrate phosphate","Caesium manganese hexahydrate phosphate","","- Cs H12 Mn O10 P -","- Cs H12 Mn O10 P -","- Cs2 H24 Mn2 O20 P2 -","2","0.166667","FN3263","Kiriukhina, Galina V.; Yakubovich, Olga V.; Kochetkova, Ekaterina M.; Dimitrova, Olga V.; Volkov, Anatoliy S.","A first Mn member in the struvite morphotropic series, CsMn(H~2~O)~6~(PO~4~): hydrothermal synthesis, crystal structure and interconnections within the family of related phosphates","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009798","","","0.71073","MoKα","","0.0378","0.0328","","","0.0639","0.0656","","","","","","1.157","","","","has coordinates,has Fobs","209162","2020-10-21","18:00:00",""
"2021186","7.9226","0.0009","19.1965","0.0018","17.2011","0.0016","90","","102.46","0.003","90","","2554.4","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[triaqua(5-amino-2,4,6-tribromoisophthalato-κO)cadmium(II)]-μ-3,3'-(diazene-1,2-diyl)dipyridine-κ^2^N^1^:N^1'^] dihydrate]","","- C18 H20 Br3 Cd N5 O9 -","- C18 H20 Br3 Cd N5 O9 -","- C72 H80 Br12 Cd4 N20 O36 -","4","1","LY3068","Zhang, Chong; Zhang, Kou-Lin","Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S205322961801015X","","","0.71073","MoKα","","0.0418","0.0277","","","0.0556","0.0597","","","","","","1.038","","","","has coordinates,has Fobs","209233","2020-10-21","18:00:00",""
"2021187","17.7463","0.0013","8.6866","0.0007","21.9891","0.0013","90","","116.41","0.004","90","","3036","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[[tetraaquacadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ^2^N^1^:N^1'^-[diaquabis(5-amino-2,4,6-tribromoisophthalato-κO)cadmium(II)]-μ-1,3-bis(pyridin-3-ylmethyl)urea-κ^2^N^1^:N^1'^] octahydrate]","","- C21 H30 Br3 Cd N5 O12 -","- C21 H30 Br3 Cd N5 O12 -","- C84 H120 Br12 Cd4 N20 O48 -","4","1","LY3068","Zhang, Chong; Zhang, Kou-Lin","Synthesis and characterization of two one-dimensional Cd^II^ coordination polymers (CPs) with 5-amino-2,4,6-tribromoisophthalic acid and flexible N-donor bipyridyl ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S205322961801015X","","","0.71073","MoKα","","0.0439","0.0301","","","0.0733","0.0785","","","","","","1.039","","","","has coordinates,has Fobs","209233","2020-10-21","18:00:00",""
"2021188","11.2716","0.0005","26.9672","0.0011","11.3809","0.0005","90","","109.986","0.001","90","","3251","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[[aqua[μ~3~-4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1H-imidazole-5-carboxylato-κ^5^O^1^O^1'^:N^3^,O^4^:O^5^][μ~4~-1-(4-carboxylatobenzyl)-2-propyl-1H-imidazole-4-carboxylato-κ^7^N^3^,O^4^:O^4^,O^4'^:O^1^,O^1'^:O^1^]cadmium(II)] monohydrate]","","- C31 H32 Cd2 N4 O12 -","- C31 H32 Cd2 N4 O12 -","- C124 H128 Cd8 N16 O48 -","4","1","KY3143","Li, Fenfang; Zhu, Miaoli; Lu, Liping","A two-dimensional cadmium(II) coordination polymer constructed from 4-carboxy-1-(4-carboxylatobenzyl)-2-propyl-1H-imidazole-5-carboxylate and 1-(4-carboxylatobenzyl)-2-propyl-1H-imidazole-4-carboxylate ligands","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618010239","","","0.71073","MoKα","","0.0587","0.0495","","","0.1024","0.106","","","","","","1.174","","","","has coordinates,has Fobs","209234","2020-10-21","18:00:00",""
"2021189","21.3218","0.0016","8.6006","0.0006","25.2773","0.0019","90","","112.768","0.002","90","","4274.2","0.5","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","1,2-Dihydro-1,1'-bi[thiazolo[3,2-a]quinoline]-10a,10a'-diium diiodide hemihydrate","","- C22 H17 I2 N2 O0.5 S2 -","- C22 H17 I2 N2 O0.5 S2 -","- C176 H136 I16 N16 O4 S16 -","8","1","LG3225","Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V.","Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009385","","","0.71073","MoKα","","0.0671","0.0435","","","0.1047","0.116","","","","","","1.021","","","","has coordinates,has Fobs","209274","2020-10-21","18:00:00",""
"2021190","8.409","0.0004","11.1793","0.0005","15.0322","0.0007","100.233","0.001","105.798","0.001","100.372","0.001","1298.61","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","1,2-Dihydro-1,1'-bi[thiazolo[3,2-a]quinoline]-10a,10a'-diium iodide triiodide","","- C22 H16 I4 N2 S2 -","- C22 H16 I4 N2 S2 -","- C44 H32 I8 N4 S4 -","2","1","LG3225","Rudakov, Boris V.; Stash, Adam I.; Makarov, Gennady I.; Matveychuk, Yury V.; Zherebtsov, Dmitry A.; Bartashevich, Ekaterina V.","Why are reactions of 2- and 8-thioquinoline derivatives with iodine different?","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618009385","","","0.71073","MoKα","","0.0779","0.0479","","","0.1194","0.1353","","","","","","0.999","","","","has coordinates,has Fobs","209274","2020-10-21","18:00:00",""
"2021191","6.7891","0.0001","16.7667","0.0002","11.7793","0.0001","90","","90.752","0.001","90","","1340.73","0.03","293","2","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-Poly[potassium [tetraaqua(μ-5-sulfobenzene-1,3-dicarboxylato)zinc(II)]]","","- C8 H11 K O11 S Zn -","- C8 H11 K O11 S Zn -","- C32 H44 K4 O44 S4 Zn4 -","4","1","OV3111","Silva, Flávia H.; Franco, Chris H. J.; Corrêa, Charlane C.; Diniz, Renata","Synthesis, crystal structure and topological analysis of a three-dimensional polymeric network based on zinc(II), potassium and 5-sulfobenzene-1,3-dicarboxylate (SIP)","Acta Crystallographica Section C","2018","74","8","","","10.1107/S2053229618010264","","","0.7107","MoKα","","0.0313","0.0269","","0.0664","","0.0645","","","1.03","","","1.03","","","","has coordinates,has Fobs","209288","2020-10-21","18:00:00",""
"2021192","7.5583","0.0007","12.7016","0.0011","15.7903","0.0014","90","","90","","90","","1515.9","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","Furan-2,5-dicarboxylic acid dimethylformamide disolvate","","- C12 H18 N2 O7 -","- C12 H18 N2 O7 -","- C48 H72 N8 O28 -","4","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0427","0.0301","","","0.0621","0.0665","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021193","6.3129","0.0008","6.9099","0.0009","13.0901","0.0017","80.5164","0.0017","77.3664","0.0017","63.826","0.0016","498.53","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Furan-2,5-dicarboxylic acid dimethyl sulfoxide monosolvate","","- C8 H10 O6 S -","- C8 H10 O6 S -","- C16 H20 O12 S2 -","2","1","","Mao, Yimin; Zavalij, Peter Y.","Two furan-2,5-dicarboxylic acid solvates crystallized from dimethylformamide and dimethyl sulfoxide","Acta Crystallographica Section C","2018","74","8","986","990","10.1107/S2053229618010471","","","0.71073","MoKα","","0.0267","0.0244","","","0.0506","0.0513","","","","","","1","","","","has coordinates,has Fobs","209309","2020-10-21","18:00:00",""
"2021194","8.4954","0.0003","8.679","0.0003","10.7105","0.0004","100.366","0.003","100.314","0.003","90.093","0.003","763.79","0.05","100.2","0.8","100.2","0.8","","","","","","","","6","P 1","P 1","1","N-[Diethoxy(sulfanylidene)-λ^5^-phosphanyl]-2,4,6-trimethylaniline","O,O'-Diethyl N-(2,4,6-trimethylphenyl)thiophosphate","","- C13 H22 N O2 P S -","- C13 H22 N O2 P S -","- C26 H44 N2 O4 P2 S2 -","2","2","KY3141","Torabi Farkhani, Elham; Pourayoubi, Mehrdad; Izadyar, Mohammad; Andreev, Pavel V.; Shchegravina, Ekaterina S.","Evaluation of N—H···S and N—H···π interactions in O,O'-diethyl N-(2,4,6-trimethylphenyl)thiophosphate: a combination of X-ray crystallographic and theoretical studies","Acta Crystallographica Section C","2018","74","7","847","855","10.1107/S2053229618007933","","","0.71073","MoKα","","0.0373","0.0358","","","0.0879","0.0887","","","","","","1.08","","","","has coordinates,has Fobs","209380","2020-10-21","18:00:00",""
"2021195","7.2479","0.0005","8.1177","0.0005","16.9716","0.0012","81.374","0.003","86.946","0.004","81.339","0.003","975.51","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","fac-Tricarbonylchlorido[1-(4-fluorocinnamoyl)-3-(pyridin-2-yl-κN)pyrazole-κN^2^]rhenium(I)","","- C20 H12 Cl F N3 O4 Re -","- C20 H12 Cl F N3 O4 Re -","- C40 H24 Cl2 F2 N6 O8 Re2 -","2","1","YF3146","Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.","Supramolecular structures of rhenium(I) complexes mediated by ligand planarity via the interplay of substituents","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618010586","","","0.71073","MoKα","","0.0553","0.0476","","","0.1259","0.1295","","","","","","1.137","","","","has coordinates,has Fobs","209414","2020-10-21","18:00:00",""
"2021196","7.9828","0.0003","12.0719","0.0004","14.456","0.0005","104.093","0.002","99.708","0.002","104.184","0.002","1270.78","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","fac-Tricarbonylchlorido[1-(4-nitrocinnamoyl)-3-(pyridin-2-yl-κN)pyrazole-κN^2^]rhenium(I) acetone monosolvate","","- C23 H18 Cl N4 O7 Re -","- C23 H18 Cl N4 O7 Re -","- C46 H36 Cl2 N8 O14 Re2 -","2","1","YF3146","Mark-Lee, Wun Fui; Chong, Yan Yi; Kassim, Mohammad B.","Supramolecular structures of rhenium(I) complexes mediated by ligand planarity via the interplay of substituents","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618010586","","","0.71073","MoKα","","0.1024","0.0582","","","0.1277","0.1541","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","209414","2020-10-21","18:00:00",""
"2021197","7.5237","0.0004","7.5739","0.0004","12.5089","0.0007","79.629","0.002","79.596","0.002","75.895","0.002","673","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-bromothiophene-2-carboxylic acid (1/1)","","- C11 H11 Br Cl N3 O2 S -","- C11 H11 Br Cl N3 O2 S -","- C22 H22 Br2 Cl2 N6 O4 S2 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0425","0.0336","","","0.0661","0.0695","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","209667","2020-10-21","18:00:00",""
"2021198","7.2182","0.0003","7.6364","0.0003","12.7516","0.0006","90.707","0.002","102.629","0.002","105.338","0.002","659.61","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒5-chlorothiophene-2-carboxylic acid (1/1)","","- C11 H11 Cl2 N3 O2 S -","- C11 H11 Cl2 N3 O2 S -","- C22 H22 Cl4 N6 O4 S2 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0635","0.0506","","","0.1292","0.1379","","","","","","1.151","","","","has coordinates,has disorder,has Fobs","209667","2020-10-21","18:00:00",""
"2021199","7.3015","0.0004","7.506","0.0006","14.9665","0.0008","92.539","0.005","98.522","0.005","113.657","0.007","738.12","0.09","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-Amino-5-chloro-2,6-dimethylpyrimidine—2,4-dichlorobenzoic acid (1/1)","","- C13 H12 Cl3 N3 O2 -","- C13 H12 Cl3 N3 O2 -","- C26 H24 Cl6 N6 O4 -","2","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0575","0.0465","","","0.123","0.1351","","","","","","1.05","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021200","8.0965","0.0002","7.2427","0.0003","24.0738","0.0009","90","","90.831","0.003","90","","1411.55","0.09","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-aminobenzoic acid (1/1)","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0472","0.0388","","","0.1027","0.1096","","","","","","1.051","","","","has coordinates","209667","2020-10-21","18:00:00",""
"2021201","8.273","0.003","12.746","0.004","13.32","0.004","90","","102.39","0.005","90","","1371.9","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒5-methylthiophene-2-carboxylic acid (1/1)","","- C12 H14 Cl N3 O2 S -","- C12 H14 Cl N3 O2 S -","- C48 H56 Cl4 N12 O8 S4 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","0.71073","MoKα","","0.0368","0.0336","","","0.0895","0.0918","","","","","","1.048","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021202","10.1421","0.0005","10.4218","0.0005","13.2681","0.0006","90","","107.804","0.005","90","","1335.26","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒benzoic acid (1/1)","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0432","0.0409","","","0.1147","0.1179","","","","","","1.039","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021203","7.3992","0.0002","13.9842","0.0004","26.9897","0.0008","90","","90","","90","","2792.68","0.14","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒2-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","2","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0377","0.0343","","","0.0884","0.0913","","","","","","1.044","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021204","8.4524","0.0001","13.5387","0.0002","24.9813","0.0003","90","","90","","90","","2858.72","0.06","120","2","120","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒3-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C112 H128 Cl8 N24 O16 -","8","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0375","0.0367","","","0.1016","0.1026","","","","","","1.041","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021205","8.0223","0.0005","13.6901","0.001","13.3346","0.001","90","","101.557","0.007","90","","1434.8","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒4-methylbenzoic acid (1/1)","","- C14 H16 Cl N3 O2 -","- C14 H16 Cl N3 O2 -","- C56 H64 Cl4 N12 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0593","0.0472","","","0.1256","0.14","","","","","","1.037","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021206","7.8899","0.0002","13.2361","0.0003","13.3212","0.0003","90","","101.254","0.002","90","","1364.4","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Amino-5-chloro-2,6-dimethylpyrimidine‒4-aminobenzoic acid (1/1)","","- C13 H15 Cl N4 O2 -","- C13 H15 Cl N4 O2 -","- C52 H60 Cl4 N16 O8 -","4","1","SK3691","Rajam, Ammaiyappan; Muthiah, Packianathan Thomas; Butcher, Raymond John; Jasinski, Jerry P.; Wikaira, Jan","Design of two series of 1:1 cocrystals involving 4-amino-5-chloro-2,6-dimethylpyrimidine and carboxylic acids","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618009154","","","1.54184","CuKα","","0.0368","0.0362","","","0.0968","0.0974","","","","","","1.037","","","","has coordinates,has Fobs","209667","2020-10-21","18:00:00",""
"2021208","18.889","0.018","20.431","0.017","13.36","0.012","90","","110.73","0.03","90","","4822","8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[[bis[μ~6~-4-(4-carboxylatophenoxy)benzene-1,3-dicarboxylato-κ^6^O^1^:O^1^:O^3^:O^3'^:O^4^:O^4'^]bis(1,10-phenanthroline-κ^2^N^,N')tricobalt(II)] 0.72-hydrate]","","- C54 H31.42 Co3 N4 O14.71 -","- C54 H31.444 Co3 N4 O14.722 -","- C216 H125.776 Co12 N16 O58.888 -","4","0.5","KY3146","Li, Shao-Dong; Lu, Li-Ping; Zhu, Miao-Li","A thermally stable three-dimensional cobalt(II) coordination polymer based on the V-shaped ligand 4-(4-carboxyphenoxy)isophthalate","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011567","","","0.71073","MoKα","","0.0674","0.052","","","0.1471","0.1576","","","","","","1.062","","","","has coordinates,has Fobs","210054","2020-10-21","18:00:00",""
"2021209","9.2201","0.0004","9.3675","0.0003","24.2874","0.0009","96.303","0.002","97.731","0.002","97.049","0.002","2045.83","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Bis(tetrapropylammonium) 4,4'-sulfonyldibenzoate dihydrate","","- C38 H66 N2 O7 S -","- C38 H66 N2 O7 S -","- C76 H132 N4 O14 S2 -","2","1","OV3113","Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia","Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011580","","","0.71073","MoKα","","0.0636","0.0497","","","0.1523","0.166","","","","","","1.099","","","","has coordinates,has Fobs","210055","2020-10-21","18:00:00",""
"2021210","25.184","0.002","11.2494","0.0009","15.9615","0.0011","90","","93.796","0.002","90","","4512.1","0.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Bis(tetrapropylammonium) 4,4'-sulfonyldibenzoate bis(boric acid)","","- C38 H70 B2 N2 O12 S -","- C38 H70 B2 N2 O12 S -","- C152 H280 B8 N8 O48 S4 -","4","1","OV3113","Wu, Xiangxiang; Zeng, Huahui; Yang, Yunxia","Composite host lattices of 4,4'-sulfonyldibenzoate water/boric acid in two tetrapropylammonium inclusion compounds","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011580","","","0.71073","MoKα","","0.0898","0.0498","","","0.1196","0.1444","","","","","","1.032","","","","has coordinates,has disorder,has Fobs","210055","2020-10-21","18:00:00",""
"2021211","6.7032","0.0004","8.1646","0.0005","15.1177","0.0009","81.099","0.002","79.555","0.002","67.488","0.002","748.34","0.08","120","2","120","","","","","","","","","4","P -1","-P 1","2","","N^1^,N^4^-Bis(2-nitrophenyl)butane-1,4-diamine","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C32 H36 N8 O8 -","2","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.0471","0.0432","","","0.1329","0.1376","","","","","","1.101","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021212","7.5749","0.0002","13.4138","0.0004","46.3793","0.0014","90","","90","","90","","4712.5","0.2","120","2","120","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N^1^-(2-Nitrophenyl)-N^2^,N^2^-bis[2-[(2-nitroanilino)ethyl]ethane-1,2-diamine","","- C24 H27 N7 O6 -","- C24 H27 N7 O6 -","- C192 H216 N56 O48 -","8","1","LY3073","Badour, Alec R.; Arnett-Butscher, Corey J.; Mohanty, Dillip K.; Squattrito, Philip J.; Lambright, Kelly J.; Kirschbaum, Kristin","Models for potential dendritic nitric oxide-donors: crystal structures of two 2-nitroanilino precursors and nitric oxide-release behavior of the nitrosated derivatives","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011737","","","1.54178","CuKα","","0.033","0.0314","","","0.078","0.0791","","","","","","1.063","","","","has coordinates,has Fobs","210219","2020-10-21","18:00:00",""
"2021213","9.0062","0.0005","9.0062","0.0005","23.1525","0.0012","90","","90","","120","","1626.34","0.15","296","2","296","2","","","","","","","","5","P 63/m","-P 6c","176","","Tridecasodium distrontium ditantalum nonaphosphate","","- Na13 O36 P9 Sr2 Ta2 -","- Na13 O36 P9 Sr2 Ta2 -","- Na26 O72 P18 Sr4 Ta4 -","2","0.166667","KY3148","Zhao, Ji; Zhao, Dan; Xue, Ya-Li; Zhong, Qiu; Zhang, Shi-Rui; Liu, Bao-Zhong","Novel tantalum phosphate Na~13~Sr~2~Ta~2~(PO~4~)~9~: synthesis, crystal structure, DFT calculations and Dy^3+^-activated fluorescence performance","Acta Crystallographica Section C","2018","74","9","","","10.1107/S2053229618011877","","","0.71073","MoKα","","0.0208","0.0185","","","0.0416","0.0424","","","","","","1.064","","","","has coordinates,has Fobs","210220","2020-10-21","18:00:00",""
"2021214","11.16","0.002","12.917","0.003","18.551","0.006","90","","119.79","0.02","90","","2320.8","1.1","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[[μ~2~-1,6-bis(pyridin-3-yl)-1,3,5-hexatriene-κ^2^N:N'](μ~3~-naphthalene-1,4-dicarboxylato-κ^4^O^1^,O^1'^:O^4^:O^4'^)zinc(II)]","","- C28 H20 N2 O4 Zn -","- C28 H20 N2 O4 Zn -","- C112 H80 N8 O16 Zn4 -","4","1","YP3161","Zhou, Qian-Kun; Wang, Lin; Xu, Yun; Li, Ni-Ya","Construction and photoluminescence properties of a three-dimensional Zn^II^ coordination network based on naphthalene-1,4-dicarboxylic acid and 1,6-bis(pyridin-3-yl)-1,3,5-hexatriene","Acta Crystallographica Section C","2018","74","9","1053","1057","10.1107/S2053229618012068","","","0.71073","MoKα","","0.1231","0.0578","","","0.0968","0.119","","","","","","1.025","","","","has coordinates,has Fobs","210288","2020-10-21","18:00:00",""
"2021215","6.9584","0.0002","6.9584","0.0002","18.8979","0.0006","90","","90","","90","","915.02","0.05","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","trans-Cyclohexane-1,4-dicarboxamide","","- C8 H14 N2 O2 -","- C8 H14 N2 O2 -","- C32 H56 N8 O8 -","4","0.5","LY3070","García-Reyes, Fernando; Fantoni, Adolfo C.; Barón, Máximo; Romano, Rosana M.; Punte, Graciela M.; Echeverría, Gustavo A.","Role of weak C—H···O and strong N—H···O intermolecular interactions on the high-symmetry molecular packing of trans-cyclohexane-1,4-dicarboxamide","Acta Crystallographica Section C","2018","74","10","1068","1078","10.1107/S2053229618011750","","","1.54184","CuKα","","0.0469","0.0442","","","","0.1295","","","","","","1.068","","","","has coordinates,has Fobs","211781","2020-10-21","18:00:00",""
"2021216","14.1301","0.0002","15.4385","0.0002","23.1563","0.0004","90","","98.9698","0.0015","90","","4989.71","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H49 As2 Mo6 N5 O30 -","- C30 H49 As2 Mo6 N5 O30 -","- C120 H196 As8 Mo24 N20 O120 -","4","1","QP3014","Harchani, Ali; Trzybiński, Damian; Pawledzio, Sylwia; Woźniak, Krzysztof; Haddad, Amor","The new heteropolyoxometalate compound (C~6~H~8~N)~5~[HAs~2~Mo~6~O~26~(H~2~O)]·3H~2~O: crystal structure and Hirshfeld surface analysis","Acta Crystallographica Section C","2018","74","10","1088","1093","10.1107/S2053229618012317","","","0.56087","AgKα","","0.0741","0.0435","","","0.0716","0.0795","","","","","","1.032","","","","has coordinates,has Fobs","211782","2020-10-21","18:00:00",""
"2021217","20.344","0.002","9.6384","0.0009","9.443","0.001","90","","101.06","0.003","90","","1817.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-N-(3,4-Dimethylisoxazol-5-yl)-4-[(2-hydroxybenzylidene)amino]benzenesulfonamide","","- C18 H17 N3 O4 S -","- C18 H17 N3 O4 S -","- C72 H68 N12 O16 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.1088","0.056","","","0.1128","0.1354","","","","","","1.073","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021218","13.6043","0.0011","12.2399","0.0007","12.9506","0.0009","90","","103.854","0.002","90","","2093.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(E)-4-[(5-Bromo-2-hydroxy-3-methoxybenzylidene)amino]-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide","","- C19 H18 Br N3 O5 S -","- C19 H18 Br N3 O5 S -","- C76 H72 Br4 N12 O20 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0888","0.0466","","","0.1051","0.1234","","","","","","1.016","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021219","13.297","0.002","15.095","0.003","6.4166","0.0013","90","","91.329","0.006","90","","1287.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(E)-4-Bromo-2-[(2-hydroxyphenylimino)methyl]-6-methoxyphenol","","- C14 H12 Br N O3 -","- C14 H12 Br N O3 -","- C56 H48 Br4 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0904","0.0394","","","0.0859","0.1023","","","","","","1.008","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021220","6.4158","0.0003","7.3886","0.0004","15.2636","0.0007","87.081","0.003","87.488","0.003","77.948","0.003","706.28","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","(E)-4-Bromo-2-methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C30 H28 Br2 N2 O6 -","2","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0663","0.0325","","","0.0622","0.0717","","","","","","1.021","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021221","23.689","0.002","7.6951","0.0007","7.3488","0.0007","90","","90","","90","","1339.6","0.2","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-2-Methoxy-6-[(2-methoxyphenylimino)methyl]phenol","","- C15 H15 N O3 -","- C15 H15 N O3 -","- C60 H60 N4 O12 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0593","0.037","","","0.0749","0.0841","","","","","","1.048","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021222","9.5004","0.0008","14.2911","0.0011","13.6497","0.0009","90","","97.524","0.002","90","","1837.3","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(E)-3-Benzoyl-2-[(5-fluoro-2-hydroxybenzylidene)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C88 H72 F4 N4 O8 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0943","0.0427","","","0.093","0.119","","","","","","1.02","","","","has coordinates,has disorder,has Fobs","211785","2020-10-21","18:00:00",""
"2021223","9.26395","0.00015","14.2886","0.0002","13.6476","0.0002","90","","96.7581","0.0015","90","","1793.97","0.05","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(E)-3-Benzoyl-2-[(2-hydroxybenzylidene)amino)]-4,5,6,7-tetrahydrobenzo[b]thiophene","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","1.54184","CuKα","","0.0458","0.0419","","","0.1151","0.1202","","","","","","1.045","","","","has coordinates,has disorder,has Fobs","211785","2020-10-21","18:00:00",""
"2021224","9.0479","0.0007","10.1564","0.0008","12.3659","0.001","69.677","0.006","89.94","0.006","77.004","0.006","1034.62","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-[(2-Hydroxyphenylimino)methyl]phenol","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C52 H44 N4 O8 -","4","2","FN3266","Girisha, Marisiddaiah; Sagar, Belakavadi K.; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Kaur, Manpreet; Jasinski, Jerry P.; Glidewell, Christopher","Eight Schiff bases derived from various salicylaldehydes: phenol‒imine and keto‒amine forms, conformational disorder, and supramolecular assembly in one and two dimensions","Acta Crystallographica Section C","2018","74","10","1094","1104","10.1107/S2053229618012287","","","0.71073","MoKα","","0.0614","0.0413","","","0.1012","0.1085","","","","","","1.039","","","","has coordinates,has Fobs","211785","2020-10-21","18:00:00",""
"2021226","6.934","0.0009","15.213","0.002","9.6882","0.0013","90","","105.496","0.005","90","","984.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","catena-Poly[[diaquacadmium(II)]-μ~3~-2,2'-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylato)]","","- C8 H7 Cd N2 O6 -","- C8 H7 Cd N2 O6 -","- C32 H28 Cd4 N8 O24 -","4","1","OV3115","Liu, Yan-Ju; Cheng, Di; Li, Ya-Xue; Zhang, Jun-Di; Yang, Huai-Xia","A new one-dimensional Cd^II^ coordination polymer incorporating 2,2'-(1,2-phenylene)bis(1H-imidazole-4,5-dicarboxylate)","Acta Crystallographica Section C","2018","74","10","1128","1132","10.1107/S2053229618012603","","","0.71073","MoKα","","0.0306","0.0272","","","0.0786","0.0804","","","","","","1.092","","","","has coordinates,has Fobs","211783","2020-10-21","18:00:00",""
"2021227","9.446","0.0019","14.885","0.003","15.91","0.003","104.676","0.005","106.554","0.005","104.43","0.006","1945.8","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","fac-Hexacarbonyl-1κ^3^C,2κ^3^C-(pyridine-1κN)[μ-2,2'-sulfanediyldi(ethanethiolato)-κ^5^1κ^2^S^1^,S^3^:2κ^3^S^1^,S^2^,S^3^]dirhenium(I)","","- C15 H13 N O6 Re2 S3 -","- C15 H13 N O6 Re2 S3 -","- C60 H52 N4 O24 Re8 S12 -","4","2","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71069","MoKα","","0.0378","0.0308","","","0.0842","0.0908","","","","","","1.027","","","","has coordinates,has Fobs","211784","2020-10-21","18:00:00",""
"2021228","12.712","0.0005","17.105","0.0006","18.144","0.001","90","","91.47","0.002","90","","3943.9","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Tetraethylammonium fac-tris(μ-2-methoxybenzenethiolato-κ^2^S:S)bis[tricarbonylrhenium(I)]","","- C35 H41 N O9 Re2 S3 -","- C35 H41 N O9 Re2 S3 -","- C140 H164 N4 O36 Re8 S12 -","4","1","YP3163","Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie","Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms","Acta Crystallographica Section C","2018","74","10","1116","1122","10.1107/S205322961801207X","","","0.71073","MoKα","","0.0435","0.0328","","","0.0634","0.0682","","","","","","0.918","","","","has coordinates,has disorder,has Fobs","211784","2020-10-21","18:00:00",""
"2021229","8.0705","0.0018","12.588","0.003","19.096","0.004","79.209","0.005","86.351","0.005","73.384","0.005","1826","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^O,N,O')lanthanum","","- C42 H36 La N3 O6 -","- C42 H36 La N3 O6 -","- C84 H72 La2 N6 O12 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0787","0.0465","","","0.0829","0.0935","","","","","","0.964","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021230","11.1951","0.0006","14.8767","0.0008","15.1894","0.0008","69.758","0.001","74.797","0.001","69.502","0.001","2194.4","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato-κ^3^O^1^,N,O^2^)neodymium tetrahydrofuran disolvate","","- C50 H52 N3 Nd O8 -","- C50 H52 N3 Nd O8 -","- C100 H104 N6 Nd2 O16 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0331","0.0269","","","0.0617","0.0638","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211788","2020-10-21","18:00:00",""
"2021231","12.1048","0.001","17.5475","0.0014","18.7959","0.0015","114.881","0.001","91.885","0.002","99.171","0.001","3553.2","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tris(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-κ^3^O^1^,N,O^2^;κ^3^O^1^,N,O^2^;κ^2^N,O^1^-yttrium","","- C42 H36 N3 O6 Y -","- C42 H36 N3 O6 Y -","- C168 H144 N12 O24 Y4 -","4","2","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0995","0.0602","","","0.1351","0.1497","","","","","","1.046","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021232","18.7839","0.0014","13.3371","0.0009","20.1422","0.0014","90","","107.107","0.001","90","","4822.8","0.6","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichlorido-1κCl,2κCl-μ-methanolato-1:2κ^2^O:O-methanol-2κO-(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^O^1^,N,O^2^:2κO^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato)-1κ^3^O^1^,N,O^2^;2κ^3^O^1^,N,O^2^-diyttrium‒tetrahydrofuran‒methanol (1/1/1)","","- C49 H55 Cl2 N3 O10 Y2 -","- C49 H55 Cl2 N3 O10 Y2 -","- C196 H220 Cl8 N12 O40 Y8 -","4","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0974","0.0435","","","0.0895","0.1077","","","","","","1","","","","has coordinates,has Fobs","211788","2020-10-21","18:00:00",""
"2021233","14.542","0.003","15.366","0.003","15.487","0.003","108.34","0.03","106.19","0.03","108.77","0.03","2818.3","1.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","Bis(μ-2-{[(2-methoxyphenyl)imino]methyl}phenolato-1κ^3^O^1^,N,O^2^:2κO^1^)bis(2-{[(2-methoxyphenyl)imino]methyl}phenolato-2κ^3^O^1^,N,O^2^)sodiumyttrium chloroform disolvate","","- C58 H50 Cl6 N4 Na O8 Y -","- C58 H50 Cl6 N4 Na O8 Y -","- C116 H100 Cl12 N8 Na2 O16 Y2 -","2","1","","Roitershtein, Dmitrii M.; Minashina, Kseniya I.; Minyaev, Mikhail E.; Ananyev, Ivan V.; Lyssenko, Konstantin A.; Tavtorkin, Alexander N.; Nifant'ev, Ilya E.","Different coordination modes of trans-2-{[(2-methoxyphenyl)imino]methyl}phenoxide in rare-earth complexes: influence of the metal cation radius and the number of ligands on steric congestion and ligand coordination modes","Acta Crystallographica Section C","2018","74","10","1105","1115","10.1107/S2053229618012421","","","0.71073","MoKα","","0.0819","0.0614","","","0.1615","0.1746","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211788","2020-10-21","18:00:00",""
"2021234","7.844","0.005","20.558","0.013","17.168","0.012","90","","90.93","0.02","90","","2768","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[(μ~2~-biphenyl-4,4'-diyldicarboxylato-κ^2^O^4^:O^4'^){μ~2~-bis[4-(2-methyl-1H-imidazol-1-yl)phenyl] ether-κ^2^N^3^:N^3'^}cobalt(II)]","","- C34 H26 Co N4 O5 -","- C34 H26 Co N4 O5 -","- C136 H104 Co4 N16 O20 -","4","1","QS3075","Chen, Ning-Ning; Ni, Jian-Ling; Wang, Jun","A new two-dimensional Co^II^ coordination polymer based on bis[4-(2-methyl-1H-imidazol-1-yl)phenyl] ether and biphenyl-4,4'-diyldicarboxylic acid: synthesis, crystal structure and photocatalytic degradation activity","Acta Crystallographica Section C","2018","74","10","1123","1127","10.1107/S2053229618012433","","","0.71073","MoKα","","0.0509","0.0384","","","0.0921","0.098","","","","","","1.072","","","","has coordinates,has Fobs","211791","2020-10-21","18:00:00",""
"2021235","12.8902","0.0008","21.9049","0.0013","8.8786","0.0005","90","","109.699","0.003","90","","2360.2","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-pbc)(HCOO)]~n~","Poly[(μ~2~-formato-κ^3^O,O':O)[μ~2~-4-(pyridin-4-yl)benzoato-κ^3^N:O,O']zinc(II)]","","- C13 H9 N O4 Zn -","- C13 H9 N O4 Zn -","- C104 H72 N8 O32 Zn8 -","8","2","SK3707","Luo, Fuming; Tang, Guodong; Zhang, Jinfang","A new Zn^II^ coordination polymer based on 4-(pyridin-4-yl)benzoic and formic acids: in-situ synthesis, crystal structure and luminescence properties","Acta Crystallographica Section C","2018","74","10","1133","1137","10.1107/S205322961801269X","","","0.71073","MoKα","","0.052","0.0327","","","0.0839","0.0942","","","","","","1.062","","","","has coordinates,has Fobs","211789","2020-10-21","18:00:00",""
"2021236","5.5965","0.0008","10.7222","0.0017","15.71","0.003","90","","98.796","0.009","90","","931.6","0.3","299","1","299","1","","","","","","","","6","P 1 21 1","P 2yb","4","Disodium guanosine 5'-monophosphate tetrahydrate","","","- C10 H20 N5 Na2 O12 P -","- C10 H19 N5 Na2 O12 P -","- C20 H38 N10 Na4 O24 P2 -","2","1","UK3159","Tsubonoya, Masaaki; Murofushi, Akitaka; Yamamura, Shigefumi; Sugawara, Yoko","Crystal structure and sequential dehydration transitions of disodium guanosine 5'-monophosphate tetrahydrate","Acta Crystallographica Section C","2018","74","10","1153","1159","10.1107/S2053229618012639","","","0.7107","MoKα","","0.036","0.033","","","0.068","0.0711","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","211786","2020-10-21","18:00:00",""
"2021237","14.594","0.0009","14.594","0.0009","8.5522","0.0006","90","","90","","120","","1577.46","0.18","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","Hydrogen hexakis(μ-hydrogen phosphato)digermaniumtrirubidium","","- Ge2 H7 O24 P6 Rb3 -","- Ge2 H6 O24 P6 Rb3 -","- Ge6 H18 O72 P18 Rb9 -","3","0.166667","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0345","0.0308","","","0.0826","0.0852","","","","","","1.143","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021238","8.3453","0.0018","9.642","0.002","9.739","0.002","89.762","0.007","83.744","0.007","88.946","0.007","778.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Caesium bis(μ-hydrogen phosphato)(μ-hydroxido)germanium","","- Cs Ge H3 O9 P2 -","- Cs Ge H3 O9 P2 -","- Cs4 Ge4 H12 O36 P8 -","4","2","LY3074","Song, Jun-Ling; Lu, Wen-Xiu; Guo, Tian-Shuo; Zhou, Yu-Hua","Syntheses, crystal structures and optical properties of two one-dimensional germanophosphates: HRb~3~Ge~2~(HPO~4~)~6~ and CsGe(HPO~4~)~2~(OH)","Acta Crystallographica Section C","2018","74","10","1146","1152","10.1107/S2053229618012792","","","0.71073","MoKα","","0.0191","0.0175","","","0.0398","0.0409","","","","","","1.132","","","","has coordinates,has Fobs","211787","2020-10-21","18:00:00",""
"2021239","7.8332","0.0018","10.401","0.002","12.166","0.003","76.05","0.02","84.86","0.02","79.63","0.02","945.1","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Ethyl 4-[(4-chlorobenzyl)sulfanyl]-6-methyl-2-phenylpyrimidine-5-carboxylate","","- C21 H19 Cl N2 O2 S -","- C21 H19 Cl N2 O2 S -","- C42 H38 Cl2 N4 O4 S2 -","2","1","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.0557","0.0511","","","0.1352","0.1431","","","","","","1.025","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021240","4.6074","0.0012","22.882","0.008","31.816","0.012","90","","92.41","0.05","90","","3351.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{4-[(4-Chlorobenzyl)sulfanyl]-6-methyl-2-phenylpyrimidin-5-yl}methanol","","- C19 H17 Cl N2 O S -","- C19 H17 Cl N2 O S -","- C152 H136 Cl8 N16 O8 S8 -","8","2","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.1052","0.0638","","","0.106","0.1202","","","","","","1.038","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021241","14.4729","0.0008","11.4849","0.0005","10.3302","0.0006","90","","104.605","0.005","90","","1661.6","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(4-Chlorobenzyl)sulfanyl]-5,6-dimethyl-2-phenylpyrimidine","","- C19 H17 Cl N2 S -","- C19 H17 Cl N2 S -","- C76 H68 Cl4 N8 S4 -","4","1","SK3706","Stolarczyk, Marcin; Bryndal, Iwona; Matera-Witkiewicz, Agnieszka; Lis, Tadeusz; Królewska-Golińska, Karolina; Cieślak, Marcin; Kaźmierczak-Barańska, Julia; Cieplik, Jerzy","Synthesis, crystal structure and cytotoxic activity of novel 5-methyl-4-thiopyrimidine derivatives","Acta Crystallographica Section C","2018","74","10","1138","1145","10.1107/S2053229618012706","","","0.71073","MoKα","","0.0722","0.0591","","","0.1538","0.1626","","","","","","1.025","","","","has coordinates,has Fobs","211790","2020-10-21","18:00:00",""
"2021242","8.6718","0.0005","23.5083","0.0012","14.3939","0.0009","90","","102.962","0.002","90","","2859.6","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(3E,5E)-1-(4-Fluorobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one dichloromethane monosolvate","","- C29 H23 Cl2 F6 N O3 S -","- C29 H23 Cl2 F6 N O3 S -","- C116 H92 Cl8 F24 N4 O12 S4 -","4","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-N-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0744","0.0468","","","0.108","0.1257","","","","","","1.042","","","","has coordinates,has disorder,has Fobs","211227","2020-10-21","18:00:00",""
"2021243","8.5664","0.0006","10.0932","0.0008","14.3871","0.0012","90.59","0.004","98.592","0.004","97.309","0.004","1219.44","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(3E,5E)-1-(4-Fluorobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one","","- C27 H18 F7 N O3 S -","- C27 H18 F7 N O3 S -","- C54 H36 F14 N2 O6 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-N-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0913","0.0501","","","0.1104","0.1292","","","","","","1.011","","","","has coordinates,has disorder,has Fobs","211227","2020-10-21","18:00:00",""
"2021244","7.4346","0.0007","11.6714","0.0011","14.6479","0.0015","90.825","0.005","96.884","0.005","98.971","0.005","1245.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","(3E,5E)-1-(4-Nitrobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one","","- C27 H18 F6 N2 O5 S -","- C27 H18 F6 N2 O5 S -","- C54 H36 F12 N4 O10 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-N-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0871","0.0505","","","0.1111","0.129","","","","","","1.032","","","","has coordinates,has Fobs","211227","2020-10-21","18:00:00",""
"2021245","9.7338","0.0006","12.4558","0.0009","12.6397","0.0009","70.586","0.003","88.379","0.004","81.726","0.003","1429.97","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","(3E,5E)-1-(4-Cyanobenzenesulfonyl)-3,5-bis[4-(trifluoromethyl)benzylidene]piperidin-4-one dichloromethane monosolvate","","- C29 H20 Cl2 F6 N2 O3 S -","- C29 H20 Cl2 F6 N2 O3 S -","- C58 H40 Cl4 F12 N4 O6 S2 -","2","1","SK3698","Li, Ning; Bai, Xianyong; Zhang, Lianshuang; Hou, Yun","Synthesis, crystal structures and anti-inflammatory activity of four 3,5-bis(arylidene)-N-benzenesulfonyl-4-piperidone derivatives","Acta Crystallographica Section C","2018","74","10","1171","1179","10.1107/S2053229618013232","","","0.71073","MoKα","","0.0804","0.0456","","","0.095","0.1092","","","","","","1.005","","","","has coordinates,has Fobs","211227","2020-10-21","18:00:00",""
"2021247","23.073","0.004","12.9877","0.0019","34.994","0.005","90","","105.158","0.003","90","","10122","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Hexa-μ-isopropanolato-hexaisopropanolatodi-μ~3~-oxido-hexa-μ~3~-\ phenylphosphonato-heptatitanium tetrahydrate","","- C72 H122 O36 P6 Ti7 -","- C72 H112 O32 P6 Ti7 -","- C288 H448 O128 P24 Ti28 -","4","0.5","JR3016","Gao, Mei-Yan; Liu, Xiao-Xue; Fang, Wei-Hui; Zhang, Lei; Zhang, Jian","Synthesis and structural characterization of a dumbbell-like phenylphosphonate-stabilized Ti~7~‒oxide cluster","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010707","","","0.71073","MoKα","","0.0764","0.0673","","","0.2199","0.2347","","","","","","0.936","","","","has coordinates,has Fobs","211487","2020-10-21","18:00:00",""
"2021248","15.2871","0.0002","25.654","0.0003","24.9018","0.0004","90","","90.321","0.001","90","","9765.7","0.2","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H147 Mn Mo6 N6 O24 -","- C88 H147 Mn Mo6 N6 O24 -","- C352 H588 Mn4 Mo24 N24 O96 -","4","1","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.0616","0.0455","","","0.0916","0.1062","","","","","","0.616","","","","has coordinates","211488","2020-10-21","18:00:00",""
"2021249","37.884","0.006","13.9437","0.0009","25.336","0.003","90","","128.39","0.02","90","","10490","4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C88 H154 Mn Mo6 N5 O25 -","- C88 H140.508 Mn Mo6 N5 O25 -","- C352 H562.032 Mn4 Mo24 N20 O100 -","4","0.5","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.2078","0.0926","","","0.2269","0.3084","","","","","","0.987","","","","has coordinates,has disorder","211488","2020-10-21","18:00:00",""
"2021250","37.431","0.004","13.1303","0.0004","25.288","0.002","90","","127.639","0.015","90","","9842","2","151","2","151","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H150 Mn Mo6 N5 O25 -","- C84.5 H140 Mn Mo6 N5 O24 -","- C338 H560 Mn4 Mo24 N20 O96 -","4","0.5","JR3019","Fura, Gizaw D.; Long, Yong; Yan, Jun; Chen, Wei; Lin, Chang-Gen; Song, Yu-Fei","Synthesis, structural characterization and fluorescence enhancement of chromophore-modified polyoxometalates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009361","","","0.71073","MoKα","","0.1209","0.0672","","","0.1666","0.2039","","","","","","0.993","","","","has coordinates,has Fobs","211488","2020-10-21","18:00:00",""
"2021251","29.7184","0.0017","29.7184","0.0017","29.7184","0.0017","90","","90","","90","","26247","3","296","2","296.11","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Dodecakis(dimethylammonium) octakis(μ-benzene-1,3,5-tricarboxylato)hexa-μ-chlorido-tetracosa-μ-oxido-triacontaoxidotriacontavanadium","","- C96 H120 Cl6 N12 O102 V30 -","- C72 H24 Cl6 O102 V30 -","- C288 H96 Cl24 O408 V120 -","4","0.0208333","JR3007","Gong, Ya-Ru; Su, Zhong-Min; Wang, Xin-Long","A polyoxometalate-based metal‒organic polyhedron constructed from a {V5O9Cl} building unit with rhombicuboctahedral geometry","Acta Crystallographica Section C Structural Chemistry","2018","74","11","","","10.1107/S2053229618010689","","","0.71073","MoKα","","0.0349","0.0275","","","0.0738","0.0798","","","","","","1.082","","","","has coordinates,has Fobs","211489","2020-10-21","18:00:00",""
"2021252","16.0955","0.001","12.9013","0.0008","19.2456","0.0012","90","","101.664","0.001","90","","3913.9","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(enH)~2~[{Cu(2,2'-bipy)(en)}~2~(μ~4~-H~3~BiW~18~O~60~)], 5.5H~2~O","","- C28 H64 Bi Cu2 N12 O65.5 W18 -","- C28 H53.9996 Bi Cu2 N12 O62 W18 -","- C56 H107.999 Bi2 Cu4 N24 O124 W36 -","2","0.5","JR3009","He, Shuai; Xin, Ying; Li, Jiansheng; Zhu, Zaiming; Zhao, Peng; You, Wansheng","A novel two-dimensional layered Cu^2+^ complex based on Dawson-like [H~3~BiW~18~O~60~]^6{-^}: synthesis, structure and magnetic properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961800935X","","","0.71073","MoKα","","0.0562","0.0355","","","0.0682","0.0741","","","","","","1.023","","","","has coordinates,has disorder","211490","2020-10-21","18:00:00",""
"2021253","10.6516","0.0005","12.7532","0.0006","13.073","0.0005","113.771","0.001","90.443","0.001","112.502","0.001","1473.65","0.11","100","","100","","","","","","","","","5","P -1","-P 1","2","sodium-copper(II) paratungstateB","","","- Cu3 H44 Na4 O68 W12 -","- Cu3 H44 Na4 O68 W12 -","- Cu3 H44 Na4 O68 W12 -","1","0.5","JR3015","Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette","Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010021","","x-ray","0.71073","MoKα","","0.0394","0.0352","","","0.0948","0.0983","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211491","2020-10-21","18:00:00",""
"2021254","12.3758","0.0006","14.7752","0.0007","18.8919","0.0008","92.9341","0.0014","100.694","0.0014","94.1698","0.0015","3378.1","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","sodium-iron(II) pararungstateB","","","- Fe2.5 H62 Na5 O78 W12 -","- Fe2.5 H68 Na5 O78 W12 -","- Fe5 H136 Na10 O156 W24 -","2","1","JR3015","Gumerova, Nadiia I.; Dobrov, Anatolie; Roller, Alexander; Rompel, Annette","Iron(II) and copper(II) paratungstates B: a single-crystal X-ray diffraction study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618010021","","x-ray","0.71073","MoKα","","0.0262","0.0224","","","0.0566","0.0583","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","211491","2020-10-21","18:00:00",""
"2021255","32.303","0.004","25.546","0.003","13.561","0.002","90","","110.885","0.006","90","","10455","2","93","","93","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diammonium tris(4-ethylpyridine)hexaformatooxidotrichromium α-silicododecatungstate","","- C54 H80 Cr6 N8 O69 Si W12 -","- C54 Cr6 N8 O69 Si W12 -","- C216 Cr24 N32 O276 Si4 W48 -","4","0.5","JR3010","Miyazawa, Satoru; Hosono, Reina; Osuga, Ryota; Kondo, Junko Nomura; Uchida, Sayaka","Effect of the ammonium ion on proton conduction in porous ionic crystals based on Keggin-type silicododecatungstate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008227","","","0.71075","MoKα","","0.0686","0.0577","","","0.1558","0.175","","","","","","1.111","","","","has coordinates,has Fobs","211519","2020-10-21","18:00:00",""
"2021256","22.5605","0.0013","11.4578","0.0006","32.7134","0.0013","90","","95.172","0.004","90","","8421.8","0.7","293","2","293","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","Hexahydride tetrapotassium hexadecasodium (germanodecatungstato)(phosphononatungstato)tetrazirconate heptatriacontahydrate","","- Ge2 H80 K4 Na16 O181 P2 W38 Zr4 -","- Ge2 K4 Na16 O181 P2 W38 Zr4 -","- Ge4 K8 Na32 O362 P4 W76 Zr8 -","2","0.5","JR3002","Zhang, Zhong; Wang, Yue-Lin; Yang, Guo-Yu","An unprecedented Zr-containing polyoxometalate tetramer with mixed trilacunary/dilacunary Keggin-type polyoxotungstate units","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618006538","","","0.71073","MoKα","","0.1143","0.0829","","","0.1877","0.2054","","","","","","1.038","","","","has coordinates,has Fobs","211520","2020-10-21","18:00:00",""
"2021257","26.3672","0.0011","13.0801","0.0005","20.6502","0.0008","90","","90","","90","","7122","0.5","83","2","83","2","","","","","","","","5","P n a 21","P 2c -2n","33","","Pentakis(tetraethylammonium) azidododecavanadate nitromethane monosolvate","","- C41 H103 N9 O34 V12 -","- C41 H103 N9 O34 V12 -","- C164 H412 N36 O136 V48 -","4","1","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.7107","MoKα","","0.04","0.0368","","","0.0854","0.0882","","","","","","1.122","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021258","19.272","0.003","24.785","0.003","14.552","0.004","90","","116.387","0.015","90","","6227","2","83","2","83","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium azidotetradecavanadate dimethyl sulfoxide hexasolvate","","- C12 H64 N10 O44 S6 V14 -","- C12 H64 N10 O44 S6 V14 -","- C48 H256 N40 O176 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.71075","MoKα","","0.0408","0.0361","","","0.0925","0.0977","","","","","","1.086","","","","has coordinates,has Fobs","211521","2020-10-21","18:00:00",""
"2021259","19.352","0.006","24.753","0.006","14.561","0.005","90","","116.537","0.006","90","","6240","3","83","2","83","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium cyanatotetradecavanadate dimethyl sulfoxide hexasolvate","","- C13 H64 N8 O45 S6 V14 -","- C13 H64 N8 O45 S6 V14 -","- C52 H256 N32 O180 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","0.71075","MoKα","","0.0606","0.0516","","","0.1353","0.1456","","","","","","1.064","","","","has coordinates,has Fobs","211521","2020-10-21","18:00:00",""
"2021260","19.3923","0.0007","24.9031","0.0009","14.5785","0.0005","90","","116.374","0.001","90","","6307.6","0.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Heptaammonium nitratotetradecavanadate dimethyl sulfoxide hexasolvate","","- C12 H64 N8 O47 S6 V14 -","- C12 H64 N8 O47 S6 V14 -","- C48 H256 N32 O188 S24 V56 -","4","0.5","JR3005","Kuwajima, Sho; Arai, Yuta; Kitajima, Hiromasa; Kikukawa, Yuji; Hayashi, Yoshihito","Synthesis and structural characterization of tube-type tetradecavanadates","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618008914","","","1.54178","CuKα","","0.0577","0.0522","","","0.1327","0.1376","","","","","","1.073","","","","has coordinates,has disorder,has Fobs","211521","2020-10-21","18:00:00",""
"2021261","20.3334","0.0003","20.3334","0.0003","18.7836","0.0003","90","","90","","120","","6725.58","0.18","130","0.1","130","0.1","","","","","","","","8","R 3","R 3","146","","Sodium tris[triaqua(μ-1,10-phenanthroline-2,9-dicarboxylato)dysprosium(III)] silicododecatungstate dodecahydrate","","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C42 H18 Dy3 N6 Na O73.5 Si W12 -","- C126 H54 Dy9 N18 Na3 O220.5 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","x-ray","1.54184","CuKα","","0.0356","0.0355","","","0.0975","0.0976","","","","","","1.022","","","","has coordinates","211522","2020-10-21","18:00:00",""
"2021262","18.119","0.003","18.119","0.003","21.078","0.003","90","","90","","120","","5992.8","1.6","100","2","100","2","","","","","","","","8","R 3","R 3","146","","Sodium aqua tris[tetraaqua(μ-4-hydroxypyridine-2,6-dicarboxylato)praseodymium(III)] silicododecatungstate dodecahydrate","","- C21 H53 N3 Na O80 Pr3 Si W12 -","- C21 H53.0016 N3 Na O79.9999 Pr3 Si W12 -","- C63 H159.005 N9 Na3 O240 Pr9 Si3 W36 -","3","","JR3020","Derakhshanrad, Shadi; Mirzaei, Masoud; Najafi, Atefeh; Ritchie, Chris; Bauzá, Antonio; Frontera, Antonio; Mague, Joel T.","Surface-grafted lanthanoid complexes of the tungstosilicate polyanion [SiW~12~O~40~]^4{-^}: a synthetic, structural and computational investigation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618009580","","","0.71073","MoKα","","0.0357","0.0304","","","0.0645","0.0652","","","","","","1.004","","","","has coordinates,has disorder,has Fobs","211522","2020-10-21","18:00:00",""
"2021263","15.1172","0.001","15.1172","0.001","28.034","0.004","90","","90","","120","","5548.3","0.9","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0412","0.0339","","","0.0825","0.0851","","","","","","1.061","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021264","14.981","0.009","14.981","0.009","27.897","0.017","90","","90","","120","","5422","6","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']europium(III)]","","- C36 H25 Eu N6 O14 -","- C36 H25 Eu N6 O14 -","- C216 H150 Eu6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0523","0.0433","","","0.1057","0.1094","","","","","","1.041","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021265","14.9855","0.0008","14.9855","0.0008","27.949","0.003","90","","90","","120","","5435.5","0.7","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0566","0.0461","","","0.1222","0.1284","","","","","","1.094","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021266","14.9709","0.0018","14.9709","0.0018","27.952","0.003","90","","90","","120","","5425.5","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']gadolinium(III)]","","- C36 H25 Gd N6 O14 -","- C36 H25 Gd N6 O14 -","- C216 H150 Gd6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0916","0.0735","","","0.1591","0.1667","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021267","14.905","0.004","14.905","0.004","27.912","0.015","90","","90","","120","","5370","4","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0713","0.052","","","0.1272","0.1347","","","","","","1.066","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021268","14.9066","0.0018","14.9066","0.0018","27.948","0.003","90","","90","","120","","5378.2","1.1","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']dysprosium(III)]","","- C36 H25 Dy N6 O14 -","- C36 H25 Dy N6 O14 -","- C216 H150 Dy6 N36 O84 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0447","0.04","","","0.1067","0.1101","","","","","","1.054","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021269","14.9349","0.0017","14.9349","0.0017","27.969","0.003","90","","90","","120","","5402.7","1","296","2","296","2","","","","","","","","5","P 65","P 65","170","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0605","0.049","","","0.1234","0.1287","","","","","","1.058","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021270","14.962","0.002","14.962","0.002","27.974","0.005","90","","90","","120","","5423.3","1.4","296","2","296","2","","","","","","","","5","P 61","P 61","169","","Poly[diaquatris[μ~2~-3-nitro-4-(pyridin-4-yl)benzoato-κ^2^O:O']terbium(III)]","","- C36 H25 N6 O14 Tb -","- C36 H25 N6 O14 Tb -","- C216 H150 N36 O84 Tb6 -","6","1","LF3080","Qin, Tao; Feng, Zhe; Yang, Jie; Shen, Xuan; Zhu, Dunru","Unprecedented three-dimensional hydrogen-bonded hex topological chiral lanthanide‒organic frameworks built from an achiral ligand","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801313X","","","0.71073","MoKα","","0.0551","0.0477","","","0.1121","0.115","","","","","","1.047","","","","has coordinates,has disorder,has Fobs","211523","2020-10-21","18:00:00",""
"2021271","10.4179","0.0003","10.5225","0.0004","10.5988","0.0004","65.356","0.001","69.658","0.001","77.922","0.001","987.36","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","- C20 H28 Mo8 N8 O26 -","1","0.5","JR3004","Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin","Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012548","","","0.71073","MoKα","","0.024","0.021","","","0.0638","0.0668","","","","","","0.968","","","","has coordinates,has Fobs","211540","2020-10-21","18:00:00",""
"2021272","9.1173","0.0011","10.3631","0.0014","10.7022","0.0015","85.653","0.005","77.403","0.005","83.439","0.005","979","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H42 Mo6 N4 Ni O28 -","- C20 H42 Mo6 N4 Ni O28 -","- C20 H42 Mo6 N4 Ni O28 -","1","0.5","JR3004","Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin","Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012548","","","0.71073","MoKα","","0.0301","0.0213","","","0.0491","0.053","","","","","","1.028","","","","has coordinates,has Fobs","211540","2020-10-21","18:00:00",""
"2021273","11.385","0.003","14.121","0.003","15.126","0.004","69.259","0.003","82.422","0.004","88.086","0.004","2254.1","1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H68 Fe2 Mo12 N4 O76 P8 Sr2 -","- C26 H34 Fe2 Mo12 N4 O76 P8 Sr2 -","- C26 H34 Fe2 Mo12 N4 O76 P8 Sr2 -","1","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.0846","0.0568","","","0.1405","0.161","","","","","","1.046","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021274","21.317","0.007","18.533","0.006","22.838","0.008","90","","95.13","0.005","90","","8986","5","296","2","296","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C28 H70 Ca2 Fe2 Mo12 N4 Na O74 P8 -","- C28 H51 Ca2 Fe2 Mo12 N4 Na O74 P8 -","- C112 H204 Ca8 Fe8 Mo48 N16 Na4 O296 P32 -","4","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.0393","0.0382","","","0.1103","0.1112","","","","","","1.063","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021275","11.8121","0.0009","22.6484","0.0016","16.0089","0.0012","90","","98.701","0.001","90","","4233.5","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H68 Fe Mo12 N6 O70 P8 -","- C36 H68 Fe Mo12 N6 O70 P8 -","- C72 H136 Fe2 Mo24 N12 O140 P16 -","2","0.5","JR3018","Tian, Xuerui; Xin, Xing; Gao, Yuanzhe; Dai, Dandan; Huang, Jinjin; Han, Zhangang","Crystal structures of hybrid completely reduced phosphomolybdates and catalytic performance applied as molecular catalysts for the reduction of chromium(VI)","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013025","","","0.71073","MoKα","","0.021","0.0195","","","0.0493","0.0502","","","","","","1.074","","","","has coordinates,has Fobs","211541","2020-10-21","18:00:00",""
"2021276","9.101","0.0006","13.177","0.0007","13.328","0.0007","70.334","0.004","89.469","0.003","86.582","0.004","1502.34","0.15","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","(Z)-4-(4-Chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-1H-imidazol-5(4H)-one","","- C15 H17 Cl N4 O -","- C15 H17 Cl N4 O -","- C60 H68 Cl4 N16 O4 -","4","2","SK3709","Żesławska, Ewa; Nitek, Wojciech; Tejchman, Waldemar; Handzlik, Jadwiga","Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3H-imidazol-4(5H)-one","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013980","","","0.71073","MoKα","","0.0829","0.0507","","","0.1128","0.1275","","","","6.606","6.606","1.047","","","","has coordinates,has Fobs","211562","2020-10-21","18:00:00",""
"2021277","10.937","0.005","11.384","0.005","14.488","0.005","77.45","0.005","81.731","0.005","68.704","0.005","1636.3","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-[4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl]-1-methylpiperazin-1-ium 3-{5-[4-(diethylamino)benzylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propionate","","- C32 H37 Cl N6 O4 S2 -","- C32 H37 Cl N6 O4 S2 -","- C64 H74 Cl2 N12 O8 S4 -","2","1","SK3709","Żesławska, Ewa; Nitek, Wojciech; Tejchman, Waldemar; Handzlik, Jadwiga","Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3H-imidazol-4(5H)-one","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013980","","x-ray","0.71069","MoKα","","0.0797","0.0502","","","0.1194","0.1416","","","","","","1.043","","","","has coordinates,has Fobs","211562","2020-10-21","18:00:00",""
"2021278","16.1062","0.0017","26.512","0.003","45.569","0.005","90","","90","","90","","19458","4","100","","100","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C73 H152.95 Al Mo6 N5 O32.73 -","- C73 H152.952 Al Mo6 N5 O32.726 -","- C584 H1223.62 Al8 Mo48 N40 O261.808 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0766","0.0656","","","0.1392","0.1436","","","","","","1.238","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021279","21.8904","0.0006","23.9848","0.0006","37.719","0.001","90","","90","","90","","19803.9","0.9","200","","200","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C71 H150 Al Cl Mo6 N5 O36 -","- C71 H150 Al Cl Mo6 N5 O36 -","- C568 H1200 Al8 Cl8 Mo48 N40 O288 -","8","1","JR3025","Gumerova, Nadiia I.; Blazevic, Amir; Caldera Fraile, Tania; Roller, Alexander; Giester, Gerald; Rompel, Annette","Synthesis and characterization of hybrid Anderson hexamolybdoaluminates(III) functionalized with indometacin or cinnamic acid","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012536","","","0.71073","MoKα","","0.0367","0.029","","","0.0708","0.0754","","","","","","1.059","","","","has coordinates,has disorder,has Fobs","211614","2020-10-21","18:00:00",""
"2021280","7.3942","0.0002","7.3942","0.0002","17.4657","0.0004","90","","90","","120","","826.99","0.04","100","1","100","1","","","","","","","","5","P 32","P 32","145","Cytisinium bromide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bromide","","- C11 H15 Br N2 O -","- C11 H15 Br N2 O -","- C33 H45 Br3 N6 O3 -","3","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0334","0.0273","","","0.0451","0.0466","","","","","","0.996","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021281","7.522","0.0002","7.522","0.0002","18.5124","0.0004","90","","90","","120","","907.11","0.04","295","2","295","2","","","","","","","","5","P 32","P 32","145","Cytisinium iodide","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide","","- C11 H15 I N2 O -","- C11 H15 I N2 O -","- C33 H45 I3 N6 O3 -","3","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0461","0.0494","","","","","","1.054","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021282","6.8719","0.0003","18.8925","0.0011","19.1239","0.0014","90","","90","","90","","2482.8","0.3","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinium perchlorate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium perchlorate","","- C11 H15 Cl N2 O5 -","- C11 H15 Cl N2 O5 -","- C88 H120 Cl8 N16 O40 -","8","2","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.068","0.0506","","","0.1158","0.1258","","","","","","1.023","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021283","7.5105","0.0004","7.5353","0.0004","13.8994","0.0007","79.612","0.004","75.806","0.004","61.115","0.005","665.96","0.07","100","1","100","1","","","","","","","","5","P 1","P 1","1","Cytisinium iodide triiodide","Bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) iodide triiodide","","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","- C22 H30 I4 N4 O2 -","1","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0402","0.0336","","","0.0607","0.0631","","","","","","0.983","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021284","7.6327","0.0002","10.451","0.0002","7.6553","0.0002","90","","108.559","0.003","90","","578.9","0.03","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium chloride monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium chloride monohydrate","","- C11 H17 Cl N2 O2 -","- C11 H17 Cl N2 O2 -","- C22 H34 Cl2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0312","0.0286","","","0.0668","0.0682","","","","","","1.036","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021285","7.7268","0.0004","10.4304","0.0004","8.0655","0.0004","90","","108.341","0.005","90","","617.01","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinium iodide monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium iodide monohydrate","","- C11 H17 I N2 O2 -","- C11 H17 I N2 O2 -","- C22 H34 I2 N4 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0428","0.0366","","","0.0849","0.0871","","","","","","1.08","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021286","7.6216","0.0002","10.4582","0.0002","8.4325","0.0003","90","","113.071","0.004","90","","618.38","0.04","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","Cytisinium nitrate monohydrate","6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium nitrate monohydrate","","- C11 H17 N3 O5 -","- C11 H17 N3 O5 -","- C22 H34 N6 O10 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0269","0.0267","","","0.0742","0.0744","","","","","","1.085","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021287","10.78898","0.00014","7.84934","0.00011","14.37986","0.00017","90","","97.4435","0.0012","90","","1207.52","0.03","130","1","130","1","","","","","","","","5","P 1 21 1","P 2yb","4","Hydrogen dicytisinium tribromide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) tribromide","","- C22 H31 Br3 N4 O2 -","- C22 H31 Br3 N4 O2 -","- C44 H62 Br6 N8 O4 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0233","0.0233","","","0.0641","0.0641","","","","","","1.127","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021288","7.9767","0.0003","14.1131","0.0006","25.725","0.001","90","","90","","90","","2896","0.2","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide","Hydrogen bis(6-Oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide","","- C22 H31 I3 N4 O2 -","- C22 H31 I3 N4 O2 -","- C88 H124 I12 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0588","0.0478","","","0.1323","0.1399","","","","","","0.998","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021289","7.8269","0.0002","19.3211","0.0006","19.9592","0.0005","90","","90","","90","","3018.32","0.14","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium triiodide diiodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) triiodide diiodide","","- C22 H31 I5 N4 O2 -","- C22 H31 I5 N4 O2 -","- C88 H124 I20 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0351","0.0288","","","0.0501","0.0525","","","","","","1.027","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021290","7.8686","0.0002","19.4183","0.0005","21.855","0.0006","90","","90","","90","","3339.33","0.15","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Hydrogen dicytisinium bis(triodide) iodide","Hydrogen bis(6-oxo-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium) bis(triodide) iodide","","- C22 H31 I7 N4 O2 -","- C22 H31 I7 N4 O2 -","- C88 H124 I28 N16 O8 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.0606","0.0487","","","0.1283","0.1347","","","","","","1.109","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021291","8.0018","0.0013","11.7602","0.0016","16.421","0.002","90","","90","","90","","1545.3","0.4","130","1","130","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cytisinediium bis(perchlorate)","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^2,7^]trideca-2,4-dien-11-ium bis(perchlorate)","","- C11 H16 Cl2 N2 O9 -","- C11 H16 Cl2 N2 O9 -","- C44 H64 Cl8 N8 O36 -","4","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","1.54184","CuKα","","0.1127","0.0805","","","0.1903","0.2395","","","","","","1.248","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021292","7.3551","0.0003","16.5198","0.0005","7.4476","0.0003","90","","119.027","0.006","90","","791.25","0.07","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","Cytisinediium dichloride trihydrate","6-Oxidaniumylidene-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-ium dichloride trihydrate","","- C11 H22 Cl2 N2 O4 -","- C11 H22 Cl2 N2 O4 -","- C22 H44 Cl4 N4 O8 -","2","1","YF3149","Owczarzak, Agata; Przybył, Anna K.; Kubicki, Maciej","Different cationic forms of (‒)-cytisine in the crystal structures of its simple inorganic salts","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618012585","","x-ray","0.71073","MoKα","","0.0345","0.0296","","","0.0661","0.0684","","","","","","1.082","","","","has coordinates,has Fobs","211615","2020-10-21","18:00:00",""
"2021293","8.065","0.003","10.293","0.004","10.837","0.004","64.09","0.005","75.186","0.005","71.141","0.005","758.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","Poly[diaquabis(2,2'-biimidazole)hexa-μ~3~-oxo-octa-μ~2~-oxo-hexaoxodicopper(II)hexamolybdate(VI)]","","","- C12 H16 Cu2 Mo6 N8 O22 -","- C12 H16 Cu2 Mo6 N8 O22 -","- C12 H16 Cu2 Mo6 N8 O22 -","1","0.5","JR3022","Sang, Xiao-Jing; Feng, Shu-Li; Lu, Ying; Zhang, Yue-Xian; Su, Fang; Zhang, Lan-Cui; Zhu, Zai-Ming","A new hexamolybdate-based copper‒2,2'-biimidazole coordination polymer serving as an acid catalyst and support for enzyme immobilization","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013037","","","0.71073","MoKα","","0.0215","0.018","","","0.0409","0.0424","","","","","","1.06","","","","has coordinates,has Fobs","211616","2020-10-21","18:00:00",""
"2021294","11.594","0.004","15.198","0.005","15.292","0.005","80.195","0.003","87.94","0.004","75.052","0.004","2565.2","1.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^O,N,N',N'',O']terbium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate","","- C11 H31 Mo12 N7 O50 P Tb -","- C11 H31 Mo12 N7 O50 P Tb -","- C22 H62 Mo24 N14 O100 P2 Tb2 -","2","1","JR3003","Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan","Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618011853","","","0.71073","MoKα","","0.0382","0.0302","","","0.0781","0.0816","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","211617","2020-10-21","18:00:00",""
"2021295","11.566","0.003","15.218","0.003","15.257","0.003","80.092","0.003","87.602","0.003","75.013","0.002","2555.4","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","{Triaqua[2,6-diacetylpyridine bis(semicarbazone)-κ^5^O,N,N',N'',O']dysprosium(III)}-μ-oxido-[tricosa-μ~2~-oxido-dodecaoxido-μ~12~-phosphato-dodecamolybdenum(VI)] pentahydrate","","- C11 H31 Dy Mo12 N7 O50 P -","- C11 H31 Dy Mo12 N7 O50 P -","- C22 H62 Dy2 Mo24 N14 O100 P2 -","2","1","JR3003","Luo, Xi-Ming; Cui, Chen-Hui; Cao, Jia-Peng; Lin, Qing-Fang; Xu, Yan","Two new POM-based compounds modified by lanthanide‒Schiff base complexes with interesting NLO properties","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618011853","","","0.71073","MoKα","","0.0561","0.0393","","","0.1026","0.1109","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","211617","2020-10-21","18:00:00",""
"2021296","20.135","0.006","6.826","0.002","29.027","0.009","90","","100.759","0.014","90","","3919","2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(3-Methyl-3-phenylcyclobutyl)-2-[2-(3-methylbenzylidene)hydrazinyl]thiazole","","- C22 H23 N3 S -","- C22 H23 N3 S -","- C176 H184 N24 S8 -","8","1","FN3273","Karakurt, Tuncay","Investigation of the molecular structure of 4-(3-methyl-3-phenylcyclobutyl)-2-[2-(3-methylbenzylidene)hydrazinyl]thiazole in the gas and solid phases","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013475","","","0.71073","MoKα","","0.0679","0.0527","","","0.1293","0.1386","","","","","","1.073","","","","has coordinates,has Fobs","211618","2020-10-21","18:00:00",""
"2021297","21.1233","0.0004","6.4503","0.0002","33.9243","0.0009","90","","95.453","0.002","90","","4601.3","0.2","116","2","116","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-methylbenzenesulfonamido)propyl]piperidin-1-ium chloride","","- C22 H27 Cl F N3 O3 S -","- C22 H27 Cl F N3 O3 S -","- C176 H216 Cl8 F8 N24 O24 S8 -","8","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0636","0.0418","","","0.0936","0.1056","","","","","","1.024","","","","has coordinates,has disorder,has Fobs","211621","2020-10-21","18:00:00",""
"2021298","5.996","0.0001","41.1095","0.0005","10.4904","0.0002","90","","103.972","0.002","90","","2509.3","0.07","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[4-(5-fluoro-3-methylbenzo[b]thiophene-2-sulfonamido)butyl]piperidin-1-ium chloride","","- C25 H28 Cl F2 N3 O3 S2 -","- C25 H28 Cl F2 N3 O3 S2 -","- C100 H112 Cl4 F8 N12 O12 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0438","0.0378","","","0.0893","0.0936","","","","","","1.053","","","","has coordinates,has Fobs","211621","2020-10-21","18:00:00",""
"2021299","21.8891","0.0003","6.958","0.0001","17.7899","0.0002","90","","109.558","0.001","90","","2553.15","0.06","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[4-(6-fluorobenzo[b]thiophene-2-sulfonamido)butyl]piperidin-1-ium chloride","","- C24 H26 Cl2 F N3 O3 S2 -","- C24 H26 Cl2 F N3 O3 S2 -","- C96 H104 Cl8 F4 N12 O12 S8 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","1.54184","CuKα","","0.0314","0.0274","","","0.0681","0.0711","","","","","","1.031","","","","has coordinates,has disorder,has Fobs","211621","2020-10-21","18:00:00",""
"2021300","5.7077","0.0002","9.7798","0.0003","41.228","0.0011","90","","91.123","0.002","90","","2300.91","0.12","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","4-(6-Fluoro-1,2-benzoxazol-3-yl)-1-[3-(3-chloro-4-fluorobenzenesulfonamido)propyl]piperidin-1-ium chloride","","- C21 H23 Cl2 F2 N3 O3 S -","- C21 H23 Cl2 F2 N3 O3 S -","- C84 H92 Cl8 F8 N12 O12 S4 -","4","1","","Kalinowska-Tłuścik, Justyna; Piaskowska, Agata; Kołaczkowski, Marcin","Multifunctional arylsulfonamide derivatives with 5-HT~6~/5-HT~7~ receptor antagonistic activity: a structural study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013748","","","0.71073","MoKα","","0.0674","0.0431","","","0.0888","0.1004","","","","","","1.046","","","","has coordinates,has Fobs","211621","2020-10-21","18:00:00",""
"2021301","8.768","0.003","11.935","0.004","9.001","0.003","90","","113.623","0.009","90","","863","0.5","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.065","0.0493","","","0.1259","0.1305","","","","","","0.952","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021302","6.5581","0.0015","7.8144","0.0018","17.137","0.005","90","","90","","90","","878.2","0.4","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","4-[1-Hydroxy-2-(methylamino)ethyl]phenol","","- C9 H13 N O2 -","- C9 H13 N O2 -","- C36 H52 N4 O8 -","4","1","QF3019","Fujii, Isao","Crystal structures of racemic and enantiopure synephrine correlated with physicochemical properties from IR spectroscopy and thermal analysis","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014419","","x-ray","1.54178","CuKα","","0.0316","0.0282","","","0.081","0.098","","","","","","1.17","","","","has coordinates,has Fobs","211622","2020-10-21","18:00:00",""
"2021303","9.2072","0.0008","15.0256","0.0013","13.6139","0.0012","90","","106.177","0.005","90","","1808.8","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Poly[[tetraaquabis[μ~3~-(2R,2'R)-2,2'-(benzene-1,4-dicarboxamido)dipropionato-κ^5^O,O':O'',O''':O'']dicadmium(II)] trihydrate]","","- C28 H42 Cd2 N4 O19 -","- C28 H42 Cd2 N4 O19 -","- C56 H84 Cd4 N8 O38 -","2","1","SK3708","Zhang, Hong-Tao; Wang, Xiao-Long","A new twofold interpenetrated two-dimensional cadmium(II) coordination polymer constructed from 2,2'-(benzene-1,4-dicarboxamido)dipropionate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013967","","","0.71073","MoKα","","0.0483","0.0333","","","0.0585","0.0634","","","","","","1.004","","","","has coordinates,has Fobs","211623","2020-10-21","18:00:00",""
"2021304","24.775","0.004","5.5195","0.0007","8.1622","0.0013","90","","95.759","0.012","90","","1110.5","0.3","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (E)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.1381","0.0625","","","0.112","0.1364","","","","","","1.012","","","","has coordinates","211624","2020-10-21","18:00:00",""
"2021305","24.764","0.003","5.5162","0.0007","8.1487","0.0011","90","","95.705","0.012","90","","1107.6","0.2","283","2","283","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","(E)-(1-(biphenyl-4-yl)ethylidene)hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (E)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.206","0.0948","","","0.1173","0.1561","","","","","","1.002","","","","has coordinates","211625","2020-10-21","18:00:00",""
"2021306","24.74","0.002","5.5154","0.0006","8.1367","0.0008","90","","95.727","0.009","90","","1104.72","0.19","110","5","110","5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-[1-(Biphenyl-4-yl)ethylidene]hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","QP3015","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (E)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.0895","0.049","","","0.1098","0.1331","","","","","","0.985","","","","has coordinates,has Fobs","211626","2020-10-21","18:00:00",""
"2021307","24.8153","0.0019","5.5146","0.0004","8.1513","0.0009","90","","95.719","0.009","90","","1109.92","0.17","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-[1-(Biphenyl-4-yl)ethylidene]hydrazine","","- C14 H14 N2 -","- C14 H14 N2 -","- C56 H56 N8 -","4","1","QP3015","Tan, Xue-Jie; Zhao, Qing-Zhe; Li, Kun; Hu, Yong-Ji; Zhang, Jing-Chao","Order and disorder in (E)-[1-(biphenyl-4-yl)ethylidene]hydrazine: a structural, spectroscopic and theoretical study","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013773","","","0.71073","MoKα","","0.136","0.073","","","0.1855","0.2432","","","","","","1.003","","","","has coordinates,has disorder,has Fobs","211626","2020-10-21","18:00:00",""
"2021308","17.0498","0.0011","5.7778","0.0004","18.1012","0.0011","90","","117.359","0.0012","90","","1583.7","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tolnaftate","O-Naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate","","- C19 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","YP3169","Ho, Douglas M.; Zdilla, Michael J.","The solid-state conformation of the topical antifungal agent O-naphthalen-2-yl N-methyl-N-(3-methylphenyl)carbamothioate","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013591","","","0.71073","MoKα","","0.0533","0.0377","","","0.0852","0.0925","","","","","","1.039","","","","has coordinates,has Fobs","211627","2020-10-21","18:00:00",""
"2021309","10.5193","0.0003","12.2078","0.0004","8.8674","0.0003","90","","93.763","0.003","90","","1136.27","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-[(4-Iodophenyl)carbonyl]morpholine","","- C11 H12 I N O2 -","- C11 H12 I N O2 -","- C44 H48 I4 N4 O8 -","4","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0208","0.0173","","","0.0424","0.0437","","","","","","1.067","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021310","9.9577","0.0002","9.9577","0.0002","9.8213","0.0002","90","","90","","120","","843.37","0.03","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","4-[(4-Bromophenyl)carbonyl]morpholine","","- C11 H12 Br N O2 -","- C11 H12 Br N O2 -","- C33 H36 Br3 N3 O6 -","3","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0231","0.0226","","","0.0564","0.0565","","","","","","1.048","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021311","9.9808","0.0003","9.9808","0.0003","9.5853","0.0003","90","","90","","120","","826.93","0.04","100","0.1","100","0.1","","","","","","","","5","P 31","P 31","144","","4-[(4-Chlorophenyl)carbonyl]morpholine","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C33 H36 Cl3 N3 O6 -","3","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0302","0.028","","","0.0668","0.0676","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","211628","2020-10-21","18:00:00",""
"2021312","7.3584","0.0005","7.2979","0.0005","37.576","0.002","90","","90","","90","","2017.9","0.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-[(4-Fluorophenyl)carbonyl]morpholine","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C88 H96 F8 N8 O16 -","8","1","FN3272","Piontek, Aleksandra; Bisz, Elwira; Dziuk, Błażej; Szostak, Roman; Szostak, Michal","Structures and energetic properties of 4-halobenzamides","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013463","","","0.71073","MoKα","","0.0995","0.0459","","","0.0707","0.0852","","","","","","0.969","","","","has coordinates,has Fobs","211628","2020-10-21","18:00:00",""
"2021313","29.196","0.004","29.196","0.004","5.4212","0.001","90","","90","","120","","4002","1.1","298","2","298","2","","","","","","","","3","R -3 :H","-R 3","148","","2-Methyl-4-phenyl-1H-imidazole","","- C10 H10 N2 -","- C10 H10 N2 -","- C180 H180 N36 -","18","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies via X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1H-imidazoles of different electronic nature and their in vitro antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0863","0.0634","","","0.1823","0.2005","","","","","","1.102","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021314","10.4027","0.0015","18.093","0.002","11.1496","0.0016","90","","101.573","0.014","90","","2055.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Chlorophenyl)-2-methyl-1H-imidazole hemihydrate","","- C10 H10 Cl N2 O0.5 -","- C10 H10 Cl N2 O0.5 -","- C80 H80 Cl8 N16 O4 -","8","2","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies via X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1H-imidazoles of different electronic nature and their in vitro antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0887","0.0595","","","0.1619","0.183","","","","","","1.093","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021315","7.153","0.0011","7.4824","0.0014","21.437","0.003","90","","90","","90","","1147.3","0.3","298","2","298","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","4-(4-Methoxyphenyl)-2-methyl-1H-imidazole","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C44 H48 N8 O4 -","4","1","CU3134","Macías, Mario A.; Elejalde, Nerith-Rocio; Butassi, Estefanía; Zacchino, Susana; Portilla, Jaime","Studies via X-ray analysis on intermolecular interactions and energy frameworks based on the effects of substituents of three 4-aryl-2-methyl-1H-imidazoles of different electronic nature and their in vitro antifungal evaluation","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014109","","","0.71073","MoKα","","0.0965","0.0617","","","0.1619","0.1806","","","","","","1.056","","","","has coordinates,has Fobs","211629","2020-10-21","18:00:00",""
"2021316","11.1643","0.0011","3.8275","0.0004","17.2764","0.0016","90","","98.662","0.003","90","","729.82","0.12","130","","130","","","","","","","","","5","P 1 c 1","P -2yc","7","4-bromo-2-nitroaniline","4-Bromo-2-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","2","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of meta-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","MoKα","","0.062","0.041","","","0.0738","0.08","","","","","","1.02","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021317","4.4477","0.0002","11.4469","0.0004","13.8244","0.0005","90","","94.635","0.002","90","","701.53","0.05","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-bromo-6-nitroaniline","2-Bromo-6-nitroaniline","","- C6 H5 Br N2 O2 -","- C6 H5 Br N2 O2 -","- C24 H20 Br4 N8 O8 -","4","1","YP3165","Marek, Paulina H.; Urban, Mateusz; Madura, Izabela D.","The study of interactions with a halogen atom: influence of NH~2~ group insertion on the crystal structures of meta-bromonitrobenzene derivatives","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618013608","","","0.71073","Mo-Kα","","0.0335","0.023","","","0.0464","0.0504","","","","","","1.038","","","","has coordinates,has Fobs","211630","2020-10-21","18:00:00",""
"2021318","9.5158","0.0005","9.6393","0.0004","11.0824","0.0007","88.441","0.004","71.611","0.005","81.106","0.004","952.78","0.09","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Bis(μ-dicyanamido-κ^2^N^1^:N^5^)bis[(2,2'-biquinoline-κ^2^N,N')(dicyanamido-κN^1^)copper(II)]","","- C44 H24 Cu2 N16 -","- C44 H24 Cu2 N16 -","- C44 H24 Cu2 N16 -","1","0.5","OV3118","Potočňák, Ivan; Bukrynov, Oleksandr; Ráczová, Katarína; Čižmár, Erik; Vitushkina, Svitlana; Váhovská, Lucia; Dušek, Michal; Štarha, Pavel","Low-dimensional compounds containing cyanido groups. Part XXXV. Structure, spectral, thermal and magnetic properties of a binuclear Cu^II^‒biquinoline complex with bridging and terminal dicyanamide ligands","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801375X","","","0.71073","MoKα","","0.0404","0.0349","","","0.0909","0.0945","","","","","","1.08","","","","has coordinates,has Fobs","211631","2020-10-21","18:00:00",""
"2021319","11.1485","0.0012","10.8671","0.0012","13.2125","0.0014","90","","107.631","0.002","90","","1525.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis(μ~4~-benzene-1,4-dicarboxylato-κ^4^O^1^:O^1'^:O^4^:O^4^)bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^N,O,O',O'':κO}tricopper(II)]","","- C14 H18 Cu1.5 N O7 -","- C14 H18 Cu1.5 N O7 -","- C56 H72 Cu6 N4 O28 -","4","1","JX3020","Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai","Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014262","","","0.71073","MoKα","","0.0696","0.0374","","","0.084","0.0976","","","","","","1.009","","","","has coordinates,has Fobs","211679","2020-10-21","18:00:00",""
"2021320","16.0209","0.001","9.3823","0.0005","16.6801","0.0008","90","","99.563","0.004","90","","2472.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Poly[bis{μ~4~-4,4'-[1,4-phenylenebis(oxy)]dibenzoato-κ^4^O:O':O'':O''}bis{μ~2~-[bis(2-hydroxyethyl)amino]ethanolato-κ^4^N,O,O',O'':κO}tricopper(II)]","","- C52 H52 Cu3 N2 O18 -","- C52 H52 Cu3 N2 O18 -","- C104 H104 Cu6 N4 O36 -","2","0.5","JX3020","Sun, Guanghui; Xie, Weilian; Xiao, Hong; Xu, Guohai","Controlled interpenetration of 4^4^ networks: syntheses and structures of two Cu~3~-cluster coordination polymers","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014262","","","0.71073","MoKα","","0.0551","0.0363","","","0.0866","0.0949","","","","","","1.026","","","","has coordinates,has Fobs","219800","2020-10-21","18:00:00",""
"2021321","22.1764","0.0011","38.1422","0.0019","23.9668","0.0015","90","","114.657","0.007","90","","18424","2","129.97","0.1","129.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H88 B3 Ba9 Co3 N6 O155 W33 -","- C18 H12 B3 Ba8 Co3 N6 O154 W33 -","- C72 H48 B12 Ba32 Co12 N24 O616 W132 -","4","1","JR3023","Xu, Jingjing; Gable, Robert W.; Ritchie, Chris","Targeted synthesis of a polypyridyl polyoxometalate coordination complex using microwave-assisted reaction conditions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S205322961801183X","","x-ray","1.54184","CuKα","","0.1933","0.12","","","0.2947","0.3339","","","","","","0.881","","","","has coordinates,has disorder,has Fobs","211680","2020-10-21","18:00:00",""
"2021322","10.8018","0.0015","11.6708","0.0016","14.248","0.002","93.707","0.002","105.555","0.002","116.417","0.002","1514.1","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","cis-Dicarbonyldichloridobis[2-(4-methoxyphenyl)-1,8-naphthyridine-κN^8^]ruthenium(II)","","- C32 H24 Cl2 N4 O4 Ru -","- C32 H24 Cl2 N4 O4 Ru -","- C64 H48 Cl4 N8 O8 Ru2 -","2","1","LF3077","Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro","Ruthenium(II)‒carbonyl complexes containing two N-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014201","","","0.71073","MoKα","","0.0485","0.0376","","","0.0856","0.0925","","","","","","1.044","","","","has coordinates,has Fobs","211681","2020-10-21","18:00:00",""
"2021323","19.106","0.003","12.1967","0.0016","29.42","0.004","90","","94.918","0.002","90","","6830.5","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis-Dicarbonyldichloridobis[2-(2-methoxyphenyl)-1,8-naphthyridine-κN^8^]ruthenium(II)","","- C32 H24 Cl2 N4 O4 Ru -","- C32 H24 Cl2 N4 O4 Ru -","- C256 H192 Cl16 N32 O32 Ru8 -","8","1","LF3077","Guajardo, Juana; Ibañez, Andrés; Guerchais, Veronique; Vega, Andrés; Moya, Sergio; Aguirre, Pedro","Ruthenium(II)‒carbonyl complexes containing two N-monodentate 1,8-naphthyridine ligands: active catalysis in transfer hydrogenation reactions","Acta Crystallographica Section C","2018","74","11","","","10.1107/S2053229618014201","","","0.71073","MoKα","","0.0643","0.0417","","","0.0921","0.1031","","","","","","0.98","","","","has coordinates,has Fobs","211681","2020-10-21","18:00:00",""
"2021324","20.764","0.002","6.6904","0.0006","24.174","0.003","90","","97.1","0.01","90","","3332.5","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(E)-N-{2-[2-(Benzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C128 H136 N24 O24 S8 -","8","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five N-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.1202","0.078","","","0.1359","0.1523","","","","","","1.239","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021325","6.7308","0.0007","10.322","0.001","13.723","0.002","75.562","0.008","85.556","0.009","75.046","0.008","891.94","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-N-{2-[2-(4-Bromobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Br N3 O3 S -","- C16 H16 Br N3 O3 S -","- C32 H32 Br2 N6 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five N-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0801","0.0692","","","0.1929","0.2076","","","","","","1.095","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021326","6.7101","0.0006","10.359","0.001","13.5","0.001","76.049","0.008","85.846","0.009","74.823","0.008","878.9","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","(E)-N-{2-[2-(4-Chlorobenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C16 H16 Cl N3 O3 S -","- C16 H16 Cl N3 O3 S -","- C32 H32 Cl2 N6 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five N-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0512","0.0409","","","0.1022","0.1101","","","","","","1.029","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021327","6.931","0.001","11.076","0.002","12.935","0.003","87.37","0.02","81.44","0.02","74.42","0.02","945.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-(2-{2-[4-(Dimethylamino)benzylidene]hydrazinyl}-2-oxoethyl)-4-methylbenzene-sulfonamide","","- C18 H22 N4 O3 S -","- C18 H22 N4 O3 S -","- C36 H44 N8 O6 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five N-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.1799","0.0823","","","0.1219","0.146","","","","","","1.143","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021328","6.8887","0.0008","10.778","0.001","12.411","0.002","95.26","0.01","93.43","0.01","104.82","0.01","883.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-N-{2-[2-(4-Methoxybenzylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzenesulfonamide","","- C17 H19 N3 O4 S -","- C17 H19 N3 O4 S -","- C34 H38 N6 O8 S2 -","2","1","CU3132","Purandara, H.; Foro, Sabine; Thimme Gowda, B.","Comparison of the crystal structures and Hirshfeld surface analysis of five N-(4-methylbenzenesulfonyl)glycine hydrazone derivatives","Acta Crystallographica Section C","2018","74","11","1553","1560","10.1107/S2053229618014420","","","0.71073","MoKα","","0.0556","0.0403","","","0.1003","0.1108","","","","","","1.06","","","","has coordinates,has Fobs","211740","2020-10-21","18:00:00",""
"2021329","9.643","0.008","10.934","0.009","11.787","0.009","95.776","0.015","94.925","0.016","91.207","0.017","1231.4","1.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Poly[[[μ-1,3-bis(2-methyl-1H-imidazol-1-yl)benzene-κ^2^N:N'](μ-1,3-phenylenediacetato-κ^4^O,O':O'',O''')cadmium(II)] dihydrate]","","- C24 H26 Cd N4 O6 -","- C24 H26 Cd N4 O6 -","- C48 H52 Cd2 N8 O12 -","2","1","LF3078","Chen, Ning-Ning; Ni, Jian-Ning; Wang, Jun","A new two-dimensional Cd^II^ coordination polymer based on 1,3-bis(2-methyl-1H-imidazol-1-yl)benzene and 1,3-phenylenediacetic acid: synthesis, crystal structure and physical properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015061","","","0.71073","MoKα","","0.0738","0.0468","","","0.1041","0.1191","","","","","","0.964","","","","has coordinates,has Fobs","211884","2020-10-21","18:00:00",""
"2021330","11.9894","0.0003","13.6171","0.0004","14.3939","0.0004","89.467","0.0013","74.383","0.0012","68.125","0.0012","2089.34","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 13-ethyl-4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylate heptane hemisolvate","","- C25.5 H29 N O2 -","- C25.5 H29 N O3 -","- C102 H116 N4 O12 -","4","2","LG3226","Macías, Mario A.; Sanabria, Elkin E.; Acosta-Quintero, Lina M.; Palma, Alirio; Suescun, Leopoldo","Observation of an infrequent enantiomer/conformer substitutional disorder in ethyl 13-ethyl-4-oxo-8,13-dihydro-4H-benzo[5,6]azepino[3,2,1-ij]quinoline-5-carboxylate heptane hemisolvate","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618015152","","","1.54178","CuKα","","0.0661","0.0576","","","0.1483","0.1554","","","","","","1.048","","","","has coordinates,has disorder,has Fobs","211885","2020-10-21","18:00:00",""
"2021331","7.6924","0.0015","10.128","0.002","12.24","0.002","84.85","0.03","85.98","0.03","83.7","0.03","942.3","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Poly[[μ~2~-trans-1,2-bis(pyridin-3-yl)ethylene-κ^2^N:N']bis(μ~4~-4,4'-oxydibenzoato-κ^6^O:O,O':O'':O'',O''')dicadmium(II)]","","- C40 H26 Cd2 N2 O10 -","- C40 H26 Cd2 N2 O10 -","- C40 H26 Cd2 N2 O10 -","1","0.5","QS3076","Li, Ni-Ya; Liu, Dong","Synthesis, structure and photoluminescence properties of a three-dimensional cadmium(II) (4,5)-connected coordination network","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015073","","","0.71073","MoKα","","0.0211","0.0193","","","0.0475","0.0486","","","","","","1.129","","","","has coordinates,has Fobs","211886","2020-10-21","18:00:00",""
"2021332","21.418","0.003","21.418","0.003","12.2911","0.0018","90","","90","","120","","4882.9","1.2","150","2","150","2","","","","","","","","4","R -3 c","-R 3 2""c","167","","Pentasodium iron(III) silicate","","- Fe Na4.96 O12 Si4 -","- Fe Na4.96067 O12 Si4 -","- Fe18 Na89.292 O216 Si72 -","18","","FN3279","Ahmadzadeh, Mostafa; Olds, Travis A.; Scrimshire, Alex; Bingham, Paul A.; McCloy, John S.","Structure and properties of Na~5~FeSi~4~O~12~ crystallized from 5Na~2~O‒Fe~2~O~3~‒8SiO~2~ glass","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014353","","","0.71073","MoKα","","0.0308","0.0192","","","0.0436","0.0458","","","","","","1.013","","","","has coordinates,has Fobs","211917","2020-10-21","18:00:00",""
"2021333","10.3982","0.0015","10.3982","0.0015","38.858","0.008","90","","90","","120","","3638.5","1.1","293","2","293","2","","","","","","","synthesised by authors, see text","5","R -3 c :H","-R 3 2""c","167","","","","- Ag1.01 In Mo3 O12 Rb2 -","- Ag1.0089 In0.9971 Mo3 O12 Rb2 -","- Ag12.1068 In11.9652 Mo36 O144 Rb24 -","12","0.333333","LY3077","Spiridonova, Tatyana S.; Solodovnikov, Sergey F.; Savina, Aleksandra A.; Kadyrova, Yulia M.; Solodovnikova, Zoya A.; Yudin, Vasiliy N.; Stefanovich, Sergey Yu.; Khaikina, Elena G.","New triple molybdate Rb~2~AgIn(MoO~4~)~3~: synthesis, framework crystal structure and ion-transport behaviour","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014717","","","0.71073","MoKα","","0.0326","0.0225","","","0.0548","0.0572","","","","","","1.009","","","","has coordinates,has Fobs","211918","2020-10-21","18:00:00",""
"2021334","8.768","0.007","11.115","0.002","22.3","0.04","90","","91.59","0.13","90","","2172","4","2.5","0.5","2.5","0.5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, neutron data at 2.5 K","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.795","neutrons","","0.0463","0.038","","","0.0921","0.096","","","","","","1.145","","","","has coordinates,has Fobs","211974","2020-10-21","18:00:00",""
"2021335","8.8583","0.0007","11.1031","0.0009","22.4335","0.0018","90","","91.876","0.001","90","","2205.3","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, neutron data at 170 K, X-ray constrained","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.795","neutron","","0.0741","0.0598","","","0.1276","0.1472","","","","","","1.219","","","","has coordinates,has Fobs","211974","2020-10-21","18:00:00",""
"2021336","8.8583","0.0007","11.1031","0.0009","22.4335","0.0018","90","","91.876","0.001","90","","2205.3","0.3","170","2","170","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1, X-ray data at 170 K","3-[2-(Pyridin-4-yl)ethyl]pentane-2,4-dione","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","LG3228","Truong, Khai-Nghi; Meven, Martin; Englert, Ulli","Proton disorder in a short intramolecular hydrogen bond investigated by single-crystal neutron diffraction at 2.5 and 170K","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015164","","","0.71073","MoKα","","0.0696","0.0522","","","0.1338","0.1462","","","","","","1.034","","","","has coordinates,has disorder,has Fobs","211974","2020-10-21","18:00:00",""
"2021337","13.2358","0.0005","16.3228","0.0005","17.8925","0.0005","95.741","0.002","107.412","0.003","105.197","0.003","3492","0.2","100","0.11","100","0.11","","","","","","","","7","P -1","-P 1","2","Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(perchlorate)‒dichloromethane‒methanol (1/1/2)","Bis{N-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(perchlorate)‒dichloromethane ‒methanol (1/1/2)","","- C67 H70 Br2 Cl4 Co N10 O14 -","- C67 H70 Br2 Cl4 Co N10 O14 -","- C134 H140 Br4 Cl8 Co2 N20 O28 -","2","1","CU3135","Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong","Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015541","","x-ray","1.54184","CuKα","","0.0764","0.0666","","","0.1807","0.1925","","","","","","1.032","","","","has coordinates,has Fobs","211975","2020-10-21","18:00:00",""
"2021338","13.182","0.0003","16.2426","0.0003","17.7898","0.0003","95.8495","0.0014","107.33","0.0016","104.713","0.0016","3451.2","0.13","99.98","0.15","99.98","0.15","","","","","","","","9","P -1","-P 1","2","Bis(6-bromopyridine-2-carbaldehyde rhodamine 6G hydrazone)cobalt(II) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1/2)","Bis{N-[(6-bromopyridin-2-yl)methylidene]-2-[6-ethylamino-3-(ethyliminiumyl)-2,7-dimethyl-3H-xanthen-9-yl]benzene-1-carbohydrazonate}cobalt(II) bis(tetrafluoridoborate)‒dichloromethane‒methanol (1/1/2)","","- C67 H70 B2 Br2 Cl2 Co F8 N10 O6 -","- C67 H70 B2 Br2 Cl2 Co F8 N10 O6 -","- C134 H140 B4 Br4 Cl4 Co2 F16 N20 O12 -","2","1","CU3135","Yuan, Juan; Wang, Xia; Zhang, Nan; Liu, Mei-Jiao; Kou, Hui-Zhong","Two new cobalt(II) rhodamine 6G hydrazone complexes: structure, fluorescence and magnetism","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015541","","x-ray","1.54184","CuKα","","0.0548","0.0494","","","0.132","0.1368","","","","","","1.027","","","","has coordinates,has disorder,has Fobs","211975","2020-10-21","18:00:00",""
"2021339","7.1606","0.0004","7.2405","0.0003","28.2842","0.0014","90","","90","","90","","1466.43","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(Z)-3-Methyl-2-{(E)-[(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C14 H21 N3 O S -","- C14 H21 N3 O S -","- C56 H84 N12 O4 S4 -","4","1","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","x-ray","0.71073","MoKα","","0.0355","0.0337","","","0.077","0.0779","","","","","","1.116","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021340","11.4988","0.0008","13.5379","0.0011","22.3107","0.0016","90","","90","","90","","3473.1","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2Z,5Z)-5-[(Dimethylamino)methylidene]-2-{(E)-[(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ylidene]hydrazinylidene}thiazolidin-4-one","","- C16 H24 N4 O S -","- C16 H24 N4 O S -","- C128 H192 N32 O8 S8 -","8","2","YF3154","N'ait Ousidi, Abdellah; Ait Itto, Moulay Youssef; Auhmani, Aziz; Riahi, Abdelkhalek; Robert, Anthony; Auhmani, Abdelwahed; Daran, Jean-Claude","New polysubstituted monoterpenic thiazolidinones: synthesis, spectroscopic and crystal structure studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015802","","","0.71073","MoKα","","0.0516","0.04","","","0.0926","0.0991","","","","","","1.026","","","","has coordinates,has Fobs","211976","2020-10-21","18:00:00",""
"2021341","10.2789","0.0005","10.8253","0.0004","15.02","0.0006","101.229","0.004","105.716","0.004","109.782","0.004","1436.22","0.13","120","2","120","2","","","","","","","","5","P 1","P 1","1","","N,N'-(Cyclohexane-1,4-diyl)bis(O,O'-diphenylphosphoramide)","","- C30 H32 N2 O6 P2 -","- C30 H32 N2 O6 P2 -","- C60 H64 N4 O12 P4 -","2","2","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···OX (X is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=Y) (Y is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.032","0.0299","","","0.0757","0.0775","","","","","","1.014","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021342","13.2517","0.0003","10.0091","0.0002","13.958","0.0003","90","","112.931","0.0012","90","","1705.05","0.06","295","","295","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","N,N'-(1,4-Phenylene)bis(O,O'-dimethylthiophosphoramidate)","","- C10 H18 N2 O4 P2 S2 -","- C10 H18 N2 O4 P2 S2 -","- C40 H72 N8 O16 P8 S8 -","4","1","CU3131","Vahdani Alviri, Banafsheh; Pourayoubi, Mehrdad; Farhadipour, Abolghasem; Nečas, Marek; Bertolasi, Valerio","A combined X-ray crystallography and theoretical study of N—H···OX (X is =P and —C) hydrogen bonds in two new structures with a (C—O)~2~(N)P(=Y) (Y is O and S) skeleton","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014006","","","0.71073","MoKα","","0.0568","0.0423","","","0.1046","0.1148","","","","","","1.016","","","","has coordinates,has Fobs","211977","2020-10-21","18:00:00",""
"2021343","10.148","0.0009","11.2687","0.0011","11.5255","0.0012","90","","102.371","0.003","90","","1287.4","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0745","0.0493","","","0.1206","0.1344","","","","","","1.048","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021344","5.6693","0.0012","7.642","0.003","30.891","0.007","90","","90.465","0.014","90","","1338.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0916","0.0524","","","0.1255","0.1443","","","","","","1.035","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021345","4.9137","0.0003","15.0053","0.0009","17.7776","0.001","86.452","0.002","86.481","0.003","89.888","0.003","1305.79","0.13","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-fluorophenyl)methylidene]hydrazone}","","- C30 H22 F4 N4 -","- C30 H22 F4 N4 -","- C60 H44 F8 N8 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1142","0.0578","","","0.1528","0.1823","","","","","","1.041","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021346","6.0349","0.0002","7.3474","0.0002","16.6718","0.0005","93.255","0.001","98.722","0.001","104.473","0.001","704.03","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}","","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","1","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0316","0.0277","","","0.0717","0.0737","","","","","","1.048","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021347","10.42","0.0008","12.5276","0.0011","11.2084","0.0009","90","","103.682","0.003","90","","1421.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Butane-2,3-dione 2,3-bis{[bis(4-chloroenyl)methylidene]hydrazone}","","- C30 H22 Cl4 N4 -","- C30 H22 Cl4 N4 -","- C60 H44 Cl8 N8 -","2","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0688","0.0465","","","0.1183","0.1314","","","","","","1.035","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021348","7.6122","0.0004","10.7586","0.0006","18.3363","0.0011","104.238","0.002","95.169","0.002","107.232","0.002","1368.51","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C68 H68 N8 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0621","0.0514","","","0.1333","0.1417","","","","","","1.021","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021349","7.727","0.0015","8.9264","0.0017","10.491","0.002","97.989","0.007","96.215","0.007","106.294","0.007","679.5","0.2","100","2","100","2","","","","","","","","3","P 1","P 1","1","","Butane-2,3-dione 2,3-bis{[bis(4-methylphenyl)methylidene]hydrazone}","","- C34 H34 N4 -","- C34 H34 N4 -","- C34 H34 N4 -","1","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.0495","0.0402","","","0.0922","0.096","","","","","","1.047","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021350","11.8988","0.0004","8.1189","0.0003","18.4205","0.0006","90","","98.961","0.002","90","","1757.8","0.11","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C76 H92 N16 -","2","1","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1272","0.0546","","","0.1199","0.1484","","","","","","1.001","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021351","7.5278","0.0008","10.1875","0.0011","12.0834","0.0013","104.338","0.005","95.713","0.005","98.717","0.004","878.3","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","Butane-2,3-dione 2,3-bis((bis[4-(dimethylamino)phenyl]methylidene}hydrazone)","","- C38 H46 N8 -","- C38 H46 N8 -","- C38 H46 N8 -","1","0.5","","Dwivedi, Bhavna; Das, Dinabandhu","Polymorphism in some new bis-hydrazone compounds","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014286","","","0.71073","MoKα","","0.1042","0.0564","","","0.1424","0.1684","","","","","","1.015","","","","has coordinates,has Fobs","212002","2020-10-21","18:00:00",""
"2021352","4.0594","0.0003","10.8684","0.0008","20.7336","0.0015","102.079","0.006","94.047","0.006","94.299","0.006","888.48","0.12","120","","120","","","","","","","","","8","P -1","-P 1","2","","Poly[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-μ~3~-iodido-copper(I)] acetone hemisolvate","","- C15.5 H14 Br Cu I N2 O1.5 S -","- C15.5 H14 Br1.0004 Cu1.0004 I1.0004 N2 O1.5 S1.0004 -","- C31 H28 Br2.0008 Cu2.0008 I2.0008 N4 O3 S2.0008 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0687","0.0632","","","0.1677","0.1746","","","","","","1.068","","","","has coordinates,has disorder,has Fobs","212003","2020-10-21","18:00:00",""
"2021353","12.688","0.0012","4.1152","0.0004","15.8952","0.0015","90","","100.258","0.008","90","","816.68","0.14","120","","120","","","","","","","","","7","P 1 21 1","P 2yb","4","","Poly[μ~4~-iodido-μ~3~-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)]","","- C14 H10 Cu2 I2 N2 O S -","- C14 H10 Cu2 I2 N2 O S -","- C28 H20 Cu4 I4 N4 O2 S2 -","2","1","QF3017","Rosiak, Damian; Okuniewski, Andrzej; Chojnacki, Jarosław","Copper(I) iodide ribbons coordinated with thiourea derivatives","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015620","","x-ray","0.71073","MoKα","","0.0443","0.0441","","","0.1204","0.1205","","","","","","1.058","","","","has coordinates,has Fobs","212003","2020-10-21","18:00:00",""
"2021354","21.758","0.002","12.7682","0.0013","31.382","0.003","90","","109.191","0.005","90","","8233.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Bis(μ-1,4-dimethyltribenzo[b,e,h][1,4,7]triazacyclonona-2,5,8-trien-7-ido)-1:2κ^2^N^1^,N^7^:κN^7^; 1:2κN^7^:κ^2^N^7^,C^6^-bis[(μ-1,4-dimethyltribenzo[b,e,h][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κN^7^)iron(II)]","","- C80 H72 Fe2 N12 -","- C80 H72 Fe2 N12 -","- C320 H288 Fe8 N48 -","4","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.1283","0.0761","","","0.169","0.1927","","","","","","1.034","","","","has coordinates,has Fobs","212004","2020-10-21","18:00:00",""
"2021355","15.9624","0.0012","15.8047","0.0011","32.747","0.002","90","","90","","90","","8261.4","1","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Bis(μ-1,4-dimethyltribenzo[b,e,h][1,4,7]triazacyclonona-2,5,8-trien-7-ido-κN^7^)bis(tetrahydrofuran-κO)iron(II)","","- C48 H52 Fe N6 O2 -","- C48 H52 Fe N6 O2 -","- C384 H416 Fe8 N48 O16 -","8","1","QS3077","Lee, Wei-Tsung; Zeller, Matthias; Upp, David; Politanska, Yuliya; Steinman, Doug; Al-Assil, Talal; Becker, Daniel P.","Iron(II) complexes of dimethyltriazacyclophane","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015255","","","1.54178","CuKα","","0.0639","0.0427","","","0.1009","0.111","","","","","","1.05","","","","has coordinates,has disorder,has Fobs","212004","2020-10-21","18:00:00",""
"2021356","12.984","0.002","6.2961","0.0011","21.265","0.004","90","","94.306","0.005","90","","1733.5","0.5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","(5S,8R,9S,10S,13S,14S)-3-Chloro-10,13-dimethyl-17-oxo-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde","","- C20 H27 Cl O2 -","- C20 H27 Cl O2 -","- C80 H108 Cl4 O8 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0553","0.0419","","","0.0861","0.0896","","","","","","1.059","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021357","8.0097","0.0006","14.8313","0.0012","20.5873","0.0015","90","","90","","90","","2445.7","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(5S,8R,9S,10S,13R,14S,17R)-3-Chloro-10,13-dimethyl-17-[(R)-6-methylheptan-2-yl)-4,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde","","- C28 H45 Cl O -","- C28 H45 Cl O -","- C112 H180 Cl4 O4 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0568","0.0396","","","0.0798","0.0853","","","","","","1.035","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021358","7.0444","0.0003","10.8756","0.0006","30.491","0.0014","90","","90","","90","","2335.98","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (R)-4-[(5S,8R,9S,10R,13R,14S,17R)-3-chloro-4-formyl-10,13-dimethyl-12-oxo-2,5,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate","","- C26 H37 Cl O4 -","- C26 H37 Cl O4 -","- C104 H148 Cl4 O16 -","4","1","YF3157","Almagro, Luis; Nogueras, Manuel; Suárez, Margarita; Cobo, Justo; Glidewell, Christopher","Chloro‒formyl steroids as precursors for hybrid heterosteroids: synthesis, spectroscopic characterization, and molecular and supramolecular structures","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015887","","","0.71073","MoKα","","0.0711","0.0475","","","0.0838","0.0902","","","","","","1.056","","","","has coordinates,has Fobs","212106","2020-10-21","18:00:00",""
"2021359","8.1685","0.0001","11.4832","0.0002","30.7638","0.0004","99.9705","0.0005","94.1047","0.0005","90.9084","0.0006","2833.62","0.07","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","5,6-Dimethyl-2-phenylethylbenzo[d]imidazole hemihydrate","","- C34 H38 N4 O -","- C34 H38 N4 O -","- C136 H152 N16 O4 -","4","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54178","CuKα","","0.0443","0.0396","","","0.1065","0.1119","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212107","2020-10-21","18:00:00",""
"2021360","13.095","0.003","9.2984","0.0019","23.685","0.005","90","","93.95","0.03","90","","2877.1","1.1","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","5,6-Dimethyl-2-phenylethylbenzo[d]imidazole methanol hemisolvate","","- C17.5 H18 N2 O0.5 -","- C17.5 H18 N2 O0.5 -","- C140 H144 N16 O4 -","8","2","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54184","CuKα","","0.0613","0.0548","","","0.1481","0.1562","","","","","","1.041","","","","has coordinates,has Fobs","218075","2020-10-21","18:00:00",""
"2021361","5.56861","0.00009","18.0016","0.0003","17.1528","0.0003","90","","97.8415","0.0007","90","","1703.39","0.05","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-5,6-Dimethyl-2-styryl-1H-benzo[d]imidazolium hydrogen oxalate","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C76 H72 N8 O16 -","4","1","FP3059","Główka, Marek L.; Kałużyńska, Sylwia; Krause, Malwina; Gobis, Katarzyna; Foks, Henryk; Szczesio, Małgorzata; Olczak, Andrzej","The structures of benzimidazole derivatives and their potential as tuberculostatics","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618014675","","","1.54178","CuKα","","0.0355","0.0321","","","0.0876","0.0899","","","","","","1.053","","","","has coordinates,has Fobs","212107","2020-10-21","18:00:00",""
"2021362","8.538","0.001","5.283","0.001","32.801","0.004","90","","99.692","0.005","90","","1458.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-[4-(Bromomethyl)phenyl][4-(dibromomethyl)phenyl]diazene","","- C14 H11 Br3 N2 -","- C14 H11 Br3 N2 -","- C56 H44 Br12 N8 -","4","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0461","0.0392","","","0.0854","0.0875","","","","","","1.154","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021363","20.379","0.003","8.6401","0.001","9.8451","0.001","90","","114.797","0.002","90","","1573.7","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-1,2-Bis[4-(dibromomethyl)phenyl]diazene","","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","- C56 H40 Br16 N8 -","4","0.5","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0301","0.0239","","","0.0539","0.0556","","","","","","1.023","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021364","9.1219","0.0012","16.904","0.002","10.3633","0.0014","90","","112.122","0.002","90","","1480.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-[3-(Bromomethyl)phenyl][3-(dibromomethyl)phenyl]diazene","","- C14 H11 Br3 N2 -","- C14 H11 Br3 N2 -","- C56 H44 Br12 N8 -","4","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0539","0.0408","","","0.098","0.1044","","","","","","1.03","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021365","4.899","0.002","8.294","0.002","9.942","0.003","98.103","0.004","103.64","0.003","96.65","0.003","384","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-Bis[3-(dibromomethyl)phenyl]diazene","","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","- C14 H10 Br4 N2 -","1","0.5","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0382","0.0327","","","0.0819","0.0847","","","","","","1.046","","","","has coordinates,has Fobs","212108","2020-10-21","18:00:00",""
"2021366","7.0161","0.0011","8.5634","0.0013","14.897","0.002","103.257","0.002","102.974","0.002","91.703","0.002","845.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(E)-[3-(Dibromomethyl)phenyl][3-(tribromomethyl)phenyl]diazene","","- C14 H9 Br5 N2 -","- C14 H9 Br5 N2 -","- C28 H18 Br10 N4 -","2","1","KY3150","Vande Velde, Christophe M. L.; Zeller, Matthias; Azov, Vladimir A.","Comparison of computationally cheap methods for providing insight into the crystal packing of highly bromomethylated azobenzenes","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015309","","","0.71073","MoKα","","0.0674","0.0507","","","0.1287","0.1365","","","","","","0.989","","","","has coordinates,has disorder,has Fobs","212108","2020-10-21","18:00:00",""
"2021367","4.6212","0.0001","12.5742","0.0004","19.3936","0.0006","90","","92.869","0.001","90","","1125.51","0.06","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Acetyl-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","","- C10 H14 N2 O3 S -","- C10 H14 N2 O3 S -","- C40 H56 N8 O12 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0378","0.0295","","","0.0769","0.085","","","","","","1.051","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021368","4.914","0.0001","12.945","0.0003","9.763","0.0003","90","","103.474","0.001","90","","603.95","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,3-Diethyl-5-propionyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","","- C11 H16 N2 O3 S -","- C11 H16 N2 O3 S -","- C22 H32 N4 O6 S2 -","2","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.027","0.0265","","","0.0695","0.0703","","","","","","1.087","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021369","8.3816","0.0012","9.6258","0.0014","24.297","0.003","90","","90","","90","","1960.3","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","tert-Butyl [1-(1,3-diethyl-4,6-dioxo-2-thioxohexahydropyrimidin-5-yl)-3-methyl-1-oxobutan-2-yl)carbamate","","- C18 H29 N3 O5 S -","- C18 H29 N3 O5 S -","- C72 H116 N12 O20 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0303","0.0283","","","0.0688","0.0699","","","","","","1.043","","","","has coordinates,has disorder,has Fobs","212130","2020-10-21","18:00:00",""
"2021370","4.8156","0.0002","21.7395","0.0007","15.1912","0.0005","90","","95.656","0.001","90","","1582.6","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3-Diethyl-4,6-dioxo-2-thioxo--(p-tolyl)hexahydropyrimidine-5-carbothioamide","","- C16 H19 N3 O2 S2 -","- C16 H19 N3 O2 S2 -","- C64 H76 N12 O8 S8 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0395","0.0306","","","0.0732","0.0776","","","","","","1.041","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021371","12.8983","0.0004","9.8458","0.0003","18.2217","0.0006","90","","98.25","0.002","90","","2290.1","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(1-Aminoethylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","","- C10 H15 N3 O2 S -","- C10 H15 N3 O2 S -","- C80 H120 N24 O16 S8 -","8","2","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0399","0.0326","","","0.0832","0.0879","","","","","","1.026","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021372","4.9625","0.0003","10.6358","0.0007","23.2402","0.0015","90","","90","","90","","1226.62","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","5-(1-Aminopropylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione","","- C11 H17 N3 O2 S -","- C11 H17 N3 O2 S -","- C44 H68 N12 O8 S4 -","4","1","FP3065","Sharma, Anamika; Zamisa, Sizwe J.; Noki, Sikabwe; Almarhoon, Zainab; El-Faham, Ayman; de la Torre, Beatriz G.; Albericio, Fernando","Crystal structure, spectroscopic studies and theoretical studies of thiobarbituric acid derivatives: understanding the hydrogen-bonding patterns","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015516","","","0.71073","MoKα","","0.0344","0.0323","","","0.0746","0.0759","","","","","","1.035","","","","has coordinates,has Fobs","212130","2020-10-21","18:00:00",""
"2021373","28.348","0.003","9.672","0.0009","7.5667","0.0008","90","","103.308","0.004","90","","2018.9","0.4","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Benzene-1,2-diaminium sulfate sesquihydrate","","- C6 H13 N2 O5.5 S -","- C6 H13 N2 O5.5 S -","- C48 H104 N16 O44 S8 -","8","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0529","0.0434","","","0.1182","0.1253","","","","","","1.12","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2021374","5.7979","0.0019","9.866","0.004","15.421","0.006","90","","90","","90","","882.1","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3-Aminoanilinium perchlorate","","- C6 H9 Cl N2 O4 -","- C6 H9 Cl N2 O4 -","- C24 H36 Cl4 N8 O16 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKα","","0.0316","0.0292","","","0.0756","0.0771","","","","","","1.021","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021375","14.007","0.0011","11.6085","0.0009","7.2286","0.0005","90","","90","","90","","1175.37","0.15","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","","benzene-1,3-diaminium tetrachloridozincate(II)","","- C6 H10 Cl4 N2 Zn -","- C6 H10 Cl4 N2 Zn -","- C24 H40 Cl16 N8 Zn4 -","4","1","OV3114","Zick, Patricia L.; Geiger, David K.","Charge-assisted hydrogen bonding in three diaminobenzene salts","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015553","","","0.71073","MoKa","","0.0253","0.0236","","","0.0556","0.0566","","","","","","1.046","","","","has coordinates,has Fobs","212131","2020-10-21","18:00:00",""
"2021376","23.9306","0.0006","23.9322","0.0006","14.9917","0.0004","90","","113.485","0.0004","90","","7874.7","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly[tetrakis(dimethylazanium) [tetrakis(μ~2~-furan-2,5-dicarboxylato-κ^2^O^2^:O^5^)dizinc(II)]]","","- C32 H40 N4 O20 Zn2 -","- C32 H40 N4 O20 Zn2 -","- C256 H320 N32 O160 Zn16 -","8","1","","Mao, Yimin; Zavalij, Peter Y.","Two- and three-dimensional coordination polymers based on zinc(II) and furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker ratio","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015759","","","0.71073","MoKα","","0.0824","0.0372","","","0.0628","0.0645","","","","","","1.098","","","","has coordinates,has Fobs","212132","2020-10-21","18:00:00",""
"2021377","9.2803","0.0003","15.1916","0.0005","17.7731","0.0006","90","","96.4221","0.0006","90","","2489.97","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[bis(dimethylazanium) [bis(μ~4~-furan-2,5-dicarboxylato-κO^2^:κO^2'^:κO^5^:κO^5^)bis(μ~3~-furan-2,5-dicarboxylato-κO^2^:κO^2'^:κO^5^)dizinc(II)] dimethylformamide 3.08-solvate]","","- C37.25 H45.6 N5.1 O23.1 Zn3 -","- C37.252 H45.588 N5.084 O23.084 Zn3 -","- C74.504 H91.176 N10.168 O46.168 Zn6 -","2","0.5","","Mao, Yimin; Zavalij, Peter Y.","Two- and three-dimensional coordination polymers based on zinc(II) and furan-2,5-dicarboxylic acid: structure variation due to metal-to-linker ratio","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015759","","","0.71073","MoKα","","0.0522","0.0476","","","0.1131","0.1148","","","","","","1.037","","","","has coordinates,has disorder,has Fobs","212132","2020-10-21","18:00:00",""
"2021378","8.1252","0.0003","11.7042","0.0004","13.734","0.0005","65.864","0.004","84.716","0.003","88.191","0.003","1186.82","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]-trans-dichlorido(quinoline-κN)platinum(II)","","- C24 H27 Cl2 N O4 Pt -","- C24 H27 Cl2 N O4 Pt -","- C48 H54 Cl4 N2 O8 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and in vitro cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0406","0.0359","","","0.0706","0.0729","","","","","","1.12","","","","has coordinates,has disorder","212133","2020-10-21","18:00:00",""
"2021379","8.3447","0.0002","11.9191","0.0004","12.9315","0.0005","63.296","0.004","84.618","0.003","76.484","0.003","1117.08","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]chlorido(quinolin-8-olato-κ^2^N,O)platinum(II)","","- C24 H26 Cl N O5 Pt -","- C24 H26 Cl N O5 Pt -","- C48 H52 Cl2 N2 O10 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and in vitro cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0218","0.0207","","","0.0476","0.0481","","","","","","1.085","","","","has coordinates,has Fobs","212133","2020-10-21","18:00:00",""
"2021380","9.7858","0.0003","11.0447","0.0002","11.8117","0.0003","85.059","0.002","73.685","0.003","71.139","0.002","1159.41","0.06","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","{η^2^-4-Allyl-2-methoxy-1-[(propan-2-yloxy)carbonylmethoxy]benzene}chlorido(quinolin-8-olato-κ^2^N,O)platinum(II)","","- C24 H26 Cl N O5 Pt -","- C24 H26 Cl N O5 Pt -","- C48 H52 Cl2 N2 O10 Pt2 -","2","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and in vitro cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0189","0.0174","","","0.0398","0.0406","","","","","","1.102","","","","has coordinates,has Fobs","212133","2020-10-21","18:00:00",""
"2021381","15.6457","0.0013","9.7291","0.0004","16.6062","0.0008","90","","111.15","0.008","90","","2357.5","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[η^2^-4-Allyl-2-methoxy-1-(propoxycarbonylmethoxy)benzene]chlorido(quinolin-2-carboxylato-κ^2^N,O)platinum(II)","","- C25 H26 Cl N O6 Pt -","- C25 H26 Cl N O6 Pt -","- C100 H104 Cl4 N4 O24 Pt4 -","4","1","LY3081","Chi, Nguyen Thi Thanh; Thong, Pham Van; Mai, Truong Thi Cam; Van Meervelt, Luc","Mixed natural arylolefin‒quinoline platinum(II) complexes: synthesis, structural characterization and in vitro cytotoxicity studies","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015978","","","0.71073","MoKα","","0.0528","0.0382","","","0.0775","0.0864","","","","","","1.075","","","","has coordinates,has disorder","212133","2020-10-21","18:00:00",""
"2021382","9.6212","0.0005","13.4483","0.0007","19.7967","0.001","72.681","0.001","89.995","0.001","69.051","0.001","2267.4","0.2","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","6-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C112 H80 Cl8 N8 O8 -","8","4","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0425","0.0347","","","0.0931","0.0975","","","","","","1.086","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021383","12.7217","0.0008","4.8842","0.0003","19.9554","0.0014","90","","108.577","0.001","90","","1175.33","0.13","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.058","0.0409","","","0.1105","0.1213","","","","","","1.036","","","","has coordinates,has disorder,has Fobs","212224","2020-10-21","18:00:00",""
"2021384","10.4274","0.0009","11.8586","0.001","9.1689","0.0008","90","","90.341","0.002","90","","1133.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0381","0.0344","","","0.0919","0.0937","","","","","","1.02","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021385","10.5605","0.0008","12.0485","0.0009","9.1939","0.0007","90","","89.288","0.002","90","","1169.72","0.15","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chloro-1-phenylindolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.054","0.0403","","","0.1015","0.1103","","","","","","0.934","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021386","11.1067","0.0007","13.3924","0.0008","8.0288","0.0005","90","","109.92","0.002","90","","1122.79","0.12","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-indolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0372","0.0322","","","0.0833","0.086","","","","","","1.021","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021387","11.1901","0.0002","13.6596","0.0003","8.0965","0.0002","90","","109.996","0.001","90","","1162.96","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(3-Chlorophenyl)-indolin-2-one","","- C14 H10 Cl N O -","- C14 H10 Cl N O -","- C56 H40 Cl4 N4 O4 -","4","1","YO3056","Wang, Bing; Fang, Qi","Structures and phase transition of three isomers of 1-phenylindolin-2-one derivatives: 6-chloro-1-phenylindolin-2-one, 4-chloro-1-phenylindolin-2-one and 1-(3-chlorophenyl)indolin-2-one","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618015796","","","0.71073","MoKα","","0.0583","0.0447","","","0.1248","0.1313","","","","","","1.081","","","","has coordinates,has Fobs","212224","2020-10-21","18:00:00",""
"2021388","13.1008","0.0008","13.2084","0.0008","19.3147","0.0012","90","","90.701","0.002","90","","3342","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis(3,4,5-trimethylimidazolium) di-μ~3~-iodido-tetra-μ~2~-iodido-decaiodidotetrabismuth(III)","","- C24 H44 Bi4 I16 N8 -","- C24 H44 Bi4 I16 N8 -","- C48 H88 Bi8 I32 N16 -","2","0.5","FN3280","Chen, Wei-Jun; Chu, Kai-Bin; Song, Jun-Ling","Low-dimensional bismuth(III) iodide hybrid material with high activity for the fast removal of rhodamine B","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016030","","","0.71073","MoKα","","0.0388","0.0287","","","0.0619","0.0673","","","","","","1.042","","","","has coordinates,has Fobs","212225","2020-10-21","18:00:00",""
"2021389","16.3612","0.0006","8.4646","0.0003","23.6668","0.0012","90","","108.718","0.005","90","","3104.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-Hydroxy-N-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C152 H128 N16 O32 -","8","2","JX3022","Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B.","Polymorphic modifications of a 1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide possessing strong diuretic properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016352","","","0.71073","MoKα","","0.1121","0.059","","","0.1422","0.1598","","","","","","1.028","","","","has coordinates,has Fobs","212226","2020-10-21","18:00:00",""
"2021390","7.1048","0.0019","10.0882","0.0016","11.5171","0.0017","73.761","0.017","87.27","0.02","76.48","0.02","770.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","6-Hydroxy-N-(4-methoxyphenyl)-4-oxo-2,4-dihydro-1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide","","- C19 H16 N2 O4 -","- C19 H16 N2 O4 -","- C38 H32 N4 O8 -","2","1","JX3022","Shishkina, Svitlana V.; Levandovskiy, Igor A.; Ukrainets, Igor V.; Sidorenko, Lyudmila V.; Grinevich, Lina A.; Yanchuk, Igor B.","Polymorphic modifications of a 1H-pyrrolo[3,2,1-ij]quinoline-5-carboxamide possessing strong diuretic properties","Acta Crystallographica Section C","2018","74","12","","","10.1107/S2053229618016352","","","0.71073","MoKα","","0.1438","0.0881","","","0.2308","0.262","","","","","","1.016","","","","has coordinates,has Fobs","212226","2020-10-21","18:00:00",""
"2021391","30.5449","0.0013","14.2507","0.0005","48.6187","0.0017","90","","107.836","0.004","90","","20145.9","1.4","293","2","293","2","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H90.67 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C116 H90.6672 As2 Cu8 Eu2 K2 N16 O117.5 W22 -","- C464 H362.669 As8 Cu32 Eu8 K8 N64 O470 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","x-ray","0.71073","MoKα","","0.1011","0.0635","","","0.1444","0.1739","","","","","","1.057","","","","has coordinates","212254","2020-10-21","18:00:00",""
"2021392","30.5038","0.0007","14.1439","0.0004","48.2029","0.0012","90","","108.131","0.003","90","","19764.2","0.9","190","20","190","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C116 H92 As2 Cu8 Gd2 K2 N16 O126 W22 -","- C464 H368 As8 Cu32 Gd8 K8 N64 O504 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0623","0.0449","","","0.092","0.1003","","","","","","1.081","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021393","30.4415","0.0007","14.0792","0.0003","48.0609","0.0014","90","","108.235","0.003","90","","19564.1","0.9","133","11","133","11","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C116 H92 As2 Cu8 K2 N16 O126 Tb2 W22 -","- C464 H368 As8 Cu32 K8 N64 O504 Tb8 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.067","0.0463","","","0.0897","0.0977","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021394","30.481","0.0006","14.104","0.0003","48.1783","0.0008","90","","108.247","0.002","90","","19670.6","0.7","134","12","134","12","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C116 H88 As2 Cu8 Dy2 K2 N16 O128 W22 -","- C464 H352 As8 Cu32 Dy8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0612","0.0461","","","0.0906","0.0963","","","","","","1.072","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021395","30.4802","0.0007","14.113","0.0003","48.116","0.0013","90","","108.169","0.003","90","","19665.9","0.9","172","60","172","60","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C116 H94 As2 Cu8 Ho2 K2 N16 O128 W22 -","- C464 H376 As8 Cu32 Ho8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.0768","0.0474","","","0.0948","0.1057","","","","","","1.022","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021396","30.581","0.002","14.1638","0.0006","48.299","0.003","90","","108.273","0.007","90","","19865","2","140","20","140","20","","","","","","","","9","I 1 2/a 1","-I 2ya","15","","","","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C116 H87 As2 Cu8 Er2 K2 N16 O128 W22 -","- C464 H348 As8 Cu32 Er8 K8 N64 O512 W88 -","4","0.5","JR3013","Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat","Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates","Acta Crystallographica Section C Structural Chemistry","2018","74","12","","","10.1107/S2053229618014171","","","0.71073","MoKα","","0.1765","0.0872","","","0.1424","0.1832","","","","","","1.058","","","","has coordinates,has Fobs","212254","2020-10-21","18:00:00",""
"2021397","6.6714","0.0005","7.3296","0.0008","12.987","0.0009","90.425","0.007","96.907","0.006","114.347","0.009","573.23","0.1","100","1","100","1","","","","","","","","4","P -1","-P 1","2","Pyrazine‒phthalic acid (1/1)","Pyrazine‒benzene-1,2-dicarboxylic acid (1/1)","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C24 H20 N4 O8 -","2","1","YP3167","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0411","0.0359","","","0.0865","0.091","","","","","","1.057","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021398","7.7184","0.0009","9.9393","0.001","10.03","0.001","115.029","0.01","112.471","0.01","92.672","0.009","624","0.15","100","1","100","1","","","","","","","","4","P -1","-P 1","2","Pyrazine‒hemimellitic acid (1/1)","Pyrazine‒benzene-1,2,3-tricarboxylic acid (1/1)","","- C13 H10 N2 O6 -","- C13 H10 N2 O6 -","- C26 H20 N4 O12 -","2","1","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.041","0.0346","","","0.0862","0.092","","","","","","1.041","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021399","6.6537","0.0008","8.3316","0.0011","11.5433","0.0015","73.1","0.012","75.565","0.011","73.001","0.011","576.01","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Pyrazine‒hemimellitic acid‒water (1/2/2)","Pyrazine‒benzene-1,2,3-tricarboxylic acid‒water (1/2/2)","","- C22 H20 N2 O14 -","- C22 H20 N2 O14 -","- C22 H20 N2 O14 -","1","0.5","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0642","0.0526","","","0.1448","0.1601","","","","","","1.036","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021400","7.0481","0.0007","22.365","0.002","7.212","0.0007","90","","96.967","0.009","90","","1128.44","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pyrazine‒pyromellitic acid (3/1)","Pyrazine‒benzene-1,2,4,5-tetracarboxylic acid (3/1)","","- C22 H18 N6 O8 -","- C22 H18 N6 O8 -","- C44 H36 N12 O16 -","2","0.5","","Dutkiewicz, Grzegorz; Dutkiewicz, Edward; Kubicki, Maciej","Cocrystals of pyrazine and benzene polycarboxylic acids","Acta Crystallographica Section C","2018","74","11","1420","1426","10.1107/S2053229618013669","","x-ray","0.71073","MoKα","","0.0552","0.0406","","","0.0913","0.1028","","","","","","1.022","","","","has coordinates,has Fobs","212337","2020-10-21","18:00:00",""
"2021401","13.3054","0.0004","18.0281","0.0006","22.4544","0.0005","91.09","0.002","92.169","0.002","108.155","0.003","5111.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","Dodecasodium acetato(arsenotungstato)triaquacarbonato(ditungstato)sodiumdiyttrium dodecahyrate","","- C3 As2 Na12 O113 W20 Y2 -","- C3 As2 Na12 O113 W20 Y2 -","- C6 As4 Na24 O226 W40 Y4 -","2","1","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","","0.71073","MoKα","","0.1066","0.063","","","0.1052","0.1216","","","","","","1.021","","","","has coordinates","218928","2020-10-21","18:00:00",""
"2021402","23.3948","0.0006","24.5658","0.0005","18.6887","0.0005","90","","110.869","0.003","90","","10036","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Diyttrium tripotassium tetrasodium triaquacarbonato(germanotungstato)triyttrium nonadecahydrate","","- C Ge2 K3 Na4 O95 W18 Y5 -","- C Ge2 K3 Na4 O95 W18 Y5 -","- C4 Ge8 K12 Na16 O380 W72 Y20 -","4","0.5","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","x-ray","0.71073","MoKα","","0.0449","0.0382","","","0.0894","0.0935","","","","","","1.091","","","","has coordinates","212338","2020-10-21","18:00:00",""
"2021403","22.2367","0.0006","22.6726","0.0005","20.1786","0.0005","90","","111.037","0.003","90","","9495.3","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Ytterbium octapotassiumdisodium triaquacarbonato(germanotungstato)triyttrium hexadecahydrate","","- C Ge2 K8 Na O93 W18 Yb4 -","- C Ge2 K8 Na O93 W18 Yb4 -","- C4 Ge8 K32 Na4 O372 W72 Yb16 -","4","0.5","JR3017","Kaushik, Reetam; Khan, Imran; Saini, Mukesh Kumar; Hussain, Firasat; Sadakane, Masahiro","Synthesis and characterization of carbonate-encapsulated ytterbium- and yttrium-containing polyoxotungstates","Acta Crystallographica Section C","2018","74","11","1355","1361","10.1107/S2053229618011841","","x-ray","0.71073","MoKα","","0.0551","0.0432","","","0.1049","0.111","","","","","","1.038","","","","has coordinates","212338","2020-10-21","18:00:00",""
"2021673","5.723","0.006","27.11","0.03","10.984","0.012","90","","89.55","0.03","90","","1704","3","200","","200","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,5-Bis(3-phenylprop-2-yn-1-ylidene)cyclopentanone","","- C23 H16 O -","- C23 H16 O -","- C92 H64 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.1941","0.0841","","","0.154","0.1914","","","","","","1.031","","","","has coordinates,has Fobs","216069","2020-10-21","18:00:00",""
"2021674","7.098","0.003","42.72","0.02","6.135","0.003","90","","90","","90","","1860.3","1.5","120","","120","","","","","","","","","4","A e m 2","A 2 -2b","39","","2,5-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclopentanone","","- C23 H14 Br2 O -","- C23 H14 Br2 O -","- C92 H56 Br8 O4 -","4","0.5","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.0966","0.0635","","","0.1478","0.1649","","","","","","0.969","","","","has coordinates,has Fobs","216070","2020-10-21","18:00:00",""
"2021675","5.498","0.004","27.52","0.02","13.885","0.009","90","","124.09","0.03","90","","1740","2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-Bis(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.2024","0.0853","","","0.1075","0.1306","","","","","","1.018","","","","has coordinates,has Fobs","216071","2020-10-21","18:00:00",""
"2021676","12.006","0.002","5.2243","0.001","31.998","0.006","90","","90","","90","","2007","0.6","100","","100","","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,6-Bis[3-(4-bromophenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C24 H16 Br2 O -","- C24 H16 Br2 O -","- C96 H64 Br8 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1172","0.0792","","","0.2035","0.2584","","","","","","1.002","","","","has coordinates,has Fobs","216072","2020-10-21","18:00:00",""
"2021677","12.9422","0.0014","6.9614","0.0007","24.721","0.003","90","","97.732","0.002","90","","2207","0.4","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-tert-Butyl-2,6-bis(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C28 H25 O -","- C28 H25 O -","- C112 H100 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.1945","0.0779","","","0.1398","0.163","","","","","","0.99","","","","has coordinates,has disorder,has Fobs","216073","2020-10-21","18:00:00",""
"2021678","6.401","0.0013","21.35","0.004","18.19","0.004","90","","94.83","0.03","90","","2477","0.9","120","","120","","","","","","","","","3","C 1 c 1","C -2yc","9","","4-tert-Butyl-2,6-bis[3-(4-methylphenyl)prop-2-yn-1-ylidene]cyclohexanone","","- C30 H30 O -","- C30 H30 O -","- C120 H120 O4 -","4","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.21","0.1396","","","0.3023","0.3392","","","","","","1.029","","","","has coordinates,has disorder,has Fobs","216074","2020-10-21","18:00:00",""
"2021679","9.5892","0.0019","10.145","0.002","30.08","0.006","90","","90","","90","","2926.3","1","100","","100","","","","","","","","","3","P c a 21","P 2c -2ac","29","","2-(Furan-2-ylmethylene)-6-(3-phenylprop-2-yn-1-ylidene)cyclohexanone","","- C20 H16 O2 -","- C20 H16 O2 -","- C160 H128 O16 -","8","2","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.9699","synchrotron","","0.1374","0.0948","","","0.2136","0.2496","","","","","","1.011","","","","has coordinates,has Fobs","216075","2020-10-21","18:00:00",""
"2021680","9.2801","0.0014","9.5498","0.0014","9.6407","0.0014","84.218","0.003","70.882","0.003","66.632","0.003","740.63","0.19","120","","120","","","","","","","","","3","P -1","-P 1","2","","6-(3-Butylprop-2-yn-1-ylidene)-2-(furan-2-ylmethylene)cyclohexanone","","- C18 H20 O2 -","- C18 H20 O2 -","- C36 H40 O4 -","2","1","JX3023","Eugenia D. Voronova; Alexander A. Golovanov; Ivan S. Odin; Maksim A. Anisimov; Pavel V. Dorovatovskii; Yan V. Zubavichus; Anna V. Vologzhanina","Peculiarities of supramolecular organization of cyclic ketones with vinylacetylene fragments","Acta Crystallographica, Section C","2018","74","12","1674","1683","10.1107/S2053229618015838","","","0.71073","MoKα","","0.0903","0.0577","","","0.1249","0.139","","","","","","1.033","","","","has coordinates,has Fobs","216076","2020-10-21","18:00:00",""
"2021759","12.28767","0.00011","13.972","0.00018","3.93043","0.00004","90","","90","","90","","674.789","0.013","293","2","293","2","","","","","","","synthesis","3","P b a 2","P 2 -2ab","32","divanillin","6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-dicarbaldehyde","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","0.5","SK3715","Marcos R. Imer; Virginia Aldabalde; Silvina Pagola; Jacco van de Streek; Leopoldo Suescun","Four interpenetrating hydrogen-bonded three-dimensional networks in divanillin","Acta Crystallographica, Section C","2018","74","12","1768","1773","10.1107/S2053229618016200","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","","","2.3","","","","","","","has coordinates","217822","2020-10-21","18:00:00",""
"2021806","8.8215","0.0006","15.0094","0.001","16.6719","0.0012","90","","95.666","0.004","90","","2196.7","0.3","180","0.5","180","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","2","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","0.71073","MoKα","","0.0619","0.0503","","","0.1315","0.1413","","","","","","1.022","","","","has coordinates","223399","2020-10-21","18:00:00",""
"2021807","8.8624","0.0002","15.0884","0.0003","16.7029","0.0004","90","","95.302","0.002","90","","2223.95","0.09","299","1","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H35 N7 O7 -","- C16 H35 N7 O7 -","- C64 H140 N28 O28 -","4","1","","Jurek, Paul; Kiefer, Garry E.; Fronczek, Frank R.","Crystal structures of two polymorphic forms of DOTAM-mono-acid dihydrate","Acta Crystallographica Section C","2018","74","5","542","547","10.1107/S2053229618004631","","","1.54184","CuKα","","0.0945","0.0879","","","0.2618","0.2702","","","","","","1.1","","","","has coordinates","223400","2020-10-21","18:00:00",""
"2021808","4.354","0.003","23.381","0.014","15.8","0.01","90","","97.096","0.006","90","","1596.1","1.8","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl pyridine-4-carboxylate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","KY3145","Yamamoto, Ryo; Minami, Shoma; Okuno, Tsunehisa","Crystal polymorphs of 6-[(phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","Acta Crystallographica Section C","2018","74","8","876","881","10.1107/S2053229618009373","","","0.71075","MoKα","","0.0664","0.0523","","","0.1274","0.1378","","","","","","1.095","","","","has coordinates,has Fobs","227648","2020-10-21","18:00:00",""
"2021809","19.861","0.009","5.16","0.002","16.451","0.008","90","","109.589","0.008","90","","1588.4","1.2","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","6-[(Phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl pyridine-4-carboxylate","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","KY3145","Yamamoto, Ryo; Minami, Shoma; Okuno, Tsunehisa","Crystal polymorphs of 6-[(phenylcarbamoyl)oxy]hexa-2,4-diyn-1-yl isonicotinate","Acta Crystallographica Section C","2018","74","8","876","881","10.1107/S2053229618009373","","","0.71075","MoKα","","0.1154","0.066","","","0.1346","0.1573","","","","","","1.053","","","","has coordinates,has Fobs","227648","2020-10-21","18:00:00",""
"2021810","18.644","0.002","18.646","0.002","26.106","0.003","90","","107.16","0.001","90","","8671.4","1.7","140","2","140","2","","","","","","","","6","C 1 c 1","C -2yc","9","","Poly[tetrakis(μ~4~-2,2'-difluoro-4,4'-biphenyldicarboxylato-κ^5^O^1^,O^1'^:O^1'^:O^4^:O^4'^)tetrakis(N,N-dimethylformamide-κO)tetrakis(μ~3~-1,2,4-triazolato-κ^3^N^1^:N^2^:N^4^)hexacadmium(II)]","","- C76 H60 Cd6 F8 N16 O20 -","- C76 H60 Cd6 F8 N16 O20 -","- C304 H240 Cd24 F32 N64 O80 -","4","1","YF3133","Zhang, Yuchi; Wu, Yuanhua; He, Xin; Ma, Junhan; Shen, Xuan; Zhu, Dunru","Topological identification of the first uninodal 8-connected lsz MOF built from 2,2'-difluorobiphenyl-4,4'-dicarboxylate pillars and cadmium(II)‒triazolate layers","Acta Crystallographica Section C","2018","74","3","256","262","10.1107/S2053229618001432","","","0.71073","MoKα","","0.0477","0.0465","","","0.1088","0.1095","","","","","","1.107","","","","has coordinates,has disorder,has Fobs","227649","2020-10-21","18:00:00",""
"2021811","11.75455","0.00034","8.57201","0.00031","14.5155","0.0005","84.16","0.014","90","","90","","1454.99","0.09","100","","100","","","","","","","","","4","P c 1 1","P -2xc","7","paracetamol formIII-m","N-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","4","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.04111","","5.99","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2021812","11.8376","0.00029","8.5688","0.0003","14.81837","0.00016","90","","90","","90","","1503.09","0.07","293","","293","","","","","","","","","4","P c a 21","P 2c -2ac","29","paracetamol formIII","N-(4-Hydroxyphenyl)acetamid","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","2","SK3670","Reiss, Céleste A.; van Mechelen, Jan B.; Goubitz, Kees; Peschar, René","Reassessment of paracetamol orthorhombic Form III and determination of a novel low-temperature monoclinic Form III-m from powder diffraction data","Acta Crystallographica Section C","2018","74","3","392","399","10.1107/S2053229618002619","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.039","","4.69","","","","","","","has coordinates,has Fobs","227650","2020-10-21","18:00:00",""
"2311092","23.1729","0.0014","3.6802","0.0003","15.6312","0.0008","90","","109.728","0.006","90","","1254.8","0.15","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Fluorosalicylic acid","","- C7 H5 F O3 -","- C7 H5 F O3 -","- C56 H40 F8 O24 -","8","2","JX3004","Lutz, Martin; Vliem, Jara F.; Rodenburg, Hendrik P.","Twinning in 5-fluorosalicylic acid: description of a new polymorph.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","1","6","10.1107/S2053229617017077","","","0.71073","MoKα","","0.0631","0.0473","","","0.1133","0.1226","","","","","","1.053","","","","has coordinates,has Fobs","205701","2020-10-21","18:00:00",""
"2311974","7.356","0.0009","11.589","0.0015","12.0655","0.0015","73.757","0.002","88.232","0.002","83.876","0.002","981.9","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Diaquabis(2,6-diamino-7H-purin-1-ium-κN^9^)bis(4,4'-oxydibenzoato-κO)cobalt(II) dihydrate","","- C38 H38 Co N12 O14 -","- C38 H38 Co N12 O14 -","- C38 H38 Co N12 O14 -","1","0.5","SK3675","Atria, Ana María; Parada, José; Moreno, Yanko; Suárez, Sebastián; Baggio, Ricardo; Peña, Octavio","Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN9)bis(4,4'-oxydibenzoato-κO)cobalt(II) dihydrate.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","37","44","10.1107/S2053229617016916","","","0.71073","MoKα","","0.0373","0.034","","","0.0844","0.0869","","","","","","1.031","","","","has coordinates","246195","2020-10-21","18:00:00",""
"2311975","11.965","0.005","12.595","0.002","13.667","0.003","114.497","0.003","106.139","0.004","93.912","0.004","1760.2","0.9","100","2","100.15","","","","","","","","","4","P -1","-P 1","2","3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile","(E)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)prop-2-enenitrile","","- C17 H13 Br3 N2 -","- C17 H13 Br3 N2 -","- C68 H52 Br12 N8 -","4","2","KY3133","Tammisetti, Renuka Devi; Kosilkin, Ilya V.; Guzei, Ilia A.; Khrustalev, Victor N.; Dalton, Larry; Timofeeva, Tatiana V.","Z/E-Isomerism of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile: crystal structures and secondary intermolecular interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","69","74","10.1107/S2053229617017648","","","0.71073","MoKα","","0.0626","0.0322","","","0.0732","0.0804","","","","","","0.926","","","","has coordinates","246196","2020-10-21","18:00:00",""
"2311976","9.082","0.002","13.024","0.003","14.266","0.003","90","","101.467","0.003","90","","1653.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Z)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile","(Z)-3-[4-(Dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)prop-2-enenitrile","","- C17 H13 Br3 N2 -","- C17 H13 Br3 N2 -","- C68 H52 Br12 N8 -","4","1","KY3133","Tammisetti, Renuka Devi; Kosilkin, Ilya V.; Guzei, Ilia A.; Khrustalev, Victor N.; Dalton, Larry; Timofeeva, Tatiana V.","Z/E-Isomerism of 3-[4-(dimethylamino)phenyl]-2-(2,4,6-tribromophenyl)acrylonitrile: crystal structures and secondary intermolecular interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 1","69","74","10.1107/S2053229617017648","","","0.71073","MoKα","","0.0484","0.0299","","","0.0691","0.0752","","","","","","1.036","","","","has coordinates","246196","2020-10-21","18:00:00",""
"2311977","9.637","0.003","5.564","0.005","13.763","0.002","90","","103.497","0.006","90","","717.6","0.7","298","","298","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Strontium tungstate","","- O9 Sr3 W2 -","- O9 Sr3 W2 -","- O36 Sr12 W8 -","4","0.5","QP3004","Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya","High-pressure synthesis and crystal structure of the strontium tungstate Sr3W2O9.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","120","124","10.1107/S2053229617017879","","","0.71073","MoKα","","0.0226","0.0175","","","0.0454","0.0481","","","","","","1.18","","","","has coordinates","246197","2020-10-21","18:00:00",""
"2311978","9.627","0.003","5.558","0.005","13.732","0.002","90","","103.514","0.006","90","","714.4","0.7","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Strontium tungstate","","- O9 Sr3 W2 -","- O9 Sr3 W2 -","- O36 Sr12 W8 -","4","0.5","QP3004","Urushihara, Daisuke; Asaka, Toru; Fukuda, Koichiro; Sakurai, Hiroya","High-pressure synthesis and crystal structure of the strontium tungstate Sr3W2O9.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","120","124","10.1107/S2053229617017879","","","0.71073","MoKα","","0.018","0.0156","","","0.0422","0.0432","","","","","","1.01","","","","has coordinates","246197","2020-10-21","18:00:00",""
"2311979","8.5852","0.0002","17.0639","0.0004","5.9883","0.0002","90","","106.936","0.003","90","","839.22","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pentachloropyridine N-oxide","","- C5 Cl5 N O -","- C5 Cl5 N O -","- C20 Cl20 N4 O4 -","4","1","UK3147","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin","N-Oxide-N-oxide interactions and Cl...Cl halogen bonds in pentachloropyridine N-oxide: the many-body approach to interactions in the crystal state.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","113","119","10.1107/S2053229617017922","","","1.54184","CuKα","","0.0364","0.0316","","","0.0816","0.0848","","","","","","1.037","","","","has coordinates","246198","2020-10-21","18:00:00",""
"2311980","5.4214","0.0007","5.4214","0.0007","5.4214","0.0007","90","","90","","90","","159.34","0.04","298","","298","","","","","","","","","4","F m -3 m","-F 4 2 3","225","Ce0.8 Ga0.1 Ho0.1 O1.9","Cerium gadolinium holmium oxide","","- Ce0.8 Gd0.1 Ho0.1 O1.9 -","- Ce0.8 Gd0.1 Ho0.1 O1.9 -","- Ce3.2 Gd0.4 Ho0.4 O7.6 -","4","0.0208333","SK3674","Rahayu, Sri; Forrester, Jennifer S.; Kale, Girish M.; Ghadiri, Mojtaba","Promising solid electrolyte material for an IT-SOFC: crystal structure of the cerium gadolinium holmium oxide Ce0.8Gd0.1Ho0.1O1.9 between 295 and 1023 K.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 2","236","239","10.1107/S2053229617017946","powder diffraction","","1.5418","CuKα","","","","","","","","","","1.19","","","","","","","has coordinates","246227","2020-10-21","18:00:00",""
"2311981","9.637","0.0009","18.0065","0.0018","12.4723","0.0013","90","","109.396","0.003","90","","2041.5","0.4","200","2","200","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-Poly[[tetrakis(pyridine-κN)nickel(II)]-μ-sulfato-κ^2^O:O']","","- C20 H20 N4 Ni O4 S -","- C20 H20 N4 Ni O4 S -","- C80 H80 N16 Ni4 O16 S4 -","4","1","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)xM](SO4) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.044","0.0345","","","0.0848","0.0927","","","","","","1.085","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311982","9.0147","0.0004","18.5456","0.0007","9.6355","0.0004","90","","108.191","0.001","90","","1530.38","0.11","200","2","200.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Di-μ-sulfato-κ^4^O:O-bis[tris(pyridine-κN)copper(II)]","","- C30 H30 Cu2 N6 O8 S2 -","- C30 H30 Cu2 N6 O8 S2 -","- C60 H60 Cu4 N12 O16 S4 -","2","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)xM](SO4) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0264","0.0218","","","0.0524","0.0546","","","","","","1.061","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311983","10.5383","0.001","10.5383","0.001","26.135","0.003","90","","90","","120","","2513.6","0.4","200","2","200","","","","","","","","","6","P 31 2 1","P 31 2""","152","","catena-Poly[[tetrakis(pyridine-κN)zinc(II)]-μ-sulfato-κ^2^O:O'-[bis(pyridine-κN)zinc(II)]-μ-sulfato-κ^2^O:O']","","- C30 H30 N6 O8 S2 Zn2 -","- C30 H30 N6 O8 S2 Zn2 -","- C90 H90 N18 O24 S6 Zn6 -","3","0.5","FN3254","Roy, Mrittika; Pham, Duyen N. K.; Kreider-Mueller, Ava; Golen, James A.; Manke, David R.","First-row transition metal-pyridine (py)-sulfate [(py)xM](SO4) complexes (M = Ni, Cu and Zn): crystal field theory in action.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","263","268","10.1107/S2053229618001547","","","0.71073","MoKα","","0.0196","0.0177","","","0.0445","0.0453","","","","","","1.005","","","","has coordinates","246228","2020-10-21","18:00:00",""
"2311984","15.527","0.0005","7.46802","0.00001","17.0254","0.0005","90","","116.528","0.004","90","","1766.35","0.1","105","2","105","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","3,4-Dimethylpyridine‒3,4-dimethylpyridinium diiodidoaurate(I)","","- C14 H19 Au I2 N2 -","- C14 H19 Au I2 N2 -","- C56 H76 Au4 I8 N8 -","4","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)2H]+·[AuI2]- and of two polymorphs of [(3,4-lut)2H+]2·[AuI2]-·I.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.027","0.0207","","","0.0396","0.0411","","","","","","1.098","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311985","7.7528","0.0002","14.5978","0.0005","14.4806","0.0004","90","","102.552","0.003","90","","1599.66","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)2H]+·[AuI2]- and of two polymorphs of [(3,4-lut)2H+]2·[AuI2]-·I.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0343","0.0265","","","0.0458","0.0482","","","","","","1.034","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311986","7.741","0.0002","14.6209","0.0003","14.0721","0.0006","90","","92.155","0.003","90","","1591.56","0.09","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","Bis(3,4-dimethylpyridine‒3,4-dimethylpyridinium) diiodidoaurate(I) iodide","","- C28 H38 Au I3 N4 -","- C28 H38 Au I3 N4 -","- C56 H76 Au2 I6 N8 -","2","1","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)2H]+·[AuI2]- and of two polymorphs of [(3,4-lut)2H+]2·[AuI2]-·I.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0422","0.0359","","","0.0781","0.0806","","","","","","1.107","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311987","7.1692","0.0003","14.2434","0.0006","14.7445","0.0006","90","","90","","90","","1505.62","0.11","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","Dipyridinegold(I) diiodidoaurate(I)","","- C10 H10 Au2 I2 N2 -","- C10 H10 Au2 I2 N2 -","- C40 H40 Au8 I8 N8 -","4","0.5","KY3135","Döring, Cindy; Sui, Zhihong; Jones, Peter G.","3,4-Lutidinium salts with the diiodidoaurate(I) anion: structure of [(3,4-lut)2H]+·[AuI2]- and of two polymorphs of [(3,4-lut)2H+]2·[AuI2]-·I.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 3","289","294","10.1107/S2053229618002218","","","0.71073","MoKα","","0.0305","0.0251","","","0.0532","0.0555","","","","","","1.072","","","","has coordinates","246229","2020-10-21","18:00:00",""
"2311988","7.252","0.0003","19.7485","0.001","14.0347","0.0006","90","","95.058","0.002","90","","2002.17","0.16","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-1-(2,4-Dinitrophenyl)-2-[(E)-3-(4-methylphenyl)-1-phenylallylidene]hydrazine","","- C22 H18 N4 O4 -","- C22 H18 N4 O4 -","- C88 H72 N16 O16 -","4","1","FN3262","Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine","Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 6","703","714","10.1107/S2053229618006812","","","0.71073","MoKα","","0.0906","0.0556","","","0.1431","0.17","","","","","","1.063","","","","has coordinates","246230","2020-10-21","18:00:00",""
"2311989","7.3922","0.0004","20.9233","0.0014","14.7828","0.0009","90","","100.571","0.002","90","","2247.6","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Z)-1-[(E)-3-(4-Chlorophenyl)-1-(naphthalen-1-yl)allylidene]-2-(2,4-dinitrophenyl)hydrazine","","- C25 H17 Cl N4 O4 -","- C25 H17 Cl N4 O4 -","- C100 H68 Cl4 N16 O16 -","4","1","FN3262","Dammene Debbih, Ouafa; Sid, Assia; Bouchene, Rafika; Bouacida, Sofiane; Mazouz, Wissam; Gherraf, Noureddine","Two hydrazones derived from 1-aryl-3-(p-substituted phenyl)prop-2-en-1-one: synthesis, crystal structure, Hirshfeld surface analysis and in vitro biological properties.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 6","703","714","10.1107/S2053229618006812","","","0.71073","MoKα","","0.0935","0.0525","","","0.1418","0.1665","","","","","","1.022","","","","has coordinates","246230","2020-10-21","18:00:00",""
"2311990","25.1247","0.0008","10.7583","0.0003","18.5442","0.0005","90","","121.835","0.003","90","","4258.5","0.3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","1D-octamolybdate Chain","Tris(triethylaminium) hemi(dopentacontaoxidopotassiohexadecamolybdate) monohydrate","","- C18 H50 K Mo8 N3 O27 -","- C18 H50 K Mo8 N3 O27 -","- C72 H200 K4 Mo32 N12 O108 -","4","0.5","JR3006","Paul, Shounik; Sreejith, S. S.; Roy, Soumyajit","pH-induced phase transition and crystallization of soft-oxometalates (SOMs) into polyoxometalates (POMs): a study on crystallization from colloids.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 11","1274","1283","10.1107/S2053229618007143","","","0.71073","MoKα","","0.0261","0.0229","","","0.0549","0.0564","","","","","","1.063","","","","has coordinates,has disorder","246231","2020-10-21","18:00:00",""
"2311991","10.265","0.0006","8.0342","0.0005","23.4156","0.0013","90","","102.512","0.006","90","","1885.2","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone","(Z)-2-[(E)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","JX3017","Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng","Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 9","1058","1067","10.1107/S2053229618009762","","","0.71073","MoKα","","0.0672","0.0479","","","0.1215","0.1359","","","","","","1.02","","","","has coordinates","246232","2020-10-21","18:00:00",""
"2311992","10.2458","0.0004","8.007","0.0002","23.3695","0.0008","90","","102.461","0.003","90","","1872.03","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-2-((E)-(4-methoxybenzylidene)hydrazono)-1,2-diphenylethanone","(Z)-2-[(E)-(4-Methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C88 H72 N8 O8 -","4","1","JX3017","Tan, Xue Jie; Wang, Di; Lei, Xu Gang; Chen, Jun Peng","Theoretical insight into the disordered structure of (Z)-2-[(E)-(4-methoxybenzylidene)hydrazinylidene]-1,2-diphenylethanone: the role of noncovalent interactions.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 9","1058","1067","10.1107/S2053229618009762","","","0.71073","MoKα","","0.0946","0.0701","","","0.1833","0.2103","","","","","","0.986","","","","has coordinates,has disorder","246232","2020-10-21","18:00:00",""
"2311993","23.1577","0.0011","6.49992","0.00021","6.49067","0.00021","90","","99.6112","0.0029","90","","963.28","0.06","300","","300","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","lithium rubidium hydrogen citrate hydrate","lithium rubidium hydrogen citrate hydrate","","- C6 H8 Li O8 Rb -","- C6 H8 Li O8 Rb -","- C24 H32 Li4 O32 Rb4 -","4","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709319","Kα~1~","","","","","","","","0.06191","","2.22","","","","","","","has coordinates","246233","2020-10-21","18:00:00",""
"2311994","6.5872","0.0008","6.2997","0.0008","9.8321","0.0009","93.898","0.01","106.056","0.009","97.624","0.008","386.27","0.08","300","","300","","","","","","","","","4","P -1","-P 1","2","dilithium hydrogen citrate","","","- C6 H6 Li2 O7 -","- C6 H6 Li2 O7 -","- C12 H12 Li4 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.262","","3.08","","","","","","","has coordinates","246234","2020-10-21","18:00:00",""
"2311995","6.5811","0.0004","6.357","0.0004","9.9389","0.0005","91.762","0.005","104.388","0.005","97.438","0.004","398.52","0.04","300","","300","","","","","","","","","5","P -1","-P 1","2","lithium sodium hydrogen citrate","lithium sodium hydrogen citrate","","- C6 H6 Li Na O7 -","- C6 H6 Li Na O7 -","- C12 H12 Li2 Na2 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.14161","","2.05","","","","","","","has coordinates","246235","2020-10-21","18:00:00",""
"2311996","6.2771","0.0006","6.3166","0.0006","10.8323","0.0006","93.054","0.007","102.747","0.008","96.054","0.004","415.28","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","lithium potassium hydrogen citrate","lithium potassium hydrogen citrate","","- C6 H6 K Li O7 -","- C6 H6 K Li O7 -","- C12 H12 K2 Li2 O14 -","2","1","","Cigler, Andrew J.; Kaduk, James A.","Dilithium (citrate) crystals and their relatives.","Acta crystallographica. Section C, Structural chemistry","2018","74","Pt 10","1160","1170","10.1107/S2053229618012597","powder diffraction","x-ray","0.709237","Kα~1~","","","","","","","","0.07603","","2.36","","","","","","","has coordinates","246236","2020-10-21","18:00:00",""