# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-30T14:24:31+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 'Inorganic Chemistry Frontiers') AND volume = 1 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
"4347997","12.2739","0.0003","10.0375","0.0002","20.7695","0.0006","90","","96.599","0.001","90","","2541.83","0.11","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N P2 Pd -","- C24 H36 Cl N P2 Pd -","- C96 H144 Cl4 N4 P8 Pd4 -","4","1","","Hung, Yu-Ting; Chen, Ming-Tsz; Huang, Mei-Hui; Kao, Ting-Yin; Liu, Yu-Sheng; Liang, Lan-Chang","Catalytic Sonogashira couplings mediated by an amido pincer complex of palladium","Inorganic Chemistry Frontiers","2014","1","5","405","","10.1039/c3qi00086a","","","0.71073","MoKα","","0.0723","0.0442","","","0.1039","0.1209","","","","","","1.004","","","","has coordinates","232628","2020-10-21","18:00:00",""
"4348190","19.497","0.004","10.517","0.002","18.232","0.004","90","","90","","90","","3738.5","1.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C30 H24 Cl11 N2 P Pd -","- C30 H24 Cl11 N2 P Pd -","- C120 H96 Cl44 N8 P4 Pd4 -","4","1","","Frik, Malgorzata; Jiménez, Josefina; Vasilevski, Vadim; Carreira, Monica; de Almeida, Andreia; Gascón, Elena; Benoit, Farrah; Sanaú, Mercedes; Casini, Angela; Contel, María","Luminescent iminophosphorane gold, palladium and platinum complexes as potential anticancer agents.","Inorganic chemistry frontiers","2014","1","3","231","241","10.1039/C4QI00003J","","","0.71073","MoKα","","0.0605","0.0483","","","0.1242","0.1343","","","","","","1.06","","","","has coordinates","232811","2020-10-21","18:00:00",""
"4348191","19.1704","0.0003","10.4373","0.0002","9.3657","0.0001","90","","93.285","0.001","90","","1870.88","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu2 N12 O0 -","- C20 H14 Cu2 N12 -","- C80 H56 Cu8 N48 -","4","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","1.54178","CuKα","","0.0321","0.0286","","","0.0747","0.0772","","","","","","1.045","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348192","13.5477","0.0011","20.56","0.002","8.7151","0.0007","90","","90","","90","","2427.5","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H7 Cu2 I N6 O0 -","- C10 H7 Cu2 I N6 -","- C80 H56 Cu16 I8 N48 -","8","1","","Wen, Tian; Zhang, De-Xiang; Ding, Qing-Rong; Zhang, Hua-Bin; Zhang, Jian","Two luminescent Cu(i) coordination polymers based on the 1-(4-tetrazolephenyl)imidazole ligand for sensing of nitrobenzene","Inorganic Chemistry Frontiers","2014","1","5","389","","10.1039/c4qi00016a","","","0.71073","MoKα","","0.0242","0.0214","","","0.0528","0.0544","","","","","","1.002","","","","has coordinates","232812","2020-10-21","18:00:00",""
"4348210","19.1999","0.001","19.1999","0.001","25.815","0.003","90","","90","","90","","9516.3","1.3","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C27 H7 Mn2 N6 O11 -","- C27 H7 Mn2 N6 O11 -","- C216 H56 Mn16 N48 O88 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1784","0.0896","","","0.2219","0.2723","","","","","","1.047","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348211","10.213","0.002","17.607","0.004","28.123","0.006","90","","98.6","0.03","90","","5000.2","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H7 Co2 N6 O11 -","- C33 H7 Co2 N6 O11 -","- C132 H28 Co8 N24 O44 -","4","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.1462","0.081","","","0.2022","0.2298","","","","","","1.041","","","","has coordinates","232830","2020-10-21","18:00:00",""
"4348212","38.9881","0.001","38.9881","0.001","22.2962","0.0011","90","","90","","120","","29351.2","1.8","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C33 H34 Mn2 N4 O11 -","- C33 H15 Mn2 N4 O11 -","- C594 H270 Mn36 N72 O198 -","18","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0967","0.0445","","","0.068","0.073","","","","","","1.01","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4348213","18.057","0.0003","18.057","0.0003","13.4495","0.0005","90","","90","","90","","4385.28","0.19","296","2","296","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C8.5 H In0.5 N0 O4.5 -","- C8.936 H In0.5 O4.064 -","- C71.488 H8 In4 O32.512 -","8","1","","Sun, Libo; Pan, Qinhe; Liang, Zhiqiang; Yu, Jihong","Four-connected metal‒organic frameworks constructed by tetracarboxylate acid-based ligands","Inorganic Chemistry Frontiers","2014","1","6","478","","10.1039/c4qi00047a","","","0.71073","MoKα","","0.0344","0.0276","","","0.052","0.053","","","","","","1.026","","","","has coordinates,has disorder","232830","2020-10-21","18:00:00",""
"4350721","7.858","0.005","10.508","0.005","11.554","0.005","112.221","0.005","95.625","0.005","105.097","0.005","831.8","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H13 Cd N O4 -","- C21 H13 Cd N O4 -","- C42 H26 Cd2 N2 O8 -","2","1","","Rambabu, Darsi; Pradeep, Chullikkattil P.; Dhir, Abhimanew","Nano dispersion of 3D Cd(ii) coordination polymer: synthetic blood plasma anticoagulant","Inorganic Chemistry Frontiers","2014","1","2","163","","10.1039/c3qi00013c","","","0.71073","MoKα","","0.0539","0.0506","","","0.1342","0.1371","","","","","","1.071","","","","has coordinates","244417","2020-10-21","18:00:00",""
"4350738","19.801","0.007","20.162","0.007","27.225","0.009","97.544","0.005","100.609","0.005","111.627","0.005","9692","6","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C129 H79 N43 O28 Zn9 -","- C129 H79 N43 O28 Zn9 -","- C258 H158 N86 O56 Zn18 -","2","1","","Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai","Design and synthesis of nucleobase-incorporated metal‒organic materials","Inorganic Chemistry Frontiers","2014","1","2","159","","10.1039/c3qi00042g","","","0.71073","MoKα","","0.0836","0.0492","","","0.1221","0.1321","","","","","","1.003","","","","has coordinates","244419","2020-10-21","18:00:00",""
"4350739","27.99","0.003","28.102","0.003","28.303","0.005","109.319","0.002","106.426","0.002","107.182","0.001","18196","4","110","2","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C184 H156 Cu12 N28 O84 -","- C184 H156 Cu12 N28 O84 -","- C368 H312 Cu24 N56 O168 -","2","1","","Zhang, Muwei; Lu, Weigang; Li, Jian-Rong; Bosch, Mathieu; Chen, Ying-Pin; Liu, Tian-Fu; Liu, Yangyang; Zhou, Hong-Cai","Design and synthesis of nucleobase-incorporated metal‒organic materials","Inorganic Chemistry Frontiers","2014","1","2","159","","10.1039/c3qi00042g","","","0.71073","MoKα","","0.1691","0.1014","","","0.2622","0.2841","","","","","","1.006","","","","has coordinates,has disorder","244419","2020-10-21","18:00:00",""
"4350740","8.998","0.0009","7.7962","0.0009","18.1677","0.0018","90","","101.649","0.01","90","","1248.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Co2 N6 O7 -","- C6 H6 Co2 N6 O7 -","- C24 H24 Co8 N24 O28 -","4","1","","Zou, Ji-Yong; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Spin canting and metamagnetism in 3D pillared-layer homospin cobalt(ii) molecular magnetic materials constructed via a mixed ligands approach","Inorganic Chemistry Frontiers","2014","1","3","242","","10.1039/c3qi00045a","","","0.71073","MoKα","","0.0828","0.0634","","","0.1335","0.1427","","","","","","1.104","","","","has coordinates","244420","2020-10-21","18:00:00",""
"4350741","11.4527","0.0014","11.6239","0.0009","11.7754","0.001","64.825","0.008","81.406","0.009","72.316","0.009","1351.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H37.5 Co3 N12 O14.75 -","- C38 H24 Co3 N12 O14.75 -","- C38 H24 Co3 N12 O14.75 -","1","0.5","","Zou, Ji-Yong; Shi, Wei; Gao, Hong-Ling; Cui, Jian-Zhong; Cheng, Peng","Spin canting and metamagnetism in 3D pillared-layer homospin cobalt(ii) molecular magnetic materials constructed via a mixed ligands approach","Inorganic Chemistry Frontiers","2014","1","3","242","","10.1039/c3qi00045a","","","0.71073","MoKα","","0.1183","0.0866","","","0.2442","0.2751","","","","","","1.088","","","","has coordinates,has disorder","244420","2020-10-21","18:00:00",""
"4350742","7.537","0.006","19.877","0.016","6.662","0.005","90","","90","","90","","998.1","1.4","333","2","333","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","0.25","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0289","0.0237","","","0.0571","0.0599","","","","","","1.078","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350743","7.533","0.01","19.4","0.02","6.753","0.009","90","","93.47","0.02","90","","985","2","233","2","233","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C5 H12 Cd Cl3 N -","- C5 H12 Cd Cl3 N -","- C20 H48 Cd4 Cl12 N4 -","4","1","","Zhang, Yi; Ye, Heng-Yun; Zhang, Wen; Xiong, Ren-Gen","Room-temperature ABX3-typed molecular ferroelectric: [C5H9‒NH3][CdCl3]","Inorganic Chemistry Frontiers","2014","1","1","118","","10.1039/c3qi00058c","","","0.71073","MoKα","","0.0342","0.0294","","","0.0728","0.0964","","","","","","1.128","","","","has coordinates","244421","2020-10-21","18:00:00",""
"4350744","5.7782","0.0002","20.4081","0.0008","16.1009","0.0008","90","","94.674","0.001","90","","1892.34","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Ag2 N6 -","- C20 H17 Ag2 N6 -","- C80 H68 Ag8 N24 -","4","1","","Li, Fang; Lin, Rui-Biao; Wei, Yong-Sheng; Liao, Pei-Qin; Bai, Jie; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Metal-ion controlled solid-state reactivity and photoluminescence in two isomorphous coordination polymers","Inorganic Chemistry Frontiers","2014","1","2","172","","10.1039/c3qi00061c","","","0.71073","MoKα","","0.0374","0.0304","","","0.0947","0.1096","","","","","","1.005","","","","has coordinates","244422","2020-10-21","18:00:00",""
"4350745","5.7359","0.0005","20.4488","0.0017","15.4299","0.0013","90","","94.154","0.001","90","","1805.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu2 N6 -","- C20 H17 Cu2 N6 -","- C80 H68 Cu8 N24 -","4","1","","Li, Fang; Lin, Rui-Biao; Wei, Yong-Sheng; Liao, Pei-Qin; Bai, Jie; Xue, Wei; Zhang, Wei-Xiong; Zhang, Jie-Peng; Chen, Xiao-Ming","Metal-ion controlled solid-state reactivity and photoluminescence in two isomorphous coordination polymers","Inorganic Chemistry Frontiers","2014","1","2","172","","10.1039/c3qi00061c","","","0.71073","MoKα","","0.0453","0.0334","","","0.0813","0.1117","","","","","","1.037","","","","has coordinates","244422","2020-10-21","18:00:00",""
"4350749","14.2919","0.0003","16.3158","0.0004","19.0083","0.0004","90","","97.809","0.002","90","","4391.32","0.17","110","","110","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C48 H43 Cl N4 O2 P2 Ru S -","- C48 H43 Cl N4 O2 P2 Ru S -","- C192 H172 Cl4 N16 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.","Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates","Inorganic Chemistry Frontiers","2014","1","4","311","","10.1039/c3qi00070b","","","0.71073","MoKα","","0.0599","0.0345","","","0.0703","0.0737","","","","","","0.919","","","","has coordinates,has disorder","244424","2020-10-21","18:00:00",""
"4350750","14.2779","0.0005","18.0273","0.0006","15.6331","0.0006","90","","103.194","0.004","90","","3917.6","0.3","110","","110","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H39 N3 O2 P2 Ru S -","- C46 H39 N3 O2 P2 Ru S -","- C184 H156 N12 O8 P8 Ru4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Vaishnavi, E.; Rueffer, T.; Lang, H.; Poornima, P.; Renganathan, R.; Vijaya Padma, V.; Natarajan, K.","Synthesis, structure, DNA/protein binding and in vitro cytotoxicity of new ruthenium metallates","Inorganic Chemistry Frontiers","2014","1","4","311","","10.1039/c3qi00070b","","","0.71073","MoKα","","0.0416","0.0282","","","0.0633","0.0652","","","","","","0.92","","","","has coordinates","244424","2020-10-21","18:00:00",""
"4350766","44.5471","0.0008","22.4094","0.0005","22.6423","0.0004","90","","94.056","0.002","90","","22546.6","0.8","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C222 H132 Cl8 N16 O9 Y2 -","- C222 H132 Cl8 N16 O9 Y2 -","- C888 H528 Cl32 N64 O36 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1337","0.1255","","","0.3459","0.3718","","","","","","1.156","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350767","44.5558","0.0012","22.3269","0.0015","22.6969","0.0006","90","","94.091","0.002","90","","22521.2","1.7","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C200 H104 Cl8 Dy2 N16 O8 -","- C200 H104 Cl8 Dy2 N16 O8 -","- C800 H416 Cl32 Dy8 N64 O32 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.2652","0.1572","","","0.3444","0.4655","","","","","","1.451","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350768","44.5179","0.0006","22.3153","0.0003","22.6523","0.0002","90","","94.209","0.001","90","","22442.8","0.5","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C242 H151 Cl8 N16 O8 Y2 -","- C242 H151 Cl8 N16 O8 Y2 -","- C968 H604 Cl32 N64 O32 Y8 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54178","CuKα","","0.109","0.1046","","","0.3018","0.316","","","","","","1.211","","","","has coordinates","244428","2020-10-21","18:00:00",""
"4350769","44.4004","0.001","22.26","0.0006","22.6346","0.0004","90","","94.147","0.002","90","","22312.4","0.9","123","2","123","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C201 H108 Cl8 Dy2 N16 O9 -","- C201 H106 Cl9 Dy2 N16 O9 -","- C804 H424 Cl36 Dy8 N64 O36 -","4","1","","Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang","Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs","Inorganic Chemistry Frontiers","2014","1","2","167","","10.1039/c3qi00097d","","","1.54184","CuKα","","0.1388","0.1141","","","0.3094","0.3329","","","","","","1.064","","","","has coordinates,has disorder","244428","2020-10-21","18:00:00",""