# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T12:33:57+01:00
# 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 'J. Mater. Chem. A') AND volume = 2 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
"7235381","7.3742","0.0003","11.4011","0.0006","11.6706","0.0006","89.666","0.004","76.813","0.004","74.971","0.004","921.16","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H36 Mg5 O33 -","- C20 H26 Mg5 O33 -","- C20 H26 Mg5 O33 -","1","0.5","","Wu, Zhao-Feng; Tan, Bin; Feng, Mei-Ling; Lan, An-Jian; Huang, Xiao-Ying","A magnesium MOF as a sensitive fluorescence sensor for CS2 and nitroaromatic compounds","J. Mater. Chem. A","2014","2","18","6426","","10.1039/C3TA15071B","","","0.71073","MoKα","","0.0454","0.0366","","","0.076","0.0779","","","","","","1.001","","","","has coordinates","232719","2020-10-21","18:00:00",""
"7235735","52.5078","0.0017","52.5078","0.0017","52.5078","0.0017","90","","90","","90","","144768","8","100","2","100","2","","","","","","","","4","F m -3 c","-F 4a 2 3","226","","","","- C18 H12 Cu3 O15 -","- C4.58824 H0.806723 Cu0.554622 O2.01681 -","- C4368 H768 Cu528 O1920 -","952","4.95833","","Ahmed, Adham; Hodgson, Nicola; Barrow, Michael; Clowes, Rob; Robertson, Craig M.; Steiner, Alexander; McKeown, Paul; Bradshaw, Darren; Myers, Peter; Zhang, Haifei","Macroporous metal‒organic framework microparticles with improved liquid phase separation","J. Mater. Chem. A","2014","2","24","9085","","10.1039/C4TA00138A","","","0.71073","MoKα","","0.1571","0.1048","","","0.3435","0.3938","","","","","","2.537","","","","has coordinates","233281","2020-10-21","18:00:00",""
"7235738","32.3006","0.0007","32.3006","0.0007","7.2707","0.0002","90","","90","","120","","6569.4","0.3","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.1109","0.0936","","","0.1934","0.2003","","","","","","1.138","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235739","32.182","0.002","32.182","0.002","7.2741","0.0004","90","","90","","120","","6524.3","0.7","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.2002","0.1676","","","0.4097","0.4309","","","","","","1.299","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235740","32.2297","0.0013","32.2297","0.0013","7.2618","0.0004","90","","90","","120","","6532.6","0.5","294","2","294","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- C18 H11 In O7 -","- C18 H11 In O7 -","- C108 H66 In6 O42 -","6","0.25","","Du, Miao; Chen, Min; Yang, Xiao-Gang; Wen, Jiong; Wang, Xi; Fang, Shao-Ming; Liu, Chun-Sen","A channel-type mesoporous In(iii)‒carboxylate coordination framework with high physicochemical stability for use as an electrode material in supercapacitors","J. Mater. Chem. A","2014","2","25","9828","","10.1039/C4TA00963K","","","1.54178","CuKα","","0.1687","0.1063","","","0.2962","0.341","","","","","","1.039","","","","has coordinates","233285","2020-10-21","18:00:00",""
"7235741","12.4915","0.0011","8.6489","0.0007","22.5002","0.0019","90","","90.477","0.003","90","","2430.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Cl2 Hg2 N4 O18 S2 -","- C40 H58 Cl2 Hg2 N4 O18 S2 -","- C80 H116 Cl4 Hg4 N8 O36 S4 -","2","0.5","","López, Kenia A.; Piña, M. Nieves; Quiñonero, David; Ballester, Pablo; Morey, Jeroni","Highly efficient coordination of Hg2+and Pb2+metals in water with squaramide-coated Fe3O4nanoparticles","J. Mater. Chem. A","2014","2","23","8796","","10.1039/C4TA00990H","","","0.71073","MoKα","","0.064","0.0365","","","0.0821","0.091","","","","","","1.101","","","","has coordinates,has disorder","233286","2020-10-21","18:00:00",""
"7235744","7.8761","0.0006","10.7803","0.0008","31.713","0.002","94.262","0.003","93.003","0.003","90.461","0.004","2681.3","0.3","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 N3 O2 S3 -","- C28 H31 N3 O2 S3 -","- C112 H124 N12 O8 S12 -","4","2","","Li, Hairong; Sun, Shuangyong; Mhaisalkar, Subodh; Zin, Melvin T.; Lam, Yeng Ming; Grimsdale, Andrew C.","A high voltage solar cell using a donor‒acceptor conjugated polymer based on pyrrolo[3,4-f]-2,1,3-benzothiadiazole-5,7-dione","J. Mater. Chem. A","2014","2","42","17925","","10.1039/C4TA01248H","","","0.71073","MoKα","","0.1355","0.0703","","","0.0808","0.0878","","","","3.49","3.49","2.73","","","","has coordinates","233290","2020-10-21","18:00:00",""
"7235745","6.473","0.0013","7.97","0.0016","10.577","0.002","101.69","0.03","102.84","0.03","105.7","0.03","491.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Mn2 N2 O10 -","- C16 H24 Mn2 N2 O10 -","- C16 H24 Mn2 N2 O10 -","1","0.5","","Lee, Jae Hwa; Sa, Young Jin; Kim, Tae Kyung; Moon, Hoi Ri; Joo, Sang Hoon","A transformative route to nanoporous manganese oxides of controlled oxidation states with identical textural properties","J. Mater. Chem. A","2014","2","27","10435","","10.1039/C4TA01272K","","","0.69999","MoKα","","0.0384","0.0379","","","0.1079","0.1082","","","","","","1.093","","","","has coordinates","233292","2020-10-21","18:00:00",""
"7235751","8.451","0.006","9.412","0.007","13.827","0.01","90","","106.097","0.006","90","","1056.7","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5,10-di(butyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C22 H20 O2 S4 -","- C22 H20 O2 S4 -","- C44 H40 O4 S8 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.0613","0.0475","","","0.1268","0.1398","","","","","","1.051","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235752","8.568","0.01","17.79","0.02","9.479","0.011","90","","99.479","0.012","90","","1425","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5,10-Di(octyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C30 H38 N0 O2 S4 -","- C30 H38 O2 S4 -","- C60 H76 O4 S8 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.058","0.0391","","","0.0928","0.1083","","","","","","1.071","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235753","7.507","0.004","9.506","0.005","13.155","0.007","81.79","0.006","76.147","0.006","89.255","0.006","901.9","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","5,10-di(dodecyloxy)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene","","- C38 H54 O2 S4 -","- C38 H54 O2 S4 -","- C38 H54 O2 S4 -","1","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.0934","0.0631","","","0.1481","0.1592","","","","","","1.292","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235754","6.33","0.004","21.41","0.014","9.618","0.007","90","","103.021","0.007","90","","1270","1.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5,10-bis(trimethylsilylethynyl)dithieno[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']di- thiophene","","- C24 H22 S4 Si2 -","- C24 H22 S4 Si2 -","- C48 H44 S8 Si4 -","2","0.5","","Sun, Shuo; Zhang, Peng; Li, Jianfeng; Li, Yuanke; Wang, Jianlu; Zhang, Shujiang; Xia, Yangjun; Meng, Xiangjian; Fan, Duowang; Chu, Junhao","Synthetically controlling the optoelectronic properties of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-alt-diketopyrrolopyrrole-conjugated polymers for efficient solar cells","J. Mater. Chem. A","2014","2","37","15316","","10.1039/C4TA01632G","","","0.71073","MoKα","","0.1166","0.0657","","","0.1178","0.1412","","","","","","1.197","","","","has coordinates","233295","2020-10-21","18:00:00",""
"7235757","13.673","0.005","13.673","0.005","22.794","0.005","90","0.005","90","0.005","90","0.005","4261","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C8 H6 N6 O4 Zn2 -","- C8 H6 N6 O4 Zn2 -","- C64 H48 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0429","0.0322","","","0.0916","0.0954","","","","","","1.027","","","","has coordinates","233299","2020-10-21","18:00:00",""
"7235758","13.53","0.005","13.53","0.005","27.172","0.005","90","","90","","90","","4974","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C12 H8 N7 O4 Zn2 -","- C12 H8 N7 O4 Zn2 -","- C96 H64 N56 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0506","0.0414","","","0.1524","0.1583","","","","","","1.087","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235759","13.635","0.005","13.635","0.005","27.026","0.005","90","","90","","90","","5024","3","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C12 H6.5 Br N6 O4 Zn2 -","- C12 H6.5 Br N6 O4 Zn2 -","- C96 H52 Br8 N48 O32 Zn16 -","8","1","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.1051","0.0855","","","0.2752","0.293","","","","","","1.165","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235760","13.794","0.005","13.794","0.005","27.262","0.005","90","","90","","90","","5187","3","293","2","293","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C16 H10 N6 O4 Zn2 -","- C16 H10 N6 O4 Zn2 -","- C128 H80 N48 O32 Zn16 -","8","0.5","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0987","0.0792","","","0.1954","0.2037","","","","","","1.094","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235761","13.628","0.005","13.644","0.005","19.08","0.005","109.41","","91.29","","90.88","","3344.3","1.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 N6 O5 Zn2 -","- C18 H12 N6 O5 Zn2 -","- C72 H48 N24 O20 Zn8 -","4","2","","Hu, Xiao-Li; Liu, Fu-Hong; Wang, Hai-Ning; Qin, Chao; Sun, Chun-Yi; Su, Zhong-Min; Liu, Fu-Chen","Controllable synthesis of isoreticular pillared-layer MOFs: gas adsorption, iodine sorption and sensing small molecules","J. Mater. Chem. A","2014","2","36","14827","","10.1039/C4TA01749H","","","0.71073","MoKα","","0.0788","0.0558","","","0.1338","0.14","","","","","","1.038","","","","has coordinates,has disorder","233299","2020-10-21","18:00:00",""
"7235770","20.2644","0.0006","19.1216","0.0007","26.8248","0.0008","90","","101.184","0.003","90","","10196.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H37 N4 O15.5 Zn3 -","- C48 H21.5 N4 O15.5 Zn3 -","- C384 H172 N32 O124 Zn24 -","8","1","","Kong, Lidan; Zou, Ruyi; Bi, Wenzhu; Zhong, Ruiqin; Mu, Weijun; Liu, Jia; Han, Ray P. S.; Zou, Ruqiang","Selective adsorption of CO2/CH4 and CO2/N2 within a charged metal‒organic framework","J. Mater. Chem. A","2014","2","42","17771","","10.1039/C4TA01993H","","","0.71073","MoKα","","0.1363","0.0786","","","0.2165","0.2532","","","","","","1.021","","","","has coordinates","233310","2020-10-21","18:00:00",""
"7235771","20.2644","0.0006","19.1216","0.0007","26.8248","0.0008","90","","101.184","0.003","90","","10196.9","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H21.5 N2 O15 Zn3 -","- C43.5 H21.5 N2 O15 Zn3 -","- C348 H172 N16 O120 Zn24 -","8","1","","Kong, Lidan; Zou, Ruyi; Bi, Wenzhu; Zhong, Ruiqin; Mu, Weijun; Liu, Jia; Han, Ray P. S.; Zou, Ruqiang","Selective adsorption of CO2/CH4 and CO2/N2 within a charged metal‒organic framework","J. Mater. Chem. A","2014","2","42","17771","","10.1039/C4TA01993H","","","0.71073","MoKα","","0.1079","0.0622","","","0.1563","0.1729","","","","","","0.967","","","","has coordinates","233310","2020-10-21","18:00:00",""
"7235773","27.72","0.006","5.806","0.0012","7.553","0.0015","90","","92.7","0.03","90","","1214.2","0.4","95","2","95","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Na2 O5 -","- C14 H8 Na2 O5 -","- C56 H32 Na8 O20 -","4","1","","Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri","4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries","J. Mater. Chem. A","2014","2","36","14986","","10.1039/C4TA02424A","","","0.64999","","","0.0374","0.035","","","0.0982","0.0997","","","","","","1.026","","","","has coordinates","233314","2020-10-21","18:00:00",""
"7235774","3.655","0.0007","11.214","0.002","12.985","0.003","89.55","0.03","84.39","0.03","88.78","0.03","529.54","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 N0 Na O4 -","- C14 H9 Na O4 -","- C28 H18 Na2 O8 -","2","1","","Choi, Aram; Kim, Yun Kyeong; Kim, Tae Kyung; Kwon, Mi-Sook; Lee, Kyu Tae; Moon, Hoi Ri","4,4′-Biphenyldicarboxylate sodium coordination compounds as anodes for Na-ion batteries","J. Mater. Chem. A","2014","2","36","14986","","10.1039/C4TA02424A","","","0.69999","","","0.0748","0.0623","","","0.172","0.1859","","","","","","1.002","","","","has coordinates","233314","2020-10-21","18:00:00",""
"7235775","16.182","0.003","9.47","0.0019","16.361","0.003","90","","111.28","0.03","90","","2336.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 Co3 N4 O16 -","- C36 H40 Co3 N4 O16 -","- C72 H80 Co6 N8 O32 -","2","0.5","","Lee, Kyung Joo; Kim, Tae-Hee; Kim, Tae Kyung; Lee, Jae Hwa; Song, Hyun-Kon; Moon, Hoi Ri","Preparation of Co3O4 electrode materials with different microstructures via pseudomorphic conversion of Co-based metal‒organic frameworks","J. Mater. Chem. A","2014","2","35","14393","","10.1039/C4TA02501F","","","0.70002","","","0.1174","0.0801","","","0.216","0.2357","","","","","","0.962","","","","has coordinates","233315","2020-10-21","18:00:00",""
"7235776","7.3489","0.0015","10.969","0.002","16.002","0.003","72.51","0.03","78.52","0.03","73.12","0.03","1168.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Co2 O10 S2 -","- C20 H20 Co2 O10 S2 -","- C40 H40 Co4 O20 S4 -","2","1","","Lee, Kyung Joo; Kim, Tae-Hee; Kim, Tae Kyung; Lee, Jae Hwa; Song, Hyun-Kon; Moon, Hoi Ri","Preparation of Co3O4 electrode materials with different microstructures via pseudomorphic conversion of Co-based metal‒organic frameworks","J. Mater. Chem. A","2014","2","35","14393","","10.1039/C4TA02501F","","","0.71073","MoKα","","0.175","0.1242","","","0.3121","0.3591","","","","","","1.183","","","","has coordinates","233315","2020-10-21","18:00:00",""
"7235777","5.186","0.002","7.387","0.003","8.416","0.004","109.629","0.004","96.52","0.006","94.311","0.007","299.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H12 Cl2 N10 O2 -","- C4 H12 Cl2 N10 O2 -","- C4 H12 Cl2 N10 O2 -","1","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.0402","0.0323","","","0.068","0.071","","","","","","1.002","","","","has coordinates","233317","2020-10-21","18:00:00",""
"7235778","7.2555","0.0015","8.827","0.0018","9.796","0.002","90","","105.7","0.03","90","","604","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N12 O6 -","- C4 H8 N12 O6 -","- C8 H16 N24 O12 -","2","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.0592","0.048","","","0.1294","0.1391","","","","","","1.036","","","","has coordinates","233317","2020-10-21","18:00:00",""
"7235779","5.854","0.004","8.13","0.005","10.65","0.007","109.96","0.03","96.98","0.04","100.02","0.03","460.1","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H8 N8 O2 -","- C6 H8 N8 O2 -","- C12 H16 N16 O4 -","2","1","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71073","MoKα","","0.1082","0.0551","","","0.0919","0.1052","","","","","","1.001","","","","has coordinates,has disorder","233317","2020-10-21","18:00:00",""
"7235780","4.9462","0.0009","7.1522","0.0017","9.503","0.002","97.491","0.007","94.118","0.008","99.293","0.008","327.45","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H8 Cl2 N10 O8 -","- C4 H8 Cl2 N10 O8 -","- C4 H8 Cl2 N10 O8 -","1","0.5","","Liu, Wei; Li, Sheng-hua; Li, Yu-chuan; Yang, Yu-zhang; Yu, Yi; Pang, Si-ping","Nitrogen-rich salts based on polyamino substituted N,N′-azo-1,2,4-triazole: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","38","15978","","10.1039/C4TA03016H","","","0.71075","MoKα","","0.033","0.0301","","","0.0857","0.0868","","","","","","1.054","","","","has coordinates","233317","2020-10-21","18:00:00",""
"7235781","8.1663","0.0009","9.5042","0.001","9.8518","0.0011","109.251","0.001","93.241","0.001","115.054","0.001","636.53","0.12","140","1","140","1","","","","","","","","7","P -1","-P 1","2","","","","- C7 H15 B F3 N3 O3 S -","- C7 H15 B F3 N3 O3 S -","- C14 H30 B2 F6 N6 O6 S2 -","2","1","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.0342","0.0311","","","0.0815","0.0839","","","","","","1.049","","","","has coordinates","233318","2020-10-21","18:00:00",""
"7235782","8.954","0.005","11.908","0.007","18.248","0.01","108.424","0.008","99.976","0.007","93.421","0.007","1804.4","1.8","140","1","140","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H25 Cl N3 Si2 -","- C12 H25 Cl N3 Si2 -","- C48 H100 Cl4 N12 Si8 -","4","2","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.1726","0.1061","","","0.2971","0.3351","","","","","","1.085","","","","has coordinates,has disorder","233318","2020-10-21","18:00:00",""
"7235783","10.2973","0.0011","13.2211","0.0014","8.8908","0.0009","90","","112.762","0.001","90","","1116.1","0.2","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H15 Cl2 N3 -","- C7 H15 Cl2 N3 -","- C28 H60 Cl8 N12 -","4","1","","Rekken, B. D.; Carre-Burritt, A. E.; Scott, B. L.; Davis, B. L.","N-substituted amine-borane ionic liquids as fluid phase, hydrogen storage materials","J. Mater. Chem. A","2014","2","39","16507","","10.1039/C4TA03853C","","","0.71073","MoKα","","0.0356","0.0283","","","0.0653","0.0682","","","","","","1.068","","","","has coordinates","233318","2020-10-21","18:00:00",""
"7235784","7.41851","0.00017","40.3306","0.0011","11.5514","0.0003","90","","99.732","0.002","90","","3406.36","0.15","143.05","0.1","143.05","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 N2 O4 -","- C40 H36 N2 O4 -","- C160 H144 N8 O16 -","4","1","","Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun","Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes","J. Mater. Chem. A","2014","2","43","18313","","10.1039/C4TA03859B","","","0.71073","MoKα","","0.0666","0.0561","","","0.146","0.1524","","","","","","1.061","","","","has coordinates,has disorder","233320","2020-10-21","18:00:00",""
"7235785","13.6013","0.0007","15.386","0.0006","15.6472","0.0009","90","","109.803","0.004","90","","3080.8","0.3","140","2","140.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H38 N2 O4 -","- C40 H38 N2 O4 -","- C160 H152 N8 O16 -","4","1","","Yang, Lin; Yang, Qianqian; Yang, Daobin; Luo, Qian; Zhu, Youqin; Huang, Yan; Zhao, Suling; Lu, Zhiyun","Marked effects of indolyl vs. indolinyl substituent on solid-state structure, carrier mobility and photovoltaic efficiency of asymmetrical squaraine dyes","J. Mater. Chem. A","2014","2","43","18313","","10.1039/C4TA03859B","","","1.54178","CuKα","","0.1119","0.0777","","","0.2034","0.2364","","","","","","1.02","","","","has coordinates,has disorder","233320","2020-10-21","18:00:00",""
"7235786","7.124","0.002","8.642","0.003","10.941","0.004","100.173","0.002","106.167","0.004","102.307","0.004","611.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H6 N10 O8 -","- C6 H6 N10 O8 -","- C12 H12 N20 O16 -","2","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0621","0.0422","","","0.098","0.1067","","","","","","1.001","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235787","13.012","0.003","6.3771","0.0012","19.435","0.004","90","","90.668","0.002","90","","1612.6","0.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N15 O8 -","- C8 H9 N15 O8 -","- C32 H36 N60 O32 -","4","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0443","0.0392","","","0.1017","0.1062","","","","","","1.003","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235788","10.6525","0.0018","10.1569","0.0017","11.3404","0.0019","90","","96.259","0.002","90","","1219.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 N10 O8 -","- C6 H4 N10 O8 -","- C24 H16 N40 O32 -","4","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0708","0.0561","","","0.1406","0.1517","","","","","","1","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235789","30.534","0.007","9.1162","0.0019","12.213","0.003","90","","107.504","0.003","90","","3242.1","1.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 N14 O8 -","- C7 H10 N14 O8 -","- C56 H80 N112 O64 -","8","1","","Li, Chuan; Liang, Lixuan; Wang, Kai; Bian, Chengming; Zhang, Jun; Zhou, Zhiming","Polynitro-substituted bispyrazoles: a new family of high-performance energetic materials","J. Mater. Chem. A","2014","2","42","18097","","10.1039/C4TA03865G","","","0.71073","MoKα","","0.0632","0.0476","","","0.125","0.1385","","","","","","1.001","","","","has coordinates","233322","2020-10-21","18:00:00",""
"7235790","14.9","0.004","24.324","0.006","16.253","0.006","90","","113.233","0.004","90","","5413","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H25.5 N3.5 O6.5 Zn -","- C27.5 H25.5 N3.5 O6.5 Zn -","- C220 H204 N28 O52 Zn8 -","8","1","","Masoomi, Mohammad Yaser; Beheshti, Saeideh; Morsali, Ali","Mechanosynthesis of new azine-functionalized Zn(ii) metal‒organic frameworks for improved catalytic performance","J. Mater. Chem. A","2014","2","40","16863","","10.1039/C4TA04001E","","","0.71073","MoKα","","0.1083","0.078","","","0.2189","0.2387","","","","","","1.161","","","","has coordinates,has disorder","233324","2020-10-21","18:00:00",""
"7235791","10.7461","0.0002","20.0351","0.0004","21.4593","0.0004","90","","92.389","0.001","90","","4616.15","0.15","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49.28 H42.28 Cl1.45 N2.28 O P4 Se2 -","- C49.2684 H42.2968 Cl1.4568 N2.27 O P4 Se2 -","- C197.074 H169.187 Cl5.8272 N9.08 O4 P16 Se8 -","4","0.5","","Akhtar, Masood; Malik, Mohammad Azad; Raftery, James; O'Brien, Paul","Synthesis of iron selenide nanocrystals and thin films from bis(tetraisopropyldiselenoimidodiphosphinato)iron(ii) and bis(tetraphenyldiselenoimidodiphosphinato)iron(ii) complexes","J. Mater. Chem. A","2014","2","48","20612","","10.1039/C4TA04054F","","","1.54178","CuKα","","0.0317","0.0283","","","0.0737","0.0757","","","","","","1.063","","","","has coordinates,has disorder","233326","2020-10-21","18:00:00",""
"7235792","10.0919","0.0005","12.9751","0.0006","18.0953","0.0008","89.753","0.003","82.344","0.002","77.988","0.002","2296.25","0.19","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 Fe N2 P4 Se4 -","- C48 H40 Fe N2 P4 Se4 -","- C96 H80 Fe2 N4 P8 Se8 -","2","1","","Akhtar, Masood; Malik, Mohammad Azad; Raftery, James; O'Brien, Paul","Synthesis of iron selenide nanocrystals and thin films from bis(tetraisopropyldiselenoimidodiphosphinato)iron(ii) and bis(tetraphenyldiselenoimidodiphosphinato)iron(ii) complexes","J. Mater. Chem. A","2014","2","48","20612","","10.1039/C4TA04054F","","","1.54178","CuKα","","0.0661","0.0589","","","0.1703","0.1781","","","","","","1.565","","","","has coordinates","233326","2020-10-21","18:00:00",""
"7235796","30.5557","0.0017","30.5557","0.0017","30.5557","0.0017","90","","90","","90","","28528","3","183","2","183","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C320 H234 N8 O125 Zn32 -","- C288 H144 O104 Zn32 -","- C288 H144 O104 Zn32 -","1","0.00520833","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.2245","0.1443","","","0.339","0.3752","","","","","","1.123","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7235797","16.052","0.005","21.172","0.005","9.625","0.005","90","0.005","90","0.005","90","0.005","3271","2","153","2","153","2","","","","","","","","5","C m m m","-C 2 2","65","","","","- C15 H12 N O4 Zn -","- C15 H12 N O4 Zn -","- C60 H48 N4 O16 Zn4 -","4","0.25","","Barman, Samir; Khutia, Anupam; Koitz, Ralph; Blacque, Olivier; Furukawa, Hiroyasu; Iannuzzi, Marcella; Yaghi, Omar M.; Janiak, Christoph; Hutter, Jürg; Berke, Heinz","Synthesis and hydrogen adsorption properties of internally polarized 2,6-azulenedicarboxylate based metal‒organic frameworks","J. Mater. Chem. A","2014","2","44","18823","","10.1039/C4TA04393F","","","0.71073","MoKα","","0.0799","0.072","","","0.2116","0.2145","","","","","","1.086","","","","has coordinates","233330","2020-10-21","18:00:00",""
"7235798","17.3863","0.0012","17.9923","0.0011","10.7535","0.0007","90","","125.455","0.005","90","","2740.1","0.4","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H36 N12 O36 Tb2 Zn3 -","- C30 H36 N12 O36 Tb2 Zn3 -","- C60 H72 N24 O72 Tb4 Zn6 -","2","0.25","","Zhang, Huan; Ma, Jiangong; Chen, Diming; Zhou, Jingmin; Zhang, Shaowei; Shi, Wei; Cheng, Peng","Microporous heterometal‒organic framework as a sensor for BTEX with high selectivity","J. Mater. Chem. A","2014","2","48","20450","","10.1039/C4TA04396K","","","0.71073","MoKα","","0.0274","0.0252","","","0.067","0.0684","","","","","","1.046","","","","has coordinates","233332","2020-10-21","18:00:00",""
"7235799","17.3855","0.0015","17.8778","0.0017","10.7117","0.0008","90","","125.437","0.006","90","","2712.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H36 Co3 N12 O36 Tb2 -","- C30 H36 Co3 N12 O36 Tb2 -","- C60 H72 Co6 N24 O72 Tb4 -","2","0.25","","Zhang, Huan; Ma, Jiangong; Chen, Diming; Zhou, Jingmin; Zhang, Shaowei; Shi, Wei; Cheng, Peng","Microporous heterometal‒organic framework as a sensor for BTEX with high selectivity","J. Mater. Chem. A","2014","2","48","20450","","10.1039/C4TA04396K","","","0.71073","MoKα","","0.0713","0.0527","","","0.1288","0.1552","","","","","","1.101","","","","has coordinates","233332","2020-10-21","18:00:00",""
"7235801","7.2312","0.0001","10.8165","0.0002","19.6313","0.0014","90","","92.125","0.007","90","","1534.43","0.12","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cl2 Mg2 O6 -","- C28 H42 Cl2 Mg2 O6 -","- C56 H84 Cl4 Mg4 O12 -","2","0.5","","Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.","A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion","J. Mater. Chem. A","2014","2","43","18194","","10.1039/C4TA04625K","","","1.54178","CuKα","","0.0463","0.0436","","","0.1229","0.1257","","","","","","1.139","","","","has coordinates","233337","2020-10-21","18:00:00",""
"7235802","12.8707","0.0007","19.0698","0.0004","12.8991","0.0007","90","","102.113","0.004","90","","3095.5","0.3","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H78 Cl2 Mg4 O12 -","- C60.0008 H78.0016 Cl2 Mg4 O12.0002 -","- C120.002 H156.003 Cl4 Mg8 O24.0004 -","2","0.5","","Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.","A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion","J. Mater. Chem. A","2014","2","43","18194","","10.1039/C4TA04625K","","","1.54178","CuKα","","0.0358","0.0343","","","0.0915","0.0927","","","","","","1.053","","","","has coordinates,has disorder","233337","2020-10-21","18:00:00",""
"7235803","5.3336","0.0013","7.9688","0.0019","25.494","0.006","90","","94.454","0.003","90","","1080.3","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-di-nitro-NNO-azoxytoluene","","- C7 H6 N6 O6 -","- C7 H6 N6 O6 -","- C28 H24 N24 O24 -","4","1","","Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping","A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives","J. Mater. Chem. A","2014","2","48","20806","","10.1039/C4TA04716H","","","0.71073","MoKα","","0.049","0.0393","","","0.0996","0.1061","","","","","","0.999","","","","has coordinates","233339","2020-10-21","18:00:00",""
"7235804","5.2932","0.0015","29.236","0.008","6.907","0.002","90","","98.746","0.004","90","","1056.4","0.5","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-dinitro-4-nitro-NNO-azoxytoluene","","- C7 H5 N5 O7 -","- C7 H5 N5 O7 -","- C28 H20 N20 O28 -","4","1","","Wang, Yuan; Li, Shenghua; Li, Yuchuan; Zhang, Rubo; Wang, Dong; Pang, Siping","A comparative study of the structure, energetic performance and stability of nitro-NNO-azoxy substituted explosives","J. Mater. Chem. A","2014","2","48","20806","","10.1039/C4TA04716H","","","0.71073","MoKα","","0.0593","0.0461","","","0.1185","0.129","","","","","","1.003","","","","has coordinates","233339","2020-10-21","18:00:00",""
"7235805","21.625","0.003","10.006","0.0013","14.057","0.0017","90","","91.401","0.007","90","","3040.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Yttrium carboxylate","","","- C30 H30 N0 O15 Y2 -","- C30 H30 O15 Y2 -","- C120 H120 O60 Y8 -","4","1","","Singha, Debal Kanti; Bhattacharya, Saurav; Majee, Prakash; Mondal, Sudip Kumar; Kumar, Manoranjan; Mahata, Partha","Optical detection of submicromolar levels of nitro explosives by a submicron sized metal‒organic phosphor material","J. Mater. Chem. A","2014","2","48","20908","","10.1039/C4TA05014B","","","0.71073","MoKα","","0.0905","0.0462","","","0.0815","0.094","","","","","","0.999","","","","has coordinates","233341","2020-10-21","18:00:00",""
"7239550","12.949","0.005","13.869","0.005","27.972","0.005","104.315","0.005","98.301","0.005","94.349","0.005","4784","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H34 Eu4 N2 O34 -","- C66 H34 Eu4 N2 O34 -","- C132 H68 Eu8 N4 O68 -","2","1","","Hao, Zhaomin; Yang, Guocheng; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Song, Shuyan; Zhang, Hongjie","A europium(iii) based metal‒organic framework: bifunctional properties related to sensing and electronic conductivity","J. Mater. Chem. A","2014","2","1","237","","10.1039/C3TA13179C","","","0.71069","MoKα","","0.0323","0.0275","","","0.0723","0.0744","","","","","","1.055","","","","has coordinates","244765","2020-10-21","18:00:00",""
"7239556","25.7369","0.0005","25.7369","0.0005","61.601","0.002","90","","90","","120","","35337.1","1.5","113","2","113","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C402 H338 Cd17 N2 O116 -","- C401.94 H337.86 Cd17 N1.98 O115.98 -","- C1205.82 H1013.58 Cd51 N5.94 O347.94 -","3","0.166667","","Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He","A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives","J. Mater. Chem. A","2014","2","5","1465","","10.1039/C3TA13983B","","","0.71073","MoKα","","0.0539","0.0492","","","0.1254","0.1278","","","","","","1.026","","","","has coordinates,has disorder","244768","2020-10-21","18:00:00",""
"7239558","10.217","0.002","10.362","0.002","18.118","0.004","102.53","0.03","99.35","0.03","93.79","0.03","1837.3","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 Cd N5 O14 -","- C31 H41 Cd N5 O14 -","- C62 H82 Cd2 N10 O28 -","2","1","","Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue","Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands","J. Mater. Chem. A","2014","2","7","2213","","10.1039/C3TA14199C","","","0.71073","MoKα","","0.0963","0.0706","","","0.1494","0.1599","","","","","","1.098","","","","has coordinates","244770","2020-10-21","18:00:00",""
"7239559","10.004","0.002","10.293","0.002","17.914","0.004","103.66","0.03","99.58","0.03","93.45","0.03","1757.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H41 N5 O14 Zn -","- C31 H41 N5 O14 Zn -","- C62 H82 N10 O28 Zn2 -","2","1","","Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue","Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands","J. Mater. Chem. A","2014","2","7","2213","","10.1039/C3TA14199C","","","0.71073","MoKα","","0.109","0.0678","","","0.1302","0.1461","","","","","","1.069","","","","has coordinates","244770","2020-10-21","18:00:00",""
"7239563","13.019","0.003","15.518","0.003","14.001","0.003","90","","110.76","0.03","90","","2645","1.1","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-methyl-N-propylpiperidinium hexafluorophosphate","1-methyl-1-propylpiperidinium hexafluorophosphate","","- C9 H20 F6 N P -","- C9 H20 F6.039 N P -","- C72 H160 F48.312 N8 P8 -","8","2","","Murugesan, Sankaran; Quintero, Oliver A.; Chou, Brendan P.; Xiao, Penghao; Park, Kyusung; Hall, Justin W.; Jones, Richard A.; Henkelman, Graeme; Goodenough, John B.; Stevenson, Keith J.","Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries","J. Mater. Chem. A","2014","2","7","2194","","10.1039/C3TA15010K","","x-ray","0.710747","MoKα","","0.0642","0.0482","","","0.1128","0.1218","","","","","","1.099","","","","has coordinates,has disorder","244773","2020-10-21","18:00:00",""
"7239567","6.944","0.002","11.434","0.004","15.743","0.006","90","","90","","90","","1250","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H16 I N -","- C12 H16 I N -","- C48 H64 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0164","0.0151","","","0.0378","0.0385","","","","","","0.623","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239568","7.4137","0.0005","13.643","0.0012","29.756","0.003","90","","90","","90","","3009.7","0.5","100","2","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H18 I N O2 -","- C14 H18 I N O2 -","- C112 H144 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1289","0.0486","","","0.069","0.0845","","","","","","0.858","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239569","7.2314","0.0002","9.476","0.0003","11.6165","0.0004","82.094","0.002","82.082","0.002","78.631","0.002","767.95","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C36 H38 N2 O6 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.0673","0.0542","","","0.1154","0.1243","","","","","","1.049","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239570","8.81","0.004","12.003","0.005","17.977","0.008","82.678","0.014","86.66","0.017","74.635","0.014","1817.5","1.4","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 N Na O4.5 -","- C17 H18 N Na O4.5 -","- C68 H72 N4 Na4 O18 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0986","0.0751","","","0.2271","0.2457","","","","","","1.085","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239571","8.6755","0.0007","10.3795","0.0008","35.24","0.003","92.172","0.002","91.37","0.002","99.956","0.003","3121.7","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H49 N Na O4.5 -","- C32 H49 N Na O4.5 -","- C128 H196 N4 Na4 O18 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.1133","0.0958","","","0.2295","0.2473","","","","","","1.171","","","","has coordinates","287753","2023-11-23","09:34:45",""
"7239572","15.3349","0.0003","7.5158","0.0002","13.7564","0.0002","90","","92.545","0.001","90","","1583.92","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 I N -","- C17 H20 I N -","- C68 H80 I4 N4 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71073","MoKα","","0.0243","0.0217","","","0.0507","0.0528","","","","","","1.07","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239573","19.2363","0.0014","10.283","0.0007","29.048","0.002","90","","92.704","0.002","90","","5739.5","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H43 N O3 -","- C33 H43 N O3 -","- C264 H344 N8 O24 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0505","0.0401","","","0.1025","0.1077","","","","","","1.033","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239574","9.802","0.013","9.8259","0.001","15.69","0.02","83.509","0.01","89.4","0.09","66.4","0.06","1375","3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H41 N O3 -","- C32 H41 N O3 -","- C64 H82 N2 O6 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1169","0.0848","","","0.1943","0.2128","","","","","","1.113","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239575","11.9454","0.0011","12.4652","0.0011","24.378","0.002","90.54","0.02","101.5","0.02","118.1","0.03","3115.3","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N3 Na O3.5 -","- C34 H38 N3 Na O3.5 -","- C136 H152 N12 Na4 O14 -","4","2","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.6889","synchrotron","","0.3242","0.1277","","","0.3028","0.4276","","","","","","0.993","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7239576","7.53","0.002","13.635","0.003","34.164","0.008","90","","90","","90","","3507.7","1.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 I N O2 -","- C18 H20 I N O2 -","- C144 H160 I8 N8 O16 -","8","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0717","0.0595","","","0.0856","0.0896","","","","","","1.233","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239577","12.7035","0.0009","18.2291","0.0013","11.1693","0.0008","90","","111.529","0.002","90","","2406.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.0593","0.0406","","","0.1051","0.1137","","","","","","0.975","","","","has coordinates","244775","2020-10-21","18:00:00",""
"7239578","10.8885","0.0008","17.307","0.0011","27.892","0.002","78.372","0.003","80.234","0.003","77.874","0.003","4988.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C104 H130 N4 O20 -","- C104 H130 N4 O20 -","- C208 H260 N8 O40 -","2","1","","Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme","A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells","J. Mater. Chem. A","2014","2","11","4055","","10.1039/C3TA15278B","","","0.71075","MoKα","","0.1697","0.1066","","","0.2603","0.3071","","","","","","0.965","","","","has coordinates,has disorder","244775","2020-10-21","18:00:00",""