# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-06T00:18:12+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Crystal Growth & Design') AND volume = 14 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
"4509852","13.1181","0.0008","18.3396","0.0011","21.5614","0.0013","90","","101.558","0.001","90","","5082.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N5 Ni4 O14 -","- C37 H27 N5 Ni4 O14 -","- C148 H108 N20 Ni16 O56 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.0967","0.0576","","","0.1772","0.2113","","","","","","1.012","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509853","13.0294","0.0011","18.5533","0.0014","22.0018","0.0017","90","","102.837","0.0016","90","","5185.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JMC179verdes","","","- C38 H29 N5 Ni4 O15 -","- C38 H29 N5 Ni4 O15 -","- C152 H116 N20 Ni16 O60 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.1615","0.0824","","","0.2389","0.3001","","","","","","1.015","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509854","13.243","0.0006","18.2511","0.0008","21.8973","0.001","90","","104.174","0.001","90","","5131.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JMC180ver","","","- C39 H31 N5 Ni4 O16 -","- C39 H31 N5 Ni4 O16 -","- C156 H124 N20 Ni16 O64 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.0714","0.0531","","","0.1869","0.2049","","","","","","1.037","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509855","13.1308","0.0011","18.3853","0.0014","21.7336","0.0018","90","","101.981","0.002","90","","5132.5","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H35 N5 Ni4 O17 -","- C41 H35 N5 Ni4 O17 -","- C164 H140 N20 Ni16 O68 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","MoKα","","0.1182","0.0684","","","0.1864","0.2211","","","","","","1.047","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509856","13.0531","0.001","18.5575","0.0013","22.1139","0.0016","90","","103.263","0.001","90","","5213.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","TV95ver","","","- C40 H33 N5 Ni4 O17 -","- C40 H33 N5 Ni4 O17 -","- C160 H132 N20 Ni16 O68 -","4","1","","Cortijo, Miguel; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torroba, Javier","Tuning of Adsorption and Magnetic Properties in a Series of Self-Templated Isostructural Ni(II) Metal−Organic Frameworks","Crystal Growth & Design","2014","14","2","716","","10.1021/cg401590w","","","0.71073","","","0.1593","0.088","","","0.2407","0.3078","","","","","","1.021","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509857","8.9303","0.0003","17.7866","0.0006","7.9821","0.0003","90","","96.7172","0.0016","90","","1259.17","0.08","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 F6 N3 Ta -","- C10 H10 F6 N3 Ta -","- C40 H40 F24 N12 Ta4 -","4","1","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0163","0.0157","","","0.0358","0.036","","","","","","1.081","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509858","7.1842","0.0003","13.2358","0.0005","20.0804","0.0008","74.8179","0.0019","89.3805","0.0017","85.8098","0.0016","1837.78","0.13","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C10 H10 F5 N2 O Ta -","- C10 H10 F4.99333 N2 O1.00667 Ta -","- C60 H60 F29.96 N12 O6.04 Ta6 -","6","3","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0656","0.0337","","","0.0656","0.0759","","","","","","1.009","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509859","9.9102","0.0003","7.5768","0.0003","11.594","0.0004","90","","106.918","0.0018","90","","832.89","0.05","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 F7 N2 Ta -","- C2 H10 F7 N2 Ta -","- C8 H40 F28 N8 Ta4 -","4","0.5","","Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.","Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒","Crystal Growth & Design","2014","14","2","844","","10.1021/cg401710j","","x-ray","0.71069","MoKα","","0.0167","0.0152","","","0.0346","0.0351","","","","","","1","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509860","7.9759","0.0005","10.6923","0.0007","10.9369","0.0007","86.247","0.005","79.053","0.005","80.548","0.005","902.74","0.1","150","","150","","","","","","","","","6","P -1","-P 1","2","furosemide 1,4-dioxane solvate","","","- C16 H19 Cl N2 O7 S -","- C16 H19 Cl N2 O7 S -","- C32 H38 Cl2 N4 O14 S2 -","2","1","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0519","0.0345","","","0.0818","0.0907","","","","","","1.016","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509861","10.9529","0.0005","8.3816","0.0003","20.0071","0.0009","90","","95.024","0.004","90","","1829.65","0.13","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","furosemide tetrahydrofuran solvate","","","- C16 H19 Cl N2 O6 S -","- C16 H19 Cl N2 O6 S -","- C64 H76 Cl4 N8 O24 S4 -","4","1","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0499","0.0349","","","0.0825","0.0865","","","","","","1.055","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509862","12.143","0.0005","12.405","0.0004","24.3562","0.0011","90","","99.52","0.003","90","","3618.3","0.3","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","furosemide N,N-dimethylformamide solvate","","","- C15 H18 Cl N3 O6 S -","- C15 H18 Cl N3 O6 S -","- C120 H144 Cl8 N24 O48 S8 -","8","2","","Minkov, Vasily S.; Beloborodova, Alina A.; Drebushchak, Valeri A.; Boldyreva, Elena V.","Furosemide Solvates: Can They Serve As Precursors to Different Polymorphs of Furosemide?","Crystal Growth & Design","2014","14","2","513","","10.1021/cg401257w","","","0.71073","MoKα","","0.0763","0.0429","","","0.0819","0.0915","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509863","29.426","0.006","9.1549","0.0018","27.559","0.006","90","","115.5","0.03","90","","6701","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cd2 N2 O12 -","- C32 H26 Cd2 N2 O12 -","- C256 H208 Cd16 N16 O96 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0855","0.0692","","","0.1695","0.1857","","","","","","1.196","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509864","45.787","0.015","16.599","0.005","17.858","0.006","90","","90","","90","","13572","8","113","2","113","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C74 H66 Cd2 N8 O10 Zn0 -","- C74 H62 Cd2 N8 O10 -","- C592 H496 Cd16 N64 O80 -","8","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71075","MoKα","","0.1205","0.1103","","","0.2665","0.2746","","","","","","1.146","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509865","10.933","0.002","14.321","0.003","14.435","0.003","67.19","0.03","83.4","0.03","71.99","0.03","1981.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H36 Cd2 N4 O10 -","- C46 H36 Cd2 N4 O10 -","- C92 H72 Cd4 N8 O20 -","2","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0736","0.0533","","","0.1246","0.1413","","","","","","1.122","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509866","17.001","0.003","8.5304","0.0017","23.469","0.008","90","","127.642","0.019","90","","2695.1","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cd2 N O12 -","- C27 H14 Cd2 N O12 -","- C108 H56 Cd8 N4 O48 -","4","1","","Meng, Wei; Xu, Zhouqing; Ding, Jie; Wu, Dongqing; Han, Xiao; Hou, Hongwei; Fan, Yaoting","A Systematic Research on the Synthesis, Structures, and Application in Photocatalysis of Cluster-Based Coordination Complexes","Crystal Growth & Design","2014","14","2","730","","10.1021/cg401601d","","","0.71073","MoKα","","0.0883","0.0671","","","0.1708","0.1925","","","","","","1.139","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509867","5.7626","0.0002","9.672","0.0005","10.8216","0.0004","76.15","0.003","87.995","0.004","72.813","0.004","559.05","0.04","","","77","","","","1013","","","","","4","P -1","-P 1","2","","aqua-1-hydroxy-1,1-di(dihydrogenphosphonato)ethane-calcium hemipentahydrate","","- C2 Ca O10.5 P2 -","- C2 Ca O10.5 P2 -","- C4 Ca2 O21 P4 -","2","1","","Niekiel, Felicitas; Stock, Norbert","Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods","Crystal Growth & Design","2014","14","2","599","","10.1021/cg401459a","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509868","11.3975","0.0008","5.756","0.0004","15.4086","0.001","90","","94.012","0.007","90","","1008.39","0.12","","","77","","","","1013","","","","","5","P 1 21/c 1","-P 2ybc","14","","aqua-1-hydroxy-1,1-(hydrogendiphosphonato)ethane-calcium potassium hydrate","","- C2 Ca K O9 P2 -","- C2 Ca K O9 P2 -","- C8 Ca4 K4 O36 P8 -","4","1","","Niekiel, Felicitas; Stock, Norbert","Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods","Crystal Growth & Design","2014","14","2","599","","10.1021/cg401459a","","x-ray","0.825986","synchrotron","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509869","17.832","0.004","17.832","0.004","17.832","0.004","90","","90","","90","","5670","2","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl N10 Na O6 -","- C24 H30 Cl N10 Na O6 -","- C192 H240 Cl8 N80 Na8 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0813","0.0689","","","0.1801","0.1914","","","","","","1.072","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509870","18.148","0.002","18.148","0.002","18.148","0.002","90","","90","","90","","5977","1.1","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 Cl K N10 O6 -","- C24 H30 Cl K N10 O6 -","- C192 H240 Cl8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0669","0.0556","","","0.1617","0.1695","","","","","","1.076","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509871","13.139","0.005","13.139","0.005","30.095","0.012","90","","90","","120","","4499","3","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mg N20 O12 -","- C48 H72 Cl2 Mg N20 O12 -","- C144 H216 Cl6 Mg3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0925","0.0543","","","0.1395","0.199","","","","","","1.189","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509872","13.241","0.002","13.241","0.002","31.07","0.005","90","","90","","120","","4717.5","1.3","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Ca Cl2 N20 O12 -","- C48 H72 Ca Cl2 N20 O12 -","- C144 H216 Ca3 Cl6 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.047","0.0326","","","0.0738","0.0941","","","","","","1.047","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509873","13.201","0.004","13.201","0.004","30.575","0.009","90","","90","","120","","4614","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C48 H72 Cl2 Mn N20 O12 -","- C48 H72 Cl2 Mn N20 O12 -","- C144 H216 Cl6 Mn3 N60 O36 -","3","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0456","0.0329","","","0.0963","0.1024","","","","","","1.155","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509874","13.403","0.003","13.403","0.003","8.6697","0.0017","90","","90","","120","","1348.8","0.5","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","- C48 H60 Cl2 Mn N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.0647","0.0429","","","0.1194","0.1451","","","","","","0.841","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509875","13.4","0.01","13.4","0.01","8.73","0.006","90","","90","","120","","1357.5","1.7","296","2","296","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","- C48 H60 Cl2 Co N20 O6 -","1","0.166667","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1088","0.0518","","","0.1069","0.1261","","","","","","1.11","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509876","18.037","0.006","18.037","0.006","18.037","0.006","90","","90","","90","","5868","3","296","2","296","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C24 H30 F K N10 O6 -","- C24 H30 F K N10 O6 -","- C192 H240 F8 K8 N80 O48 -","8","0.333333","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1054","0.075","","","0.1486","0.1681","","","","","","1.033","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509877","11.948","0.004","12.066","0.004","12.125","0.004","65.2","0.004","72.767","0.004","69.079","0.004","1459.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H68 N20 Na2 O14 -","- C49 H68 N20 Na2 O14 -","- C49 H68 N20 Na2 O14 -","1","0.5","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.1433","0.0704","","","0.1186","0.1433","","","","","","1.014","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4509878","12.159","0.003","12.311","0.003","12.361","0.003","68.914","0.004","65.452","0.005","72.928","0.005","1547.6","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24.5 H34 K N10 O7 -","- C24.5 H34 K N10 O7 -","- C49 H68 K2 N20 O14 -","2","1","","Zhang, Rui; Zhao, Yanxia; Wang, Jiamin; Ji, Liguo; Yang, Xiao-Juan; Wu, Biao","Chloride Encapsulation by a Tripodal Tris(4-pyridylurea) Ligand and Effects of Countercations on the Secondary Coordination Sphere","Crystal Growth & Design","2014","14","2","544","","10.1021/cg401345z","","","0.71073","MoKα","","0.092","0.0656","","","0.1356","0.1521","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509879","22.0143","0.0018","9.8317","0.0009","22.891","0.002","90","","112.715","0.005","90","","4570.2","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C182 H33 Cl -","- C182 H33 Cl -","- C364 H66 Cl2 -","2","0.5","","Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.","Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes","Crystal Growth & Design","2014","14","2","756","","10.1021/cg401616j","","","1.54178","CuKα","","0.0899","0.0561","","","0.1187","0.1361","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509880","15.8747","0.0006","16.0091","0.0006","18.2908","0.0007","66.713","0.002","71.6","0.002","80.733","0.002","4047.9","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C144 H40 Cl6 -","- C144 H40 Cl6 -","- C288 H80 Cl12 -","2","1","","Filatov, Alexander S.; Ferguson, Michael V.; Spisak, Sarah N.; Li, Bo; Campana, Charles F.; Petrukhina, Marina A.","Bowl-Shaped Polyarenes as Concave‒Convex Shape Complementary Hosts for C60- and C70-Fullerenes","Crystal Growth & Design","2014","14","2","756","","10.1021/cg401616j","","","1.54178","CuKα","","0.1231","0.0659","","","0.1278","0.1511","","","","","","1.02","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509881","15.1465","0.0004","17.4664","0.0006","17.4943","0.0005","113.765","0.003","108.654","0.002","98.054","0.002","3815.2","0.2","293","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3-Benzenediol-diethyl N,N'-(1,3-phenylene)dioxalamate complex","","- C74 H82 N8 O30 -","- C74 H82 N8 O30 -","- C148 H164 N16 O60 -","2","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.5418","CuKα","","0.105","0.0887","","","0.277","0.2962","","","","","","1.013","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509882","4.941","0.0002","18.7803","0.0005","11.2062","0.0004","90","","97.223","0.003","90","","1031.61","0.06","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","5-Methyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene) dioxalamate complex","","- C21 H24 N2 O8 -","- C21 H24 N2 O8 -","- C42 H48 N4 O16 -","2","0.5","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.54184","CuKα","","0.0537","0.042","","","0.1085","0.1181","","","","","","1.039","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509883","15.8182","0.0007","18.9181","0.0006","11.3683","0.0004","90","","92.369","0.004","90","","3399.1","0.2","293","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,6-di-tbutyl-1,3-benzenediol-diethyl N,N'-(1,3-phenylene)dioxalamate","","- C29 H39 Cl3 N2 O8 -","- C29 H39 Cl3 N2 O8 -","- C116 H156 Cl12 N8 O32 -","4","1","","González-González, Juan Saulo; Martínez-Martínez, Francisco J.; García-Báez, Efrén V.; Cruz, Alejandro; Morín-Sánchez, Luis M.; Rojas-Lima, Susana; Padilla-Martínez, Itzia I.","Molecular Complexes of DiethylN,N′-1,3-Phenyldioxalamate and Resorcinols: Conformational Switching through Intramolecular Three-Centered Hydrogen-Bonding","Crystal Growth & Design","2014","14","2","628","","10.1021/cg401500k","","","1.5418","CuKα","","0.1163","0.0907","","","0.2786","0.3207","","","","","","1.041","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509884","14.497","0.005","17.021","0.006","12.332","0.004","90","","103.739","0.016","90","","2955.9","1.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H46 N2 O11 S -","- C26 H46 N2 O11 S -","- C104 H184 N8 O44 S4 -","4","1","","Bis, Joanna A.; Boyle, Paul D.; Carino, Stephen A. R.; Igo, David H.; Katrincic, Lee M.","Crystallization and Solid-State Characterization of the Hemihydrate of Albuterol Hemisulfate","Crystal Growth & Design","2014","14","2","775","","10.1021/cg4016405","","","0.71073","MoKα","","0.1144","0.064","","","0.1534","0.1819","","","","","","1.013","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509885","14.587","0.003","7.6483","0.0013","18.132","0.003","90","","102.264","0.002","90","","1976.7","0.6","173","2","173","2","","","101","","","","","7","P 1 21/n 1","-P 2yn","14","[CpCoS2N2H][BF4]","N2-5-(eta-5-Cyclopentadienyl)-5-cobalta-1,3,2,4-dithiadiazolium tetrafluoroborate","","- C5 H6 B Co F4 N2 S2 -","- C5 H6 B Co F4 N2 S2 -","- C40 H48 B8 Co8 F32 N16 S16 -","8","2","","Boeré, René T.","Hydrogen-Bonding Motifs in MS2N2H Metallacycles: A Crystallographic and Computational Study of [CpCoS2N2H][BF4]","Crystal Growth & Design","2014","14","2","814","","10.1021/cg401674w","","x-ray","0.71073","MoKα","","0.1209","0.0577","","","0.1194","0.1452","","","","","","1.014","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509886","10.284","0.003","31.388","0.01","20.904","0.007","90","","103.189","0.009","90","","6570","4","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 Ag Cl3 F6 N3 O8 P -","- C24 H15 Ag N3 O6 -","- C192 H120 Ag8 N24 O48 -","8","1","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.0892","0.0462","","","0.1164","0.1334","","","","","","0.565","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509887","20.565","0.008","22.834","0.008","7.502","0.003","90","","90.73","0.012","90","","3523","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 Cl6 N3 O13 -","- C33 H20 N3 O12 -","- C132 H80 N12 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.1753","0.0645","","","0.1473","0.187","","","","","","0.732","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509888","10.889","0.006","13.384","0.007","17.35","0.013","104.96","0.02","103.6","0.02","102.482","0.017","2269","2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C98 H62 Ag2 Cl6 F12 N6 O12 P2 -","- C96 H60 Ag2 F12 N6 O12 P2 -","- C96 H60 Ag2 F12 N6 O12 P2 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering","Crystal Growth & Design","2014","14","2","419","","10.1021/cg401858s","","","0.71073","MoKα","","0.1673","0.0653","","","0.1574","0.1913","","","","","","0.802","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509889","10.5932","0.0019","4.7331","0.0008","17.179","0.003","90","","98.548","0.007","90","","851.8","0.3","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H23.8 N4 O8.9 -","- C12 H23.812 N4 O8.906 -","- C24 H47.624 N8 O17.812 -","2","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0804","0.0538","","","0.1234","0.1374","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509890","8.8194","0.0012","9.2436","0.0014","20.227","0.003","90","","90","","90","","1649","0.4","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H23.4 N4 O8.7 -","- C12 H23.404 N4 O8.702 -","- C48 H93.616 N16 O34.808 -","4","1","","Nath, Naba K.; Yasuda, Nobuhiro; Rabeh, Wael M.; Sahoo, Subash Chandra; Naumov, Panče","Structural Elucidation of the Neuraminidase Inhibitor Zanamivir (Relenza): Creeping and Diffusion for Polymorph Separation","Crystal Growth & Design","2014","14","2","770","","10.1021/cg4016383","","","0.61948","Synchrotron","","0.0334","0.0327","","","0.093","0.0936","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509891","29.1206","0.0015","9.0225","0.0004","20.0291","0.0011","90","","131.787","0.0011","90","","3923.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C132 H136 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0347","0.0329","","","0.079","0.0801","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509892","29.274","0.0011","9.0709","0.0003","20.0025","0.0009","90","","131.915","0.0009","90","","3952.5","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0627","0.0446","","","0.1124","0.1674","","","","","","1.201","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509893","28.969","0.002","9.0811","0.0006","20.0477","0.0013","90","","131.492","0.0014","90","","3950.4","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.1114","0.065","","","0.1732","0.2388","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509894","29.326","0.0012","9.0664","0.0004","20.2033","0.0008","90","","132.153","0.001","90","","3982.3","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C16.5 H17 N0.5 Ni0.5 O3 S5 -","- C132 H136 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0458","0.034","","","0.0778","0.1005","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509895","29.103","0.002","9.1316","0.0005","20.203","0.0013","90","","131.73","0.0017","90","","4006.9","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.1081","0.0464","","","0.1049","0.1568","","","","","","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509896","29.4415","0.0011","9.109","0.0003","20.1583","0.0009","90","","132.211","0.0009","90","","4004.2","0.3","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C16.5 H16 F0.5 N0.5 Ni0.5 O3 S5 -","- C132 H128 F4 N4 Ni4 O24 S40 -","8","1","","Liu, Zun-qi; Kubo, Kazuya; Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Design of Crystalline Spaces for Molecular Rotations in Crystals","Crystal Growth & Design","2014","14","2","537","","10.1021/cg4013262","","","0.71075","MoKα","","0.0808","0.0434","","","0.1008","0.1635","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509897","9.6191","0.001","10.0535","0.0011","12.8335","0.0014","71.676","0.001","87.048","0.002","75.916","0.001","1142.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C52 H40 N4 O12 Zn2 -","2","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0723","0.0672","","","0.1974","0.2037","","","","","","1.006","","","","has coordinates","179634","2020-10-21","18:00:00",""
"4509898","10.9063","0.0004","10.9553","0.0004","16.599","0.0007","90","","101.655","0.001","90","","1942.39","0.13","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H12 N O5 Zn -","- C17 H12 N O5 Zn -","- C68 H48 N4 O20 Zn4 -","4","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0541","0.0384","","","0.1036","0.1074","","","","","","1.005","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509899","7.2562","0.0014","10.207","0.002","11.423","0.002","108.061","0.002","92.203","0.003","99.553","0.003","789.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Co N4 O10 -","- C32 H36 Co N4 O10 -","- C32 H36 Co N4 O10 -","1","0.5","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0562","0.05","","","0.1271","0.1324","","","","","","1.014","","","","has coordinates,has disorder","179634","2020-10-21","18:00:00",""
"4509900","7.3036","0.0003","10.4501","0.0004","11.5545","0.0004","108.251","0.001","94.805","0.001","98.434","0.001","820.52","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 Cd N4 O10 -","- C32 H24 Cd N4 O10 -","- C32 H24 Cd N4 O10 -","1","0.5","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0349","0.0346","","","0.0913","0.0917","","","","","","1.044","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509901","10.2536","0.0005","11.9941","0.0006","25.9444","0.0012","90","","105.733","0.002","90","","3071.2","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H29 Co N2 O6.5 -","- C34 H29 Co N2 O6.5 -","- C136 H116 Co4 N8 O26 -","4","1","","Zhang, Chuanlei; Zhang, Mingdao; Qin, Ling; Zheng, Hegen","Crystal Structures and Spectroscopic Properties of Metal‒Organic Frameworks Based on Rigid Ligands with Flexible Functional Groups","Crystal Growth & Design","2014","14","2","491","","10.1021/cg401149h","","","0.71073","MoKα","","0.0789","0.0454","","","0.0992","0.1048","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509902","34.0012","0.003","34.0012","0.003","154.0023","0.005","90","","90","","120","","154186","2","173","2","173","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C168 H96 N12 O79 P12 Zn11 -","- C168 H96 N12 O79 P12 Zn11 -","- C2016 H1152 N144 O948 P144 Zn132 -","12","0.333333","","Li, Bao; Chen, Xi; Yu, Fan; Yu, Wenjing; Zhang, Tianle; Sun, Di","Luminescent Response of One Anionic Metal‒Organic Framework Based on Novel Octa-nuclear Zinc Cluster to Exchanged Cations","Crystal Growth & Design","2014","14","2","410","","10.1021/cg401766j","","","0.71073","MoKα","","0.2588","0.1401","","","0.351","0.4341","","","","","","1.173","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509903","18.8141","0.0005","16.8612","0.0003","16.0353","0.0003","90","","94.892","0.001","90","","5068.32","0.19","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H80 N4 O12 -","- C46 H80 N4 O12 -","- C184 H320 N16 O48 -","4","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","x-ray","0.71073","MoKα","","0.1418","0.0788","","","0.1735","0.2107","","","","","","1.012","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509904","49.7671","0.0012","49.7671","0.0012","29.6709","0.0016","90","","90","","120","","63642","4","100","0.1","100","0.1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C133.53 H207.47 N8 O24 -","- C133.44 H207.36 N8 O24 -","- C2401.92 H3732.48 N144 O432 -","18","1","","Bardelang, David; Giorgi, Michel; Hornebecq, Virginie; Stepanov, Anatoli; Hardy, Micaël; Rizzato, Egon; Monnier, Valérie; Zaman, Md. Badruz; Chan, Gordon; Udachin, Konstantin; Enright, Gary; Tordo, Paul; Ouari, Olivier","Hosting Various Guests Including Fullerenes and Free Radicals in Versatile Organic ParamagneticbTbkOpen Frameworks","Crystal Growth & Design","2014","14","2","467","","10.1021/cg401097e","","","0.7107","MoKα","","0.1504","0.0937","","","0.2465","0.3146","","","","","","1.042","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509905","8.8854","0.0005","13.3231","0.0005","14.7403","0.0007","90","","101.159","0.005","90","","1711.98","0.14","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 N3 O6 S2 -","- C14 H17 N3 O6 S2 -","- C56 H68 N12 O24 S8 -","4","1","","Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick","Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids","Crystal Growth & Design","2014","14","2","803","","10.1021/cg401673z","","","0.71073","MoKα","","0.0582","0.0356","","","0.0848","0.0949","","","","","","1.013","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509906","8.0392","0.0006","19.9339","0.001","8.636","0.0003","90","","97.715","0.004","90","","1371.41","0.13","150.1","0.1","150.1","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O6 S2 -","- C11 H11 N3 O6 S2 -","- C44 H44 N12 O24 S8 -","4","1","","Hu, Yun; Gniado, Katarzyna; Erxleben, Andrea; McArdle, Patrick","Mechanochemical Reaction of Sulfathiazole with Carboxylic Acids: Formation of a Cocrystal, a Salt, and Coamorphous Solids","Crystal Growth & Design","2014","14","2","803","","10.1021/cg401673z","","","0.71073","MoKα","","0.0549","0.0399","","","0.1043","0.1246","","","","","","1.211","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509907","12.46","0.005","9.968","0.005","14.021","0.005","90","0.005","114.069","0.005","90","0.005","1590","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cu N2 O8 -","- C14 H8 Cu N2 O8 -","- C28 H16 Cu2 N4 O16 -","2","0.5","","Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli","Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach","Crystal Growth & Design","2014","14","2","406","","10.1021/cg401698a","","","0.71069","MoKα","","0.0853","0.0722","","","0.232","0.2445","","","","","","1.151","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509908","10.901","0.005","10.346","0.005","11.834","0.005","90","0.005","107.066","0.005","90","0.005","1275.9","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cu N2 O8 Sn2 -","- C20 H24 Cu N2 O8 Sn2 -","- C40 H48 Cu2 N4 O16 Sn4 -","2","0.5","","Mohapatra, Chandrajeet; Chandrasekhar, Vadapalli","Two-Dimensional Homometallic- to a Three Dimensional Heterometallic Coordination Polymer: A Metalloligand Approach","Crystal Growth & Design","2014","14","2","406","","10.1021/cg401698a","","","0.71069","MoKα","","0.0368","0.0309","","","0.0749","0.0895","","","","","","1.094","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509909","7.791","0.002","9.064","0.002","16.531","0.005","86.551","0.007","85.974","0.007","78.416","0.008","1139.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H19 Br5 N4 O -","- C20 H19 Br5 N4 O -","- C40 H38 Br10 N8 O2 -","2","1","","Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","pH Dependent Formation of Unprecedented Water‒Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study","Crystal Growth & Design","2014","14","2","747","","10.1021/cg401615r","","","0.71073","MoKα","","0.0751","0.0555","","","0.1354","0.1459","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509910","8.6394","0.0011","25.895","0.003","12.1559","0.0011","90","","124.25","0.006","90","","2247.9","0.5","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 Br3 N4 O3 -","- C20 H23 Br3 N4 O3 -","- C80 H92 Br12 N16 O12 -","4","1","","Manna, Prankrishna; Seth, Saikat Kumar; Bauzá, Antonio; Mitra, Monojit; Ray Choudhury, Somnath; Frontera, Antonio; Mukhopadhyay, Subrata","pH Dependent Formation of Unprecedented Water‒Bromide Cluster in the Bromide Salts of PTP Assisted by Anion−π Interactions: Synthesis, Structure, and DFT Study","Crystal Growth & Design","2014","14","2","747","","10.1021/cg401615r","","","","","","0.063","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509911","19.056","0.009","9.7904","0.0015","26.613","0.007","90","","134.35","0.02","90","","3550","2","453","","453","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H24 N4 Ni2 O17 V6 -","- C24 H24 N4 Ni2 O17 V6 -","- C96 H96 N16 Ni8 O68 V24 -","4","1","","Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.","Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change","Crystal Growth & Design","2014","14","2","658","","10.1021/cg401540s","powder diffraction","","0.82548","synchrotron","","13.92","","","","","","","","0.51","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509912","19.6177","0.001","9.3725","0.0003","26.6897","0.0017","90","","132.445","0.008","90","","3621.3","0.6","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H28 N4 Ni2 O19 V6 -","- C24 H24 N4 Ni2 O19 V6 -","- C96 H96 N16 Ni8 O76 V24 -","4","1","","Fernández de Luis, Roberto; Orive, Joseba; Larrea, Edurne S.; Urtiaga, M. Karmele; Arriortua, María I.","Reversible Solid-State Transformation in {Ni2(H2O)2(Bpa)2}(V6O17) Proved by Synchrotron Radiation: Color and Magnetic Properties Change","Crystal Growth & Design","2014","14","2","658","","10.1021/cg401540s","","","0.71073","MoKα","","0.0979","0.0925","","","0.2241","0.2315","","","","","","1.06","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509913","12.8613","0.0015","5.3305","0.0006","29.105","0.003","90","","100.016","0.002","90","","1964.9","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.0553","0.0374","","0.0814","0.0731","0.0814","","","","","","0.9191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509914","4.8206","0.0003","20.6135","0.0014","19.1406","0.0012","90","","93.291","0.002","90","","1898.9","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N4 O6 S -","- C18 H17 Cl N4 O6 S -","- C72 H68 Cl4 N16 O24 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.0747","0.0445","","0.0908","0.0776","0.0908","","","","","","0.9293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509915","26.823","0.005","4.7607","0.001","18.427","0.004","90","","122.37","0.03","90","","1987.4","1","100","","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl N3 O7 S -","- C19 H18 Cl N3 O7 S -","- C76 H72 Cl4 N12 O28 S4 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.6889","","","0.0592","0.0402","","0.1274","0.0917","0.1274","","","","","","0.9886","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509916","5.0178","0.0011","38.527","0.008","17.031","0.004","90","","94.353","0.003","90","","3282.9","1.3","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 Cl2 N6 O11 S2 -","- C30 H27.976 Cl2 N6 O11 S2 -","- C120 H111.904 Cl8 N24 O44 S8 -","4","1","","Harriss, Bethany I.; Vella-Zarb, Liana; Wilson, Claire; Evans, Ivana Radosavljevic","Furosemide Cocrystals: Structures, Hydrogen Bonding, and Implications for Properties","Crystal Growth & Design","2014","14","2","783","","10.1021/cg401662d","","","0.71073","MoKα","","0.1307","0.0977","","0.1369","0.1295","0.1369","","","","","","0.9181","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509917","21.712","0.003","7.7087","0.001","22.024","0.003","90","","92.748","0.002","90","","3681.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 N6 Zn -","- C16 H14 Br2 N6 Zn -","- C128 H112 Br16 N48 Zn8 -","8","2","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0797","0.0425","","","0.0805","0.0881","","","","","","1.003","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509918","16.039","0.002","23.007","0.003","20.128","0.003","90","","96.51","0.002","90","","7379.5","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Br2 N6 Zn -","- C16 H14 Br2 N6 Zn -","- C256 H224 Br32 N96 Zn16 -","16","4","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1098","0.051","","","0.0938","0.1157","","","","","","1.014","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509919","16.2395","0.001","15.7632","0.001","13.9861","0.0009","90","","102.156","0.001","90","","3500","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 Fe N14 S2 -","- C34 H28 Fe N14 S2 -","- C136 H112 Fe4 N56 S8 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0764","0.0408","","","0.0912","0.109","","","","","","1.004","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509920","17.1342","0.0007","17.7157","0.0006","17.9936","0.0007","90","","90","","90","","5461.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47 Fe2 N19 O2 S4 -","- C47 Fe2 N19 O2 S4 -","- C188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1198","0.077","","","0.1764","0.2035","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509921","16.676","0.001","17.192","0.002","17.671","0.001","90","","90","","90","","5066.2","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C47 H45 Fe2 N19 O2 S4 -","- C47 H41 Fe2 N19 O2 S4 -","- C188 H164 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1416","0.0665","","","0.1366","0.168","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509922","16.6608","0.0003","17.6843","0.0003","17.8456","0.0004","90","","90","","90","","5257.93","0.18","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H47 Fe2 N19 O2 S4 -","- C48 H47 Fe2 N19 O2 S4 -","- C192 H188 Fe8 N76 O8 S16 -","4","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.0639","0.0524","","","0.1177","0.1264","","","","","","1.043","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4509923","11.8088","0.0016","12.4112","0.0018","19.618","0.003","106.581","0.002","100.09","0.002","95.371","0.002","2681.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H50 Fe2 N19 O3.5 S4 -","- C48 H46 Fe2 N19 O3.5 S4 -","- C96 H92 Fe4 N38 O7 S8 -","2","1","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.2682","0.0707","","","0.1739","0.2229","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509924","14.935","0.002","15.074","0.002","21.958","0.003","86.882","0.003","77.566","0.003","73.115","0.003","4619.2","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C160 H174 N72 Ni6 O53 -","- C160 H168 N72 Ni6 O53 -","- C160 H168 N72 Ni6 O53 -","1","0.5","","Wu, Xiang Xia; Wang, You You; Yang, Pan; Xu, Yao Yao; Huo, Jian Zhong; Ding, Bin; Wang, Ying; Wang, XiuGuang","Syntheses, Structural Variation, and Characterization of a Series of Crystalline Coordination Compounds with 4-Benzene-1,2,4-triazole: Polymorph, Incomplete Spin Transition, and Single Crystal-to-Single Crystal Transformation","Crystal Growth & Design","2014","14","2","477","","10.1021/cg401141a","","","0.71073","MoKα","","0.1093","0.0756","","","0.1717","0.1937","","","","","","1.028","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509925","10.2164","0.0008","6.07487","0.00012","25.9781","0.0017","90","","102.821","0.016","90","","1572.09","0.19","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Portell, Anna; Prohens, Rafel","Single-Stranded Molecular Helical Assembly from a Self-Complementary Squaramide Compound","Crystal Growth & Design","2014","14","2","397","","10.1021/cg401639g","powder diffraction","","1.5418","CuKα","","","","","","","","","7.018","2.41","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4509926","12.959","0.005","13.832","0.005","14.44","0.005","69.617","0.005","66.648","0.005","79.195","0.005","2223.9","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H108 O18 Ru6 Sn6 -","- C90 H108 O18 Ru6 Sn6 -","- C90 H108 O18 Ru6 Sn6 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0485","0.0393","","","0.0936","0.1009","","","","","","1.052","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509927","22.117","","22.117","","24.215","0.005","90","","90","","120","","10258","2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C144 H132 O18 Ru6 Sn6 -","- C144 H132 O18 Ru6 Sn6 -","- C432 H396 O54 Ru18 Sn18 -","3","0.166667","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0435","0.035","","","0.0813","0.0859","","","","","","1.077","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509928","15.068","0.005","15.086","0.005","15.68","0.005","69.769","0.005","68.998","0.005","71.416","0.005","3044.1","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H96 O18 Ru6 Sn6 -","- C108 H96 O18 Ru6 Sn6 -","- C108 H96 O18 Ru6 Sn6 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0645","0.0558","","","0.1613","0.1785","","","","","","1.1","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509929","12.481","0.005","13.445","0.005","13.744","0.005","61.104","0.005","72.618","0.005","84.29","0.005","1924.2","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H108 O10 Ru4 Sn4 -","- C76 H108 O10 Ru4 Sn4 -","- C76 H108 O10 Ru4 Sn4 -","1","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0534","0.0417","","","0.0983","0.1069","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4509930","21.612","0.005","9.698","0.005","26.478","0.005","90","","90","","90","","5550","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H36 O4 Ru2 Sn -","- C30 H36 O4 Ru2 Sn -","- C240 H288 O32 Ru16 Sn8 -","8","1","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71069","MoKα","","0.0626","0.0451","","","0.0995","0.1099","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509931","8.261","0.003","23.95","0.008","10.847","0.003","90","","111.639","0.005","90","","1994.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 O6 Ru2 Sn2 -","- C38 H56 O6 Ru2 Sn2 -","- C76 H112 O12 Ru4 Sn4 -","2","0.5","","Kundu, Subrata; Chakraborty, Amit; Mondal, Kunal; Chandrasekhar, Vadapalli","Multi-Ruthenocene Assemblies on an Organostannoxane Platform. Supramolecular Signatures and Conversion to (Ru‒Sn)O2","Crystal Growth & Design","2014","14","2","861","","10.1021/cg4017323","","","0.71073","MoKα","","0.0384","0.0335","","","0.0828","0.0867","","","","","","1.048","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509932","11.8037","0.0006","20.4941","0.0011","13.6817","0.0007","90","","96.031","0.003","90","","3291.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.1114","0.0669","","","0.1606","0.1722","","","","","","0.854","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509933","11.608","0.003","15.781","0.004","14.682","0.004","90","","90.824","0.018","90","","2689.3","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.1544","0.0684","","","0.1682","0.1901","","","","","","0.879","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509934","7.8005","0.0002","11.2947","0.0003","13.1552","0.0004","82.719","0.002","80.499","0.002","83.194","0.002","1128.26","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N7 O4 Zn -","- C23 H19 N7 O4 Zn -","- C46 H38 N14 O8 Zn2 -","2","1","","Park, Ji Hye; Lee, Woo Ram; Kim, Yeonga; Lee, Hye Jin; Ryu, Dae Won; Phang, Won Ju; Hong, Chang Seop","Interpenetration Control, Sorption Behavior, and Framework Flexibility in Zn(II) Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","2","699","","10.1021/cg401583v","","","0.71073","MoKα","","0.0859","0.0579","","","0.1298","0.1495","","","","","","1.065","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509935","9.9488","0.0008","23.117","0.002","11.8918","0.0011","90","","90.287","0.001","90","","2734.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Cu2 N16 O11 -","- C56 H42 Cu2 N16 O11 -","- C112 H84 Cu4 N32 O22 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.133","0.068","","","0.17","0.2105","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509936","8.947","0.0009","24.276","0.002","12.532","0.0011","90","","90.125","0.001","90","","2721.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 Co2 N16 O11 -","- C56 H42 Co2 N16 O11 -","- C112 H84 Co4 N32 O22 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.0845","0.053","","","0.1298","0.1501","","","","","","1.025","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509937","8.9676","0.0008","24.598","0.002","12.6341","0.0011","90","","90.114","0.001","90","","2786.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 N16 O11 Zn2 -","- C56 H42 N16 O11 Zn2 -","- C112 H84 N32 O22 Zn4 -","2","0.5","","Gong, Yun; Shi, Hui-Fang; Jiang, Peng-Gang; Hua, Wei; Lin, Jian-Hua","Metal(II)-Induced Coordination Polymer Based on 4-(5-(Pyridin-4-yl)-4H-1,2,4-triazol-3-yl)benzoate as an Electrocatalyst for Water Splitting","Crystal Growth & Design","2014","14","2","649","","10.1021/cg401529u","","","0.71073","MoKα","","0.1113","0.0711","","","0.1805","0.198","","","","","","1.037","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509938","7.1646","0.0004","11.6664","0.0006","16.2037","0.0008","109.485","0.001","96.911","0.002","99.708","0.002","1235.61","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H30 N2 Ni2 O20 -","- C14 H30 N2 Ni2 O20 -","- C28 H60 N4 Ni4 O40 -","2","1","","Hundal, Geeta; Hundal, Maninder Singh; Hwang, Young Kyu; Chang, Jong San","Supramolecular Interactions between Finite Tapes of Water Molecules and Hydrated Metal Ions To Produce Infinite Two-Dimensional Cationic Layers of Water Molecules","Crystal Growth & Design","2014","14","1","172","","10.1021/cg401358p","","","0.71073","MoKα","","0.0627","0.0582","","","0.1907","0.1937","","","","","","1.021","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509939","40.334","0.005","7.7289","0.0009","15.6202","0.0018","90","","90.602","0.003","90","","4869.1","1","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H40 O5 -","- C24 O5 -","- C192 O40 -","8","2","","Wang, Xudong; Li, Chenxi; Duan, Yueqin; Lu, Yan","Hydrophobic Tetramer Structures of Cholic Acid","Crystal Growth & Design","2014","14","1","23","","10.1021/cg401651t","","","0.8856","","","0.382","0.3699","","","0.7092","0.7275","","","","","","3.241","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509940","6.4938","0.0007","9.2279","0.0009","9.9675","0.001","64.0531","0.001","85.7704","0.0013","73.6886","0.0013","514.63","0.09","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","- C18 H14 Br4 N2 O6 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","powder diffraction","x-ray","1.54184","","","","","","","","","0.15799","","4.8","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509941","9.2517","0.0003","7.0646","0.0002","18.7083","0.0007","90","","101.565","0.002","90","","1197.94","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br4 N4 O6 -","- C18 H18 Br4 N4 O6 -","- C36 H36 Br8 N8 O12 -","2","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.136","0.055","","","0.1419","0.1712","","","","","","1.048","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509942","8.0299","0.0009","10.3117","0.0011","7.0948","0.0008","90","","99.5592","0.0011","90","","579.31","0.11","293","","293","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C8 H2 Br4 O4 -","- C8 H2 Br4 O4 -","- C16 H4 Br8 O8 -","2","0.25","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","powder diffraction","x-ray","1.54184","","","","","","","","","0.03379","","2.16","","","","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509943","5.8277","0.0006","14.727","0.002","16.5226","0.0019","90","","97.177","0.005","90","","1406.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 Br4 O6 -","- C8 H6 Br4 O6 -","- C32 H24 Br16 O24 -","4","1","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.1878","0.0772","","","0.1562","0.1835","","","","","","0.81","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509944","8.4983","0.0005","8.7073","0.0004","9.9547","0.0005","92.062","0.002","112.55","0.003","114.459","0.002","602.4","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Br4 N6 O6 -","- C20 H14 Br4 N6 O6 -","- C20 H14 Br4 N6 O6 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.0603","0.0384","","","0.094","0.1046","","","","","","1.01","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509945","6.8225","0.0005","8.9985","0.0006","10.1541","0.0007","96.117","0.004","90.172","0.004","106.548","0.004","593.8","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H10 Br4 I2 N2 O4 -","- C18 H10 Br4 I2 N2 O4 -","- C18 H10 Br4 I2 N2 O4 -","1","0.5","","Dey, Sanjoy Kumar; Saha, Rajat; Biswas, Susobhan; Layek, Animesh; Middya, Somnath; Steele, Ian M.; Fleck, Michel; Ray, Partha Pratim; Kumar, Sanjay","Tetrabromoterepthalic Acid in Designing Co-crystals and Salts: Modification of Optical Properties and Schottky Barrier Effect","Crystal Growth & Design","2014","14","1","207","","10.1021/cg4014009","","","0.71073","MoKα","","0.25","0.069","","","0.1319","0.1804","","","","","","0.921","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509946","9.793","0.0005","14.477","0.0007","7.6369","0.0004","90","","106.032","0.003","90","","1040.6","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cu N5 O5 -","- C8 H9 Cu N5 O5 -","- C32 H36 Cu4 N20 O20 -","4","1","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0313","0.0252","","","0.0581","0.0599","","","","","","1.061","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509947","7.0521","0.0003","10.505","0.0003","16.0669","0.0006","90","","90.121","0.002","90","","1190.27","0.08","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N10 O12 Zn2 -","- C16 H22 N10 O12 Zn2 -","- C32 H44 N20 O24 Zn4 -","2","0.5","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0276","0.0224","","","0.0511","0.0525","","","","","","1.045","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509948","14.2033","0.0008","14.7848","0.0008","7.0659","0.0003","90","","102.643","0.002","90","","1447.81","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 Co2 N10 O18 -","- C16 H34 Co2 N10 O18 -","- C32 H68 Co4 N20 O36 -","2","0.5","","El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J.","Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate","Crystal Growth & Design","2014","14","1","249","","10.1021/cg401455c","","","0.71073","MoKα","","0.0533","0.0347","","","0.0807","0.0875","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509949","3.88551","0.0001","3.88551","0.0001","7.3489","0.0003","90","","90","","90","","110.948","0.006","293","2","293","2","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","BiOCl","","","- Bi Cl O -","- Bi Cl O -","- Bi2 Cl2 O2 -","2","0.125","","Biswas, Anupam; Das, Raja; Dey, Chandan; Banerjee, Rahul; Poddar, Pankaj","Ligand-Free One-Step Synthesis of {001} Faceted Semiconducting BiOCl Single Crystals and Their Photocatalytic Activity","Crystal Growth & Design","2014","14","1","236","","10.1021/cg4014366","","","0.71073","MoKα","","0.0624","0.0624","","","0.1598","0.1598","","","","","","1.269","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509950","3.8641","0.0009","26.562","0.006","14.773","0.003","90","","95.929","0.003","90","","1508.2","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","orthodibromodibenzphenazine","11,12-dibromo-dibenz[a,c]phenazine","","- C20 H10 Br2 N2 -","- C20 H10 Br2 N2 -","- C80 H40 Br8 N8 -","4","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0208","0.019","","","0.052","0.053","","","","","","1.107","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509951","16.966","0.004","38.644","0.01","6.9694","0.0018","90","","90","","90","","4569","2","100","2","100","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","11,12-bisC3F7dibenzphenazine","11,12-bis(perfluoropropyl)-dibenz[a,c]phenazine","","- C26 H10 F14 N2 -","- C26 H10 F14 N2 -","- C208 H80 F112 N16 -","8","0.5","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0338","0.0254","","","0.0682","0.0766","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509952","7.3069","0.0011","17.986","0.003","39.263","0.006","90","","90","","90","","5160","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC4F9dibenzphenazine","11,12-bis(perfluorobutyl)-dibenz[a,c]phenazine","","- C28 H10 F18 N2 -","- C28 H10 F18 N2 -","- C224 H80 F144 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0602","0.0536","","","0.1391","0.1487","","","","","","1.065","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509953","7.5302","0.0008","18.595","0.002","45.45","0.005","90","","90","","90","","6364.1","1.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","11,12-bisC6F13dibenzphenazine","11,12-bis(perfluorohexyl)-dibenz[a,c]phenazine","","- C32 H10 F26 N2 -","- C32 H10 F26 N2 -","- C256 H80 F208 N16 -","8","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0378","0.0322","","","0.0771","0.0803","","","","","","1.149","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509954","5.1175","0.0007","13.0267","0.0017","29.29","0.004","90","","90","","90","","1952.6","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MonoC4F9dibenzphenazine","11-perfluorobutyl-dibenz[a,c]phenazine","","- C24 H11 F9 N2 -","- C24 H11 F9 N2 -","- C96 H44 F36 N8 -","4","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0239","0.0213","","","0.0536","0.0551","","","","","","1.13","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509955","6.7136","0.0006","9.5424","0.0009","19.8914","0.0018","81.818","0.001","85.346","0.001","82.085","0.001","1246.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","9,10-bisC4F9dithiophenephenazine","9,10-bis(perfluorobutyl)-dithieno[2,3-a: 3',2'-c]phenazine","","- C24 H6 F18 N2 S2 -","- C24 H6 F18 N2 S2 -","- C48 H12 F36 N4 S4 -","2","1","","Putta, Anjaneyulu; Mottishaw, Jeffery D.; Wang, Zhihua; Sun, Haoran","Rational Design of Lamellar π‒π Stacked Organic Crystalline Materials with Short Interplanar Distance","Crystal Growth & Design","2014","14","1","350","","10.1021/cg401637a","","","0.71073","MoKα","","0.0577","0.0445","","","0.0995","0.108","","","","","","1.023","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509956","15.9995","0.0005","18.1852","0.0007","24.8199","0.0007","90","","102.917","0.003","90","","7038.7","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C48 H30 Mn3 N2 O23 S3 -","- C48 H30 Mn3 N2 O23 S3 -","- C192 H120 Mn12 N8 O92 S12 -","4","1","","Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2014","14","1","310","","10.1021/cg401587r","","","0.71073","MoKα","","0.0883","0.0647","","","0.1823","0.1996","","","","","","1.053","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509957","18.0352","0.001","25.8676","0.0013","18.0584","0.0009","90","","118.861","0.003","90","","7378.3","0.7","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Manganese sulfonyldibenzoates","","","- C84 H48 Mn7 O48 S6 -","- C84 H48 Mn7 O48 S6 -","- C168 H96 Mn14 O96 S12 -","2","0.5","","Bhattacharya, Saurav; Gnanavel, M.; Bhattacharyya, Aninda J.; Natarajan, Srinivasan","Organization of Mn-Clusters inpcuandbcuNetworks: Synthesis, Structure, and Properties","Crystal Growth & Design","2014","14","1","310","","10.1021/cg401587r","","","0.71073","MoKα","","0.1391","0.0696","","","0.182","0.204","","","","","","0.838","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509958","10.3769","0.0002","8.8497","0.0002","13.5431","0.0003","90","","96.8897","0.0008","90","","1234.72","0.05","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0505","0.0399","","","0.0964","0.1019","","","","","","1.071","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509959","11.1175","0.0002","11.5416","0.0002","12.2025","0.0002","105.767","0.0007","102.716","0.0007","98.4533","0.0008","1433.77","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C64 H72 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0602","0.0421","","","0.101","0.1108","","","","","","1.058","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509960","9.6119","0.0002","11.0473","0.0002","14.6432","0.0003","74.6603","0.0008","72.0162","0.0008","64.8393","0.0009","1322.47","0.05","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0528","0.0402","","","0.1007","0.108","","","","","","1.039","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509961","10.992","0.0001","11.1848","0.0002","13.2362","0.0002","107.41","0.0006","94.424","0.0006","115.715","0.0007","1357.82","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0777","0.0464","","","0.1137","0.1304","","","","","","1.052","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509962","9.283","0.001","14.248","0.002","37.628","0.004","90","","90","","90","","4976.8","1","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C224 H224 N32 O32 -","16","2","","Long, Sihui; Zhou, Panpan; Parkin, Sean; Li, Tonglei","From Competition to Commensuration by Two Major Hydrogen-Bonding Motifs","Crystal Growth & Design","2014","14","1","27","","10.1021/cg401532j","","","0.71073","MoKα","","0.0778","0.0423","","","0.1062","0.1262","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509963","12.3442","0.0004","18.1532","0.0007","18.2571","0.0007","90","","92.994","0.003","90","","4085.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C192 H136 N16 O36 Zn8 -","4","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","0.71073","MoKα","","0.0821","0.0567","","","0.1286","0.1396","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509964","18.615","0.003","18.615","0.003","29.464","0.006","90","","90","","120","","8842","3","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C24 H16 N2 O4 Zn -","- C24 H16 N2 O4 Zn -","- C288 H192 N24 O48 Zn12 -","12","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","1.54178","CuKα","","0.0494","0.0437","","","0.1267","0.1363","","","","","","1.087","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4509965","16.0577","0.0018","15.9369","0.0015","16.9495","0.0015","90","","109.367","0.011","90","","4092.1","0.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N4 O9 Zn2 -","- C48 H34 N4 O9 Zn2 -","- C192 H136 N16 O36 Zn8 -","4","1","","Dai, Ming; Su, Xin-Ran; Wang, Xiao; Wu, Bing; Ren, Zhi-Gang; Zhou, Xuan; Lang, Jian-Ping","Three Zinc(II) Coordination Polymers Based on Tetrakis(4-pyridyl)cyclobutane and Naphthalenedicarboxylate Linkers: Solvothermal Syntheses, Structures, and Photocatalytic Properties","Crystal Growth & Design","2014","14","1","240","","10.1021/cg4014416","","","0.71073","MoKα","","0.1492","0.0693","","","0.1166","0.1378","","","","","","0.984","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509966","28.575","0.003","5.6644","0.0007","13.5525","0.0016","90","","93.238","0.002","90","","2190.1","0.4","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H24 Cl N O4 S -","- C24 H24 Cl N O4 S -","- C96 H96 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0413","0.0397","","","0.0945","0.0954","","","","","","1.141","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509967","29.15","0.003","5.7776","0.0007","13.7903","0.0016","90","","91.043","0.002","90","","2322.1","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C25 H26 Cl N O4 S -","- C25 H26 Cl N O4 S -","- C100 H104 Cl4 N4 O16 S4 -","4","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0714","0.062","","","0.1576","0.1657","","","","","","1.056","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509968","13.662","0.005","5.636","0.0018","31.744","0.011","90","","101.091","0.005","90","","2398.6","1.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H28 Cl N O4 S -","- C26 H28 Cl N O4 S -","- C104 H112 Cl4 N4 O16 S4 -","4","2","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.0945","0.0758","","","0.2216","0.2413","","","","","","1.103","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509969","13.626","0.003","5.771","0.0012","17.465","0.004","90","","109.134","0.004","90","","1297.5","0.5","93","2","93","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Wakabayashi, Takashi; Amako, Tomoyuki; Tabata, Hideyuki; Kuroda, Reiko; Imai, Yoshitane","Preparation and Guest Release Properties of Supramolecular 3-Chlorobenzo[b]thiophene Heterocyclic Host Complex","Crystal Growth & Design","2014","14","1","32","","10.1021/cg401012n","","","0.71073","MoKα","","0.1325","0.0797","","","0.1909","0.2237","","","","","","1.036","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509970","9.191","0.0009","19.0375","0.0018","20.248","0.002","90","","97.709","0.002","90","","3510.8","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C64 H132 N4 O8 -","- C64 H106 N4 O8 -","- C128 H212 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1073","0.0889","","","0.2646","0.2949","","","","","","1.213","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509971","9.1784","0.0014","19.071","0.003","22.284","0.003","90","","93.151","0.004","90","","3894.7","1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C72 H148 N4 O8 -","- C72 H120 N4 O8 -","- C144 H240 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1542","0.1026","","","0.2766","0.3316","","","","","","1.034","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509972","9.292","0.0019","18.94","0.004","22.831","0.005","90","","90.94","0.03","90","","4017.5","1.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C76 H132 N4 O8 -","- C76 H132 N4 O8 -","- C152 H264 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1453","0.0983","","","0.2727","0.3475","","","","","","1.047","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509973","9.172","0.0018","18.993","0.004","24.386","0.005","90","","90.19","0.03","90","","4248.1","1.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C80 H164 N4 O8 -","- C80 H130 N4 O8 -","- C160 H260 N8 O16 -","2","1","","Adalder, Tapas Kumar; Kumar, Dhurjati Prasad; Dastidar, Parthasarathi","High-Throughput Crystal Engineering Based Synthesis of Supramolecular Gels: Blue-Emitting Fluorescent Gold Clusters Synthesized and Stabilized on the Gel-Bed","Crystal Growth & Design","2014","14","1","11","","10.1021/cg401466g","","","0.71073","MoKα","","0.1664","0.1176","","","0.2758","0.3353","","","","","","1.879","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509974","9.2946","0.0011","10.8638","0.0012","10.7403","0.0012","90","","113.337","0.001","90","","995.8","0.2","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 S -","- C10 H8 N4 S -","- C40 H32 N16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0376","","","0.0657","0.0732","","","","","","0.909","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509975","12.9222","0.0013","10.3009","0.0013","22.021","0.003","90","","104.94","0.003","90","","2832.1","0.6","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag F3 N4 O2 S -","- C12 H8 Ag F3 N4 O2 S -","- C96 H64 Ag8 F24 N32 O16 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.044","0.0367","","","0.0888","0.0927","","","","","","1.074","","","","has coordinates,has disorder","179635","2020-10-21","18:00:00",""
"4509976","26.457","0.012","8.367","0.004","15.214","0.009","90","","119.368","0.004","90","","2935","3","291","2","291","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Ag F3 N4 O2 S -","- C12 H8 Ag F3 N4 O2 S -","- C96 H64 Ag8 F24 N32 O16 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0684","0.0555","","","0.1689","0.1788","","","","","","1.074","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509977","13.254","0.002","7.3495","0.0013","13.555","0.002","90","","110.68","0.003","90","","1235.3","0.3","291","2","291","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H16 Ag2 N10 O6 S2 -","- C20 H16 Ag2 N10 O6 S2 -","- C40 H32 Ag4 N20 O12 S4 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0689","0.0601","","","0.1664","0.1729","","","","","","1.142","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509978","9.4803","0.0014","9.4473","0.0014","15.163","0.002","90","","94.868","0.002","90","","1353.1","0.3","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Ag N5 O4 S -","- C10 H10 Ag N5 O4 S -","- C40 H40 Ag4 N20 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0592","0.0366","","","0.0709","0.0803","","","","","","0.956","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509979","9.5081","0.0006","13.1649","0.0009","13.5056","0.001","90","","127.054","0.001","90","","1349.16","0.16","291","2","291","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Ag Cl N4 O4 S -","- C10 H8 Ag Cl N4 O4 S -","- C40 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0392","0.0355","","","0.1077","0.1106","","","","","","1.063","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509980","9.3474","0.0011","10.4189","0.0012","14.0975","0.0016","90","","97.117","0.002","90","","1362.4","0.3","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Ag Cl N4 O4 S -","- C10 H8 Ag Cl N4 O4 S -","- C40 H32 Ag4 Cl4 N16 O16 S4 -","4","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0671","0.0411","","","0.0965","0.1268","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4509981","13.123","0.001","20.4789","0.0016","13.487","0.001","90","","90","","90","","3624.6","0.5","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C96 H88 Ag8 F48 N40 P8 S8 -","8","1","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0601","0.049","","","0.1551","0.1615","","","","","","1.118","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509982","6.434","0.004","15.763","0.002","8.963","0.004","90","","100.968","0.018","90","","892.4","0.7","291","2","291","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C12 H11 Ag F6 N5 P S -","- C12 H11 Ag F6 N5 P S -","- C24 H22 Ag2 F12 N10 P2 S2 -","2","0.5","","Hu, Bin; Tao, Tao; Bin, Zheng-Yang; Peng, Yu-Xin; Ma, Bin-Bin; Huang, Wei","Architectural Diversity for Anion-Mediated Self-Assembly of Four Pairs of Silver(I) Polymeric Isomers Having Linear andV-Shaped Imidazole/Thiophene/Imidazole Bridging Spacers","Crystal Growth & Design","2014","14","1","300","","10.1021/cg401581q","","","0.71073","MoKα","","0.0653","0.0516","","","0.1427","0.1537","","","","","","1.058","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509983","7.2162","0.0003","16.0626","0.0006","26.1991","0.001","90","","91.975","0.001","90","","3035","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Co N6 O11 -","- C31 H26 Co N6 O11 -","- C124 H104 Co4 N24 O44 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0475","0.0411","","","0.1143","0.1187","","","","","","1.045","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509984","7.245","0.0004","16.1456","0.0008","26.6414","0.0013","90","","91.899","0.001","90","","3114.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cd N6 O11 -","- C31 H26 Cd N6 O11 -","- C124 H104 Cd4 N24 O44 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0491","0.0414","","","0.1099","0.1155","","","","","","1.008","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509985","15.8744","0.0012","12.6089","0.0009","27.9469","0.0019","90","","94.076","0.001","90","","5579.7","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Co2 N12 O20 -","- C62 H44 Co2 N12 O20 -","- C248 H176 Co8 N48 O80 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0914","0.0516","","","0.112","0.1302","","","","","","1.013","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509986","15.9719","0.0013","12.927","0.001","27.989","0.002","90","","94.883","0.001","90","","5757.9","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H44 Cd2 N12 O20 -","- C62 H43 Cd2 N12 O20 -","- C248 H172 Cd8 N48 O80 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0762","0.0594","","","0.1334","0.1424","","","","","","1.062","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509987","7.3615","0.0005","11.515","0.0008","17.673","0.0012","94.342","0.001","101.267","0.001","97.944","0.001","1446.97","0.17","106","2","106","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Co2 N6 O10 -","- C31 H20 Co2 N6 O10 -","- C62 H40 Co4 N12 O20 -","2","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0517","0.0405","","","0.0985","0.1051","","","","","","1.032","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509988","18.296","0.002","9.8044","0.0011","13.0202","0.0015","90","","90","","90","","2335.6","0.5","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H18 Co N6 O6 S -","- C21 H18 Co N6 O6 S -","- C84 H72 Co4 N24 O24 S4 -","4","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.0582","0.0422","","","0.0976","0.1061","","","","","","0.992","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509989","10.732","0.0011","20.421","0.002","22.125","0.002","90","","90","","90","","4848.9","0.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H20 Cd N6 O7 S -","- C21 H20 Cd N6 O7 S -","- C168 H160 Cd8 N48 O56 S8 -","8","1","","Wang, Hao; Yi, Fei-Yan; Dang, Song; Tian, Wan-Guo; Sun, Zhong-Ming","Rational Assembly of Co/Cd-MOFs Featuring Topological Variation","Crystal Growth & Design","2014","14","1","147","","10.1021/cg4013334","","","0.71073","MoKα","","0.074","0.045","","","0.1107","0.1253","","","","","","1.023","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509990","14.4328","0.0008","14.4328","0.0008","11.3654","0.0013","90","","90","","120","","2050.3","0.3","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 N6 Ni S9 Sb4 Sn -","- C6 H24 N6 Ni S9 Sb4 Sn -","- C18 H72 N18 Ni3 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.024","0.0206","","","0.0409","0.0419","","","","","","1.029","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509991","14.4431","0.001","14.4431","0.001","11.379","0.0017","90","","90","","120","","2055.7","0.4","296","2","296","2","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C6 H24 Co N6 S9 Sb4 Sn -","- C6 H24 Co N6 S9 Sb4 Sn -","- C18 H72 Co3 N18 S27 Sb12 Sn3 -","3","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0265","0.0212","","","0.0353","0.0367","","","","","","1.033","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509992","11.6991","0.0007","11.1853","0.0007","32.2459","0.0019","90","","95.566","0.001","90","","4199.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 Mn2 N12 S9 Sb4 -","- C16 H52 Mn2 N12 S9 Sb4 -","- C64 H208 Mn8 N48 S36 Sb16 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Ma, Yun-Xiang; Sheng, Ning; Yang, Ya-Dong; Liu, Guo-Dong; Zhai, Xiu-Rong","[TM(en)3][SnSb4S9] (TM = Ni, Co): 3D Chiral Framework of Mixed Main-Group Metals and [Mn(dien)2]2Sb4S9: 1D Chains with Mixed-Valent Sb Centers","Crystal Growth & Design","2014","14","1","101","","10.1021/cg401208p","","","0.71073","MoKα","","0.0696","0.0408","","","0.0725","0.0795","","","","","","1.067","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509993","11.094","0.008","11.531","0.008","11.635","0.008","87.702","0.01","63.717","0.008","79.934","0.009","1312.8","1.6","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H21 Ag F3 N3 O5 S2 -","- C25 H21 Ag F3 N3 O5 S2 -","- C50 H42 Ag2 F6 N6 O10 S4 -","2","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1327","0.0857","","","0.2112","0.2429","","","","","","1.003","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509994","34.543","0.009","8.324","0.002","15.572","0.004","90","","92.096","0.004","90","","4475","2","120","","120","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C48 H42 Ag B F4 N6 O4 S2 -","- C48 H42 Ag B F4 N6 O4 S2 -","- C192 H168 Ag4 B4 F16 N24 O16 S8 -","4","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1074","0.0535","","","0.0961","0.1151","","","","","","1.007","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509995","20.743","0.003","5.7353","0.0007","18.342","0.002","90","","112.779","0.001","90","","2011.9","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N3 O2 S -","- C24 H21 N3 O2 S -","- C96 H84 N12 O8 S4 -","4","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.0691","0.0448","","","0.0959","0.1068","","","","","","1.027","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509996","18.845","0.003","18.777","0.003","12.6102","0.0019","90","","115.589","0.002","90","","4024.5","1.1","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N3 O2 S -","- C24 H21 N3 O2 S -","- C192 H168 N24 O16 S8 -","8","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.0746","0.0465","","","0.1071","0.1211","","","","","","1.059","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509997","12.277","0.004","22.291","0.007","45.968","0.014","90","","90","","90","","12580","7","120","","120","","","","","","","","","8","I b a m","-I 2 2c","72","","","","- C49 H42 Ag1.5 F6 N6 O6 S2 Sb -","- C50 H42 Ag1.5 F6 N6 O7 S2 Sb -","- C400 H336 Ag12 F48 N48 O56 S16 Sb8 -","8","0.5","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.2095","0.1041","","","0.2893","0.3294","","","","","","0.868","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4509998","21.37","0.004","19.497","0.004","7.47","0.0014","90","","91.055","0.003","90","","3111.9","1","150","","150","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Ag B Cl3 F4 N4 O2 S -","- C27 H25 Ag B Cl3 F4 N4 O2 S -","- C108 H100 Ag4 B4 Cl12 F16 N16 O8 S4 -","4","1","","Katagiri, Kosuke; Sakai, Takahiro; Hishikawa, Maiko; Masu, Hyuma; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao","Synthesis, Structure, and Thermal Stability of Silver(I) Coordination Polymers with Bis(pyridyl) Ligands Linked by an Aromatic Sulfonamide: One-Dimensional-Straight Chain, One-Dimensional-Columnar with Helical Components, and Two-Dimensional-Layer Network Structures","Crystal Growth & Design","2014","14","1","199","","10.1021/cg4013944","","","0.71073","MoKα","","0.1609","0.0931","","","0.2614","0.3469","","","","","","1.199","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4509999","10.225","0.002","10.197","0.002","23.917","0.005","90","","99.794","0.002","90","","2457.3","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 O8 P2 U -","- C20 H26 N2 O8 P2 U -","- C80 H104 N8 O32 P8 U4 -","4","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0339","0.0265","","","0.0571","0.0598","","","","","","1.035","","","","has coordinates","179635","2020-10-21","18:00:00",""
"4510000","10.6043","0.0007","16.4306","0.0011","21.8094","0.0014","90","","90.493","0.001","90","","3799.8","0.4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Cl2 N4 O10 P2 U2 -","- C28 H16 Cl2 N4 O10 P2 U2 -","- C112 H64 Cl8 N16 O40 P8 U8 -","4","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0291","0.0246","","","0.0587","0.061","","","","","","1.073","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510001","9.8611","0.0007","10.0415","0.0007","10.7103","0.0007","71.712","0.001","65.666","0.001","68.082","0.001","880.27","0.11","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H22 N2 O8 P2 U -","- C11 H22 N2 O8 P2 U -","- C22 H44 N4 O16 P4 U2 -","2","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0229","0.0199","","","0.0433","0.0444","","","","","","1.015","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510002","8.8825","0.0005","11.7704","0.0007","12.1185","0.0007","118.082","0.001","90.882","0.001","91.923","0.001","1116.51","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H20 N2 O12 P3 U -","- C15 H20 N2 O12 P3 U -","- C30 H40 N4 O24 P6 U2 -","2","1","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0213","0.0185","","","0.0462","0.0549","","","","","","1.232","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510003","9.4611","0.0018","13.424","0.003","13.453","0.003","67.36","0.003","70.649","0.004","88.418","0.004","1478","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H58 N4 O34 P8 U5 -","- C28 H58 N4 O34 P8 U5 -","- C28 H58 N4 O34 P8 U5 -","1","0.5","","Parker, T. Gannon; Cross, Justin N.; Polinski, Matthew J.; Lin, Jian; Albrecht-Schmitt, Thomas E.","Ionothermal and Hydrothermal Flux Syntheses of Five New Uranyl Phosphonates","Crystal Growth & Design","2014","14","1","228","","10.1021/cg401435w","","","0.71073","MoKα","","0.0243","0.0198","","","0.0452","0.0465","","","","","","1.073","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510004","10.7378","0.0006","10.9492","0.0006","6.4879","0.0003","100.481","0.006","93.069","0.006","89.954","0.002","748.95","0.07","20","","20","","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene chloranil","","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C24 H8 Cl8 O4 S8 -","2","1","","Lapidus, Saul H.; Naik, Amit; Wixtrom, Alex; Massa, Nestor E.; Ta Phuoc, Vinh; del Campo, Leire; Lebègue, Sébastien; Ángyán, János G.; Abdel-Fattah, Tarek; Pagola, Silvina","The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure","Crystal Growth & Design","2014","14","1","91","","10.1021/cg401203r","powder diffraction","x-ray","0.699931","","","","","","","","","","0.0649","1.16","","","","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510005","10.7692","0.0003","11.0465","0.0003","6.6085","0.0001","101.356","0.003","93.669","0.002","89.295","0.001","769.19","0.03","298","","298","","","","","","","","","5","P -1","-P 1","2","tetrathiafulvalene chloranil","","","- C12 H4 Cl4 O2 S4 -","- C12 H4 Cl4 O2 S4 -","- C24 H8 Cl8 O4 S8 -","2","1","","Lapidus, Saul H.; Naik, Amit; Wixtrom, Alex; Massa, Nestor E.; Ta Phuoc, Vinh; del Campo, Leire; Lebègue, Sébastien; Ángyán, János G.; Abdel-Fattah, Tarek; Pagola, Silvina","The Black Polymorph of TTF-CA: TTF Polymorphism and Solvent Effects in Mechanochemical and Vapor Digestion Syntheses, FT-IR, Crystal Packing, and Electronic Structure","Crystal Growth & Design","2014","14","1","91","","10.1021/cg401203r","powder diffraction","x-ray","0.699931","","","","","","","","","","0.0295","1.34","","","","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510006","21.312","0.01","21.312","0.01","16.548","0.003","90","","90","","90","","7516","5","113","2","113","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C48 H41 Cl5 M N27 O4 -","- C48 H32 Cl5 Mn6 N24 O4 -","- C192 H128 Cl20 Mn24 N96 O16 -","4","0.25","","Han, Song-De; Zhao, Jiong-Peng; Chen, Yong-Qiang; Liu, Sui-Jun; Miao, Xiao-Hong; Hu, Tong-Liang; Bu, Xian-He","A Spin-Canted Polynuclear Manganese Complex Comprised of Alternating Linkage of Cyclic Tetra-and Mononuclear Fragments","Crystal Growth & Design","2014","14","1","2","","10.1021/cg401335n","","","0.71073","MoKα","","0.0945","0.0843","","","0.2123","0.2198","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510007","10.2899","0.0003","12.2282","0.0004","10.1888","0.0007","90","","91.531","0.004","90","","1281.57","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Gd N O9 -","- C9 H8 Gd N O9 -","- C36 H32 Gd4 N4 O36 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0349","0.0303","","","0.0785","0.0825","","","","","","0.99","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510008","14.1072","0.001","11.1298","0.0008","15.0715","0.0012","90","","92.04","0.007","90","","2364.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 N3 O14 Tb2 -","- C21 H13 N3 O14 Tb2 -","- C84 H52 N12 O56 Tb8 -","4","0.5","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0573","0.0509","","","0.1233","0.1283","","","","","","1.075","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510009","7.6082","0.0003","17.0721","0.0004","8.2971","0.0003","90","","104.215","0.004","90","","1044.7","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Er N O7 -","- C9 H6 Er N O7 -","- C36 H24 Er4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0449","0.0407","","","0.1002","0.1043","","","","","","1.036","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510010","7.6299","0.0003","17.0477","0.0007","8.3505","0.0003","90","","104.34","0.005","90","","1052.33","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Dy N O7 -","- C9 H6 Dy N O7 -","- C36 H24 Dy4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0332","0.0282","","","0.0674","0.0708","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510011","7.6349","0.0003","17.1484","0.0005","8.4454","0.0003","90","","104.922","0.004","90","","1068.44","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 Gd N O7 -","- C9 H6 Gd N O7 -","- C36 H24 Gd4 N4 O28 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0331","0.0259","","","0.0597","0.0638","","","","","","0.963","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510012","15.8757","0.001","9.0998","0.0005","18.7296","0.0012","90","","111.039","0.007","90","","2525.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 N O8 Sm -","- C9 H8 N O8 Sm -","- C72 H64 N8 O64 Sm8 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0444","0.0356","","","0.0923","0.0981","","","","","","1.047","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510013","7.6339","0.0005","17.072","0.0009","8.3853","0.0004","90","","104.517","0.006","90","","1057.93","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N O7 Tb -","- C9 H6 N O7 Tb -","- C36 H24 N4 O28 Tb4 -","4","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0332","0.0289","","","0.0696","0.0714","","","","","","1.023","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510014","15.89","0.002","9.0934","0.0014","18.737","0.003","90","","111.075","0.002","90","","2526.3","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Eu N O8 -","- C9 H8 Eu N O8 -","- C72 H64 Eu8 N8 O64 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0508","0.0485","","","0.1987","0.1997","","","","","","1.065","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510015","15.9586","0.0007","9.0571","0.0004","18.904","0.0012","90","","111.473","0.006","90","","2542.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 Cu0 Gd N O8 -","- C9 H8 Gd N O8 -","- C72 H64 Gd8 N8 O64 -","8","1","","Wang, Xiao; Zhai, Quan-Guo; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng","Synthesis, Crystal Structures, and Solid-State Luminescent Properties of Diverse Ln‒Pyridine-3,5-Dicarboxylate Coordination Polymers Modulated by the Ancillary Ligand","Crystal Growth & Design","2014","14","1","177","","10.1021/cg401365x","","","0.71073","MoKα","","0.0292","0.0268","","","0.077","0.0786","","","","","","1.059","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510016","8.0541","0.0008","8.3073","0.0008","14.7666","0.0013","85.767","0.007","87.441","0.008","66.606","0.009","904.18","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N6 O8 S -","- C13 H20 N6 O8 S -","- C26 H40 N12 O16 S2 -","2","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine‒Urea-Based Anion Receptor: Formation of Cyclic Sulfate‒Water Hexamer and Dihydrogen Phosphate‒Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.0706","0.0482","","","0.1108","0.129","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510017","9.009","0.002","14.1152","0.0017","15.276","0.004","116.185","0.017","97.676","0.019","93.033","0.014","1713.9","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 N6 O6.5 P -","- C13 H18 N6 O6.5 P -","- C52 H72 N24 O26 P4 -","4","2","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine‒Urea-Based Anion Receptor: Formation of Cyclic Sulfate‒Water Hexamer and Dihydrogen Phosphate‒Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.1316","0.0825","","","0.247","0.3407","","","","","","1.068","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510018","7.5545","0.0004","8.7273","0.0004","16.7176","0.0009","79.566","0.003","80.063","0.003","70.872","0.003","1016.49","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl2 N6 O11 -","- C13 H18 Cl2 N6 O11 -","- C26 H36 Cl4 N12 O22 -","2","1","","Hoque, Md. Najbul; Basu, Arghya; Das, Gopal","Pyridine‒Urea-Based Anion Receptor: Formation of Cyclic Sulfate‒Water Hexamer and Dihydrogen Phosphate‒Water Trimer in Hydrophobic Environment","Crystal Growth & Design","2014","14","1","6","","10.1021/cg4015724","","","0.71073","MoKα","","0.08","0.0623","","","0.1987","0.2118","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510019","8.1791","0.0009","14.041","0.002","20.311","0.003","107.534","0.007","95.216","0.006","100.316","0.006","2162","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.5 H21 N O3 -","- C29.5 H21 N O3 -","- C118 H84 N4 O12 -","4","2","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","0.71073","MoKα","","0.2309","0.0857","","","0.1561","0.2054","","","","","","1.264","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510020","4.672","0.001","43.934","0.008","15.519","0.003","90","","96.876","0.009","90","","3162.5","1.1","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C40 H45 N O3 -","- C40 H45 N O3 -","- C160 H180 N4 O12 -","4","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","1.5418","CuKα","","0.3422","0.1905","","","0.2675","0.3377","","","","","","1.226","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510021","9.294","0.002","10.2523","0.0017","12.7","0.003","99.545","0.012","105.418","0.016","93.466","0.013","1143.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Cl3 N O3 -","- C27 H18 Cl3 N O3 -","- C54 H36 Cl6 N2 O6 -","2","1","","Peebles, Cameron; Alvey, Paul M; Lynch, Vincent; Iverson, Brent L","Time-Dependent Solid State Polymorphism of a Series of Donor-Acceptor Dyads.","Crystal growth & design","2014","14","1","290","299","10.1021/cg401522v","","","0.71073","MoKα","","0.1497","0.0624","","","0.1284","0.1644","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510022","17.8321","0.0017","46.606","0.004","18.9497","0.0018","90","","114.056","0.006","90","","14381","2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69.25 H90.75 N4.25 O10.25 Zn -","- C58 H66 N2 O8 Zn -","- C464 H528 N16 O64 Zn8 -","8","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.0877","0.0713","","","0.1987","0.2129","","","","","","1.033","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510023","10.539","0.008","12.738","0.01","23.029","0.019","103.24","0.016","95.592","0.014","91.319","0.017","2992","4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C113 H137 N3 O17 Zn2 -","- C108 H126 N2 O16 Zn2 -","- C108 H126 N2 O16 Zn2 -","1","0.5","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.71073","MoKα","","0.1431","0.1246","","","0.3338","0.3485","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510024","26.249","0.003","10.0932","0.0013","47.44","0.006","90","","90","","90","","12569","3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C121 H151 N9 O21 Zn2 -","- C116 H132 N8 O20 Zn2 -","- C464 H528 N32 O80 Zn8 -","4","1","","Redshaw, Carl; Rowe, Oliver; Elsegood, Mark R. J.; Horsburgh, Lynne; Teat, Simon J.","Pillared Two-Dimensional Metal–Organic Frameworks Based on a Lower-Rim Acid Appended Calix[4]arene","Crystal Growth & Design","2014","14","1","270","","10.1021/cg4014703","","","0.7749","synchrotron","","0.096","0.0835","","","0.2156","0.2235","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4510025","20.709","0.004","20.757","0.004","14.872","0.003","90","","129.01","0.03","90","","4967","3","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C24 H135 Cu6 Ge N24 Nb12 O62 V2 -","- C24 H64 Cu6 Ge N24 Nb12 O62 V2 -","- C48 H128 Cu12 Ge2 N48 Nb24 O124 V4 -","2","0.25","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.0937","0.072","","","0.1879","0.2012","","","","","","1.048","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510026","20.746","0.004","20.789","0.004","14.94","0.003","90","","129.11","0.03","90","","5000","3","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C24 H138 Cu6 N24 Nb12 O63 Si V2 -","- C24 H64 Cu6 N24 Nb12 O63 Si V2 -","- C48 H128 Cu12 N48 Nb24 O126 Si2 V4 -","2","0.25","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.0777","0.0623","","","0.1773","0.1887","","","","","","1.01","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510027","28.918","0.006","27.275","0.005","13.638","0.003","90","","93.88","0.03","90","","10732","4","293","2","293","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C12 H94 Cu3 Ge K2 N12 Na4 Nb12 O65 V2 -","- C12 Cu3 Ge K2 N12 Na4 Nb12 O65 V2 -","- C48 Cu12 Ge4 K8 N48 Na16 Nb48 O260 V8 -","4","0.5","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.1065","0.0697","","","0.1913","0.2126","","","","","","0.994","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510028","28.942","0.006","27.294","0.006","13.568","0.003","90","","93.87","0.03","90","","10694","4","293","2","293","2","","","","","","","","10","C 1 2/m 1","-C 2y","12","","","","- C12 H86 Cu3 K2 N12 Na4 Nb12 O61 Si V2 -","- C12 H48 Cu3 K2 N12 Na4 Nb12 O61 Si V2 -","- C48 H192 Cu12 K8 N48 Na16 Nb48 O244 Si4 V8 -","4","0.5","","Zhang, Ying; Shen, Jian-Qiang; Zheng, Li-Hua; Zhang, Zhi-Ming; Li, Yu-Xin; Wang, En-Bo","Four Polyoxonibate-Based Inorganic‒Organic Hybrids Assembly from Bicapped Heteropolyoxonibate with Effective Antitumor Activity","Crystal Growth & Design","2014","14","1","110","","10.1021/cg401227g","","","0.71073","MoKα","","0.1477","0.0824","","","0.1897","0.218","","","","","","1.053","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510041","8.408","0.003","6.082","0.002","13.429","0.005","90","","90.023","0.005","90","","686.7","0.4","150","2","150","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C22 H14 -","- C22 H14 -","- C44 H28 -","2","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.0663","0.0427","","","0.1001","0.1121","","","","","","1.123","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510042","7.9197","0.0001","6.9998","0.0001","42.9408","0.0008","90","","91.429","0.001","90","","2379.74","0.06","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H14 F4 N4 -","- C34 H14 F4 N4 -","- C136 H56 F16 N16 -","4","1","","Mahns, Benjamin; Kataeva, Olga; Islamov, Daut; Hampel, Silke; Steckel, Frank; Hess, Christian; Knupfer, Martin; Büchner, Bernd; Himcinschi, Cameliu; Hahn, Torsten; Renger, Roman; Kortus, Jens","Crystal Growth, Structure, and Transport Properties of the Charge-Transfer Salt Picene/2,3,5,6-Tetrafluoro-7,7,8,8-tetracyanoquinodimethane","Crystal Growth & Design","2014","14","3","1338","","10.1021/cg401841n","","x-ray","0.71073","MoKα","","0.1124","0.0699","","","0.1915","0.2146","","","","","","1.12","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510043","10.5235","0.0002","12.9016","0.0002","17.2177","0.0003","90","","107.834","0.001","90","","2225.32","0.07","105","2","105","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.048","0.0321","","","0.087","0.0919","","","","","","1.03","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510044","10.5235","0.0002","12.9016","0.0002","17.2177","0.0003","90","","107.834","0.001","90","","2225.32","0.07","105","2","105","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0448","0.0242","","","","0.0217","","","","","","1.109","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510045","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0288","0.0259","","","0.0825","0.0838","","","","","","1.139","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510046","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0214","0.0177","","","","0.0249","","","","","","1.649","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510047","8.1904","0.0002","8.5345","0.0002","15.4497","0.0003","90","","94.155","0.001","90","","1077.11","0.04","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","neutron","0.42","neutrons","","0.0943","0.0602","","","0.1147","0.1197","","","","","","1.071","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510048","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0425","0.0331","","","0.0992","0.1033","","","","","","1.098","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510049","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0414","0.0258","","","","0.037","","","","","","1.989","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510050","17.4174","0.0006","8.4911","0.0003","15.4952","0.0005","90","","112.761","0.002","90","","2113.17","0.13","100","2","100","2","","","","","","","as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C72 H72 N24 O16 S16 -","8","2","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.42","neutrons","","0.0717","0.07","","","0.1534","0.1543","","","","","","1.074","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510051","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0285","0.0245","","","0.0747","0.0766","","","","","","1.08","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510052","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.71073","MoKα","","0.0191","0.0141","","","","0.0172","","","","","","1.103","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510053","10.7891","0.0002","8.4836","0.0001","11.3978","0.0002","90","","91.643","0.001","90","","1042.82","0.03","100","2","100","2","","","","","","","as described","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 N3 O2 S2 -","- C9 H9 N3 O2 S2 -","- C36 H36 N12 O8 S8 -","4","1","","Sovago, Ioana; Gutmann, Matthias J; Hill, J Grant; Senn, Hans Martin; Thomas, Lynne H; Wilson, Chick C; Farrugia, Louis J","Experimental Electron Density and Neutron Diffraction Studies on the Polymorphs of Sulfathiazole.","Crystal growth & design","2014","14","3","1227","1239","10.1021/cg401757z","","x-ray","0.42","neutrons","","0.0724","0.0724","","","0.1452","0.1452","","","","","","1.097","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510054","26.138","0.003","35.912","0.003","22.594","0.002","90","","90","","90","","21208","4","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C136 H188 Cu12 N4 O68 -","- C136 H120 Cu12 N4 O68 -","- C544 H480 Cu48 N16 O272 -","4","0.25","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.114","0.0711","","","0.2172","0.2417","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510055","27.73","0.003","11.6608","0.0011","5.118","0.0005","90","","90","","90","","1654.9","0.3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C15 H24 Co O10 -","- C15 H16 Co O10 -","- C60 H64 Co4 O40 -","4","0.5","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0466","0.0444","","","0.1566","0.1597","","","","","","1.353","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510056","15.437","0.005","15.985","0.005","16.475","0.006","90","","90.145","0.013","90","","4065","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 K O10 Zn -","- C15 H15 K O10 Zn -","- C120 H120 K8 O80 Zn8 -","8","1","","Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi","Secondary Building Unit (SBU) Controlled Formation of a Catalytically Active Metal‒Organic Polyhedron (MOP) Derived from a Flexible Tripodal Ligand","Crystal Growth & Design","2014","14","3","1331","","10.1021/cg4018322","","","0.71073","MoKα","","0.0955","0.0627","","","0.1734","0.1916","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510057","26.6907","0.0006","26.6907","","10.8875","0.0002","90","","90","","120","","6717.1","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman methanol clathrate","","- C55 H64 O7 -","- C55 H60 O7 -","- C330 H360 O42 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0515","0.0419","","","0.1128","0.1161","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510058","26.7277","0.0016","26.7277","","10.861","0.0005","90","","90","","120","","6719.3","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C55 H63 N O8 -","- C54.9999 H62.9997 N0.9999 O7.9998 -","- C329.999 H377.998 N5.9994 O47.9988 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0841","0.0702","","","0.1761","0.1836","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510059","26.6925","0.0014","26.6925","","10.9396","0.0004","90","","90","","120","","6750.1","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman ethanol clathrate","","- C56 H66 O7 -","- C55.9998 H65.9994 O6.9999 -","- C335.999 H395.996 O41.9994 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0921","0.0611","","","0.1466","0.1537","","","","","","1.029","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510060","26.8114","0.0006","26.8114","","10.8567","0.0003","90","","90","","120","","6758.8","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman dichloroethane clathrate","","- C110 H124 Cl2 O12 -","- C110 H124.001 Cl2.0004 O12 -","- C330.001 H372.002 Cl6.0012 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0608","0.0549","","","0.161","0.165","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510061","26.7934","0.0006","26.7934","","10.8917","0.0002","90","","90","","120","","6771.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman hexane clathrate","","- C114 H134 O12 -","- C113.999 H133.999 O12 -","- C341.998 H401.996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","1.54178","CuKα","","0.0422","0.0366","","","0.0954","0.1","","","","","","1.005","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510062","26.626","0.0004","26.626","","11.0546","0.0002","90","","90","","120","","6787.12","0.16","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetic acid clathrate","","- C56 H64 O8 -","- C56.0004 H64.0008 O8.0004 -","- C336.002 H384.005 O48.0024 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0467","0.04","","","0.1125","0.1153","","","","","","1.003","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510063","26.871","0.0008","26.871","","10.8595","0.0002","90","","90","","120","","6790.6","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman fluorobenzene clathrate","","- C114 H125 F O12 -","- C114.001 H125.001 F1.0002 O12 -","- C342.004 H375.003 F3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.081","0.0553","","","0.1552","0.1668","","","","","","1","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510064","26.8516","0.0014","26.8516","","10.9156","0.0005","90","","90","","120","","6815.8","0.5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman bromoform clathrate","","- C109 H121 Br3 O12 -","- C109 H121 Br3.0006 O12 -","- C327.001 H363.001 Br9.0018 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0684","0.0532","","","0.172","0.1773","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510065","26.8671","0.0008","26.8671","","10.8701","0.0002","90","","90","","120","","6795.3","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrachloride clathrate","","- C109 H120 Cl4 O12 -","- C109 H120 Cl4 O12 -","- C327 H360 Cl12 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0465","0.0397","","","0.1118","0.1146","","","","","","1.001","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510066","26.9382","0.0008","26.9382","","10.8315","0.0002","90","","90","","120","","6807","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman chlorobenzene clathrate","","- C114 H125 Cl O12 -","- C114.001 H125.001 Cl1.0002 O12 -","- C342.004 H375.003 Cl3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0714","0.0583","","","0.142","0.1477","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510067","26.971","0.001","26.971","","10.7851","0.0003","90","","90","","120","","6794.4","0.3","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman iodobenzene clathrate","","- C114 H125 I O12 -","- C114.001 H125.001 I1.0002 O12 -","- C342.004 H375.003 I3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.1283","0.1143","","","0.2206","0.2268","","","","","","1.163","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510068","26.9737","0.0006","26.9737","","10.8105","0.0002","90","","90","","120","","6811.7","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C114 H125 Br O12 -","- C114.001 H125.001 Br1.0002 O12 -","- C342.004 H375.003 Br3.0006 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0881","0.0854","","","0.1835","0.1847","","","","","","1.167","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510069","26.8442","0.0006","26.8442","","10.9227","0.0002","90","","90","","120","","6816.5","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman acetone clathrate","","- C57 H66 O7 -","- C57.0006 H66.0012 O7.0002 -","- C342.004 H396.007 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0587","0.0451","","","0.1144","0.1188","","","","","","1.001","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510070","26.9804","0.0008","26.9804","","10.8173","0.0002","90","","90","","120","","6819.4","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman toluene clathrate","","- C115 H128 O12 -","- C115.001 H128.002 O12 -","- C345.004 H384.005 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0946","0.0828","","","0.2136","0.2194","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510071","26.904","0.0006","26.904","","10.885","0.0002","90","","90","","120","","6823.3","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman benzene clathrate","","- C114 H126 O12 -","- C114.001 H126.001 O12 -","- C342.004 H378.004 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0638","0.0485","","","0.1474","0.1546","","","","","","1.004","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510072","26.8873","0.0008","26.8873","","10.9267","0.0002","90","","90","","120","","6840.9","0.2","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman carbon tetrahydrofuran clathrate","","- C58 H68 O7 -","- C58.0008 H68.0016 O7.0002 -","- C348.005 H408.01 O42.0012 -","6","0.333333","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.056","0.0458","","","0.1327","0.1378","","","","","","1.005","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510073","26.9547","0.0006","26.9547","","10.9143","0.0002","90","","90","","120","","6867.5","0.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","4-p-Hydroxyphenyl-2,2,4-trimethylchroman trimethyl acetonitrile clathrate","","- C113 H129 N O12 -","- C111.666 H129 N0.3332 O12 -","- C334.999 H387 N0.9996 O36 -","3","0.166667","","Lee, Jackson J.; Sobolev, Alexandre N.; Turner, Michael J.; Fuller, Rebecca O.; Iversen, Bo B.; Koutsantonis, George A.; Spackman, Mark A.","Molecular Imprisonment: Host Response to Guest Location, Orientation, and Dynamics in Clathrates of Dianin’s Compound","Crystal Growth & Design","2014","14","3","1296","","10.1021/cg4018129","","","0.71073","MoKα","","0.0709","0.0609","","","0.1664","0.1719","","","","","","1.002","","","","has coordinates,has disorder","179647","2020-10-21","18:00:00",""
"4510074","42.009","0.005","5.9508","0.0006","13.5541","0.0014","90","","92.817","0.005","90","","3384.3","0.6","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C21 H17 N5 -","- C21 H17 N5 -","- C168 H136 N40 -","8","2","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0506","0.0377","","","0.0879","0.0958","","","","","","1.05","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510075","37.7","0.004","5.7148","0.0006","7.2827","0.0008","90","","96.164","0.005","90","","1560","0.3","293","2","293","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H15 N5 -","- C20 H15 N5 -","- C80 H60 N20 -","4","1","","Laird, Rebecca C.; Nguyen, Nam P.; Rusch, Sara F.; Baltrusaitis, Jonas; Macgillivray, Leonard R.","Noncentrosymmetric Packings Influenced by Electronic Properties of Products of Click Reactions.","Crystal growth & design","2014","14","3","893","896","10.1021/cg4016542","","","0.71073","MoKα","","0.0797","0.0454","","","0.1027","0.1178","","","","","","0.977","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510076","10.667","0.002","18.767","0.004","11.252","0.002","90","","93.53","0.03","90","","2248.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C96 H88 N16 S8 -","4","1","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","x-ray","0.71073","MoKα","","0.1065","0.0602","","","0.1474","0.1793","","","","","","0.979","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510077","10.6469","0.001","18.7554","0.0017","11.2374","0.001","90","","93.539","0.002","90","","2239.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C96 H88 N16 S8 -","4","1","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","","0.71073","MoKα","","0.0602","0.0532","","","0.1456","0.1544","","","","","","1.028","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510078","15.815","0.003","18.657","0.004","14.626","0.003","90","","92.98","0.03","90","","4309.7","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,2-Bis-((4,6-Dimethyl-nicotinonitrile-yl)-sulfanyl)-benzene","","- C24 H22 N4 S2 -","- C24 H22 N4 S2 -","- C192 H176 N32 S16 -","8","2","","Dubey, Rashmi; Singh, Praveen; Singh, Ajeet K.; Yadav, Manoj K.; Swati, D.; Vinayak, Manjula; Puerta, Carmen; Valerga, Pedro; Ravi Kumar, K.; Sridhar, B.; Tewari, Ashish K.","Polymorphic Signature of the Anti-inflammatory Activity of 2,2′-{[1,2-Phenylenebis(methylene)]bis(sulfanediyl)}bis(4,6-dimethylnicotinonitrile)","Crystal Growth & Design","2014","14","3","1347","","10.1021/cg401842y","","x-ray","0.71073","MoKα","","0.0849","0.0563","","","0.1241","0.1416","","","","","","1.033","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510079","11.5714","0.0005","11.5714","0.0005","22.773","0.002","90","","90","","120","","2640.7","0.3","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C17 H15 N2 O5 Zn -","- C17 H15 N2 O5 Zn -","- C102 H90 N12 O30 Zn6 -","6","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.1161","0.0694","","","0.1921","0.2336","","","","","","0.986","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510080","8.301","0.003","11.146","0.004","13.363","0.005","86.427","0.007","84.122","0.007","83.573","0.008","1220.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H30 N7 O9 Zn -","- C17 H30 N7 O9 Zn -","- C34 H60 N14 O18 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0446","0.0394","","","0.0981","0.102","","","","","","0.988","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510081","8.1767","0.0007","9.8286","0.0005","10.5904","0.0012","96.118","0.006","110.718","0.009","98.952","0.006","774.24","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 N4 O4 Zn -","- C14 H16 N4 O4 Zn -","- C28 H32 N8 O8 Zn2 -","2","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0689","0.0473","","","0.0932","0.1077","","","","","","0.989","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510082","14.774","0.006","15.653","0.007","16.871","0.007","90","","90","","90","","3902","3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O11 Zn2 -","- C36 H32 N8 O11 Zn2 -","- C144 H128 N32 O44 Zn8 -","4","1","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.119","0.09","","","0.2053","0.2249","","","","","","1.044","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510083","17.37","0.005","12.694","0.004","12.332","0.004","90","","92.587","0.006","90","","2716.4","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N4 O9 Zn2 -","- C24 H24 N4 O9 Zn2 -","- C96 H96 N16 O36 Zn8 -","4","0.5","","Yang, Jin-Xia; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Tuning Different Kinds of Entangled Networks by Varying N-Donor Ligands: From Self-Penetrating to Multi-interpenetrating","Crystal Growth & Design","2014","14","3","1047","","10.1021/cg401519w","","","0.71073","MoKα","","0.0475","0.0399","","","0.1332","0.147","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510084","12.581","0.005","26.347","0.005","29.852","0.005","90","0.005","90","0.005","90","0.005","9895","5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C80 H30 F30 O22 Pb6 -","- C80 H30 F30 O22 Pb6 -","- C320 H120 F120 O88 Pb24 -","4","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71073","MoKα","","0.05","0.0391","","","0.0894","0.0953","","","","","","1.011","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510085","32.565","0.005","14.331","0.005","18.549","0.005","90","0.005","114.87","0.005","90","0.005","7854","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H18 F12 O10 Pb3 -","- C34 H18 F12 O10 Pb3 -","- C272 H144 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0595","0.0448","","","0.1072","0.1157","","","","","","0.994","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510086","32.486","0.005","14.351","0.005","18.557","0.005","90","0.005","114.461","0.005","90","0.005","7875","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H20 F12 O10 Pb3 -","- C35 H20 F12 O10 Pb3 -","- C280 H160 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0603","0.0454","","","0.1142","0.1244","","","","","","1.013","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510087","32.434","0.005","14.341","0.005","18.581","0.005","90","0.005","114.342","0.005","90","0.005","7874","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 F12 O10 Pb3 -","- C36 H22 F12 O10 Pb3 -","- C288 H176 F96 O80 Pb24 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0567","0.046","","","0.118","0.1261","","","","","","1.055","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510088","44.582","0.005","14.441","0.005","29.792","0.005","90","0.005","120.92","0.005","90","0.005","16455","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H24 F24 O21 Pb6 -","- C78 H24 F24 O21 Pb6 -","- C624 H192 F192 O168 Pb48 -","8","1","","Santra, Atanu; Bharadwaj, Parimal K.","Solvent-Induced Structural Diversity of Partially Fluorinated, Stable Pb(II) Metal‒Organic Frameworks and Their Luminescence Properties","Crystal Growth & Design","2014","14","3","1476","","10.1021/cg500030k","","","0.71069","MoKα","","0.0631","0.0413","","","0.1033","0.1103","","","","","","1.073","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510089","46.715","0.006","9.674","0.005","32.798","0.004","90","","100.79","0.005","90","","14560","8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cd2 N8 O16 -","- C54 H40 Cd2 N8 O16 -","- C432 H320 Cd16 N64 O128 -","8","1","","Sen, Susan; Yamada, Teppei; Kitagawa, Hiroshi; Bharadwaj, Parimal K.","3D Coordination Polymer of Cd(II) with an Imidazolium-Based Linker Showing Parallel Polycatenation Forming Channels with Aligned Imidazolium Groups","Crystal Growth & Design","2014","14","3","1240","","10.1021/cg401760m","","","0.71069","MoKα","","0.1672","0.0701","","","0.1564","0.1843","","","","","","0.803","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510090","7.2754","0.0011","16.048","0.003","25.129","0.004","90","","90","","90","","2934","0.8","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0452","0.0385","","","0.0884","0.0908","","","","","","1.061","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510091","7.262","0.002","7.837","0.001","27.115","0.002","90","","96.43","0.02","90","","1533.5","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0539","0.0472","","","0.1009","0.1054","","","","","","1.034","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510092","7.2139","0.0009","14.9348","0.0017","27.803","0.003","90","","90","","90","","2995.4","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Imazamox","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C120 H152 N24 O32 -","8","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","1.54178","CuKα","","0.0897","0.0582","","","0.1225","0.1363","","","","","","0.998","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510093","6.1344","0.0004","12.3989","0.0004","19.8456","0.0007","90","","90","","90","","1509.45","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","IMAZAMOX","","","- C15 H19 N3 O4 -","- C15 H19 N3 O4 -","- C60 H76 N12 O16 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Imazamox: A Quest for Polymorphic Modifications of a Chiral and Racemic Herbicide","Crystal Growth & Design","2014","14","3","1430","","10.1021/cg4019025","","","0.71073","MoKα","","0.0551","0.0428","","","0.099","0.1073","","","","","","0.949","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510094","28.0967","0.0008","28.0967","0.0008","22.9666","0.0014","90","","90","","120","","15701.4","1.1","296","2","296","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C54 H34 Li2 N0 O12 -","- C27 H17 Li O6 -","- C486 H306 Li18 O108 -","18","1","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.095","0.0677","","","0.1823","0.1971","","","","","","0.954","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510095","21.1288","0.0004","21.1288","0.0004","21.1288","0.0004","90","","90","","90","","9432.4","0.3","200","2","200","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C22 H22 Li4 N2 O13 -","- C21.9867 H6 Li4 N2 O13 -","- C263.84 H72 Li48 N24 O156 -","12","0.25","","Clough, Andrew; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Feng, Pingyun; Bu, Xianhui","New Lithium Ion Clusters for Construction of Porous MOFs","Crystal Growth & Design","2014","14","3","897","","10.1021/cg4016756","","","0.71073","MoKα","","0.0999","0.0834","","","0.2352","0.2535","","","","","","1.182","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510096","20.852","0.003","20.852","0.003","56.734","0.019","90","","90","","120","","21363","8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C114 H162 Cu6 N30 O48 -","- C114 H144 Cu6 N30 O48 -","- C684 H864 Cu36 N180 O288 -","6","0.333333","","El Bakkali, Hanan; Choquesillo-Lazarte, Duane; Domínguez-Martín, Alicia; Pérez-Toro, M. Inmaculada; Lezama, L.; González-Pérez, Josefa M.; Castiñeiras, Alfonso; Niclós-Gutiérrez, Juan","Cocrystallization of Mononuclear and Trinuclear Metallacycle Molecules from an Aqueous Mixed-Ligand Copper(II) Solution","Crystal Growth & Design","2014","14","3","889","","10.1021/cg4015898","","","0.71073","MoKα","","0.1164","0.0674","","","0.1713","0.1953","","","","","","0.992","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510097","13.299","0.0016","8.0627","0.001","22.101","0.003","90","","100.795","0.007","90","","2327.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 O2 -","- C13 H11 N3 O2 -","- C104 H88 N24 O16 -","8","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0571","0.0426","","","0.1136","0.1225","","","","","","1.052","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510098","7.279","0.004","11.601","0.006","13.669","0.007","90","","100.809","0.008","90","","1133.8","1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O3 -","- C13 H10 N2 O3 -","- C52 H40 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0704","0.0485","","","0.1073","0.1161","","","","","","1.039","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510099","7.4624","0.0016","7.7677","0.0017","10.981","0.002","91.289","0.006","95.146","0.007","102.19","0.007","619.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0589","0.0467","","","0.1249","0.1335","","","","","","1.036","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4510100","7.47","0.0007","6.7036","0.0006","24.933","0.002","90","","104.302","0.007","90","","1209.85","0.19","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N3 O4 -","- C13 H9 N3 O4 -","- C52 H36 N12 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0658","0.058","","","0.1549","0.1604","","","","","","1.108","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510101","9.0486","0.0011","10.8727","0.0013","23.603","0.003","90","","98.1","0.007","90","","2299","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O6 -","- C26 H24 N2 O6 -","- C104 H96 N8 O24 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71075","MoKα","","0.0775","0.0514","","","0.1171","0.1293","","","","","","1.04","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510102","17.085","0.019","5.193","0.005","22.891","0.016","90","","112.28","0.06","90","","1879","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N4 O5 -","- C20 H20 N4 O5 -","- C80 H80 N16 O20 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1038","0.0692","","","0.1615","0.2001","","","","","","1.145","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510103","11.481","0.004","17.733","0.005","18.57","0.006","76.543","0.005","88.68","0.006","81.754","0.006","3639","2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O6 -","- C28 H28 N2 O6 -","- C168 H168 N12 O36 -","6","3","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1657","0.0746","","","0.172","0.2146","","","","","","1.036","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510104","8.874","0.005","6.631","0.004","21.677","0.01","90","","110.72","0.018","90","","1193","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N4 O8 -","- C26 H22 N4 O8 -","- C52 H44 N8 O16 -","2","0.5","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0514","0.041","","","0.0966","0.1021","","","","","","1.052","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510105","10.0131","0.0009","9.7642","0.0008","12.7953","0.0011","90","","99.809","0.007","90","","1232.71","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0451","","","0.104","0.1136","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510106","8.968","","9.451","","9.637","","108.53","","105.05","","103.4","","702.458","","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H18 N2 O4 -","- C13 H18 N2 O4 -","- C26 H36 N4 O8 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0677","0.0541","","","0.1468","0.1566","","","","","","1.032","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510107","9.3411","0.0016","9.6823","0.0017","10.1738","0.0017","67.609","0.005","67.912","0.005","88.549","0.006","780.8","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N3 O4 -","- C14 H21 N3 O4 -","- C28 H42 N6 O8 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0713","0.0515","","","0.1445","0.1593","","","","","","0.978","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510108","7.9027","0.0016","9.251","0.002","9.692","0.002","70.636","0.005","77.528","0.007","79.727","0.007","648.3","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N2 O3 -","- C14 H16 N2 O3 -","- C28 H32 N4 O6 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.089","0.0535","","","0.1204","0.1383","","","","","","0.962","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510109","9.612","0.002","10.0841","0.0002","12.239","0.003","72.85","0.04","84.64","0.06","71.17","0.05","1072.9","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H26 N2 O6 -","- C23 H26 N2 O6 -","- C46 H52 N4 O12 -","2","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1165","0.0681","","","0.1455","0.2061","","","","","","1.328","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510110","6.6469","0.0008","12.9935","0.0015","16.782","0.002","90","","94.544","0.007","90","","1444.8","0.3","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H20 N2 O3 -","- C15 H20 N2 O3 -","- C60 H80 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0452","0.0395","","","0.0912","0.0942","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510111","11.0254","0.0019","11.0167","0.0019","16.124","0.002","90","","127.876","0.008","90","","1545.9","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O4 -","- C15 H21 N2 O4 -","- C60 H84 N8 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1125","0.0818","","","0.2038","0.218","","","","","","1.156","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510112","11.47","0.002","10.6498","0.0019","13.027","0.002","90","","121.303","0.011","90","","1359.6","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.1038","0.0562","","","0.1354","0.1665","","","","","","1.095","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510113","11.2644","0.0019","11.2611","0.0019","21.64","0.004","90","","91.271","0.006","90","","2744.3","0.8","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C14 H15 N3 O4 -","- C14 H15 N3 O4 -","- C112 H120 N24 O32 -","8","2","","Mukherjee, Arijit; Desiraju, Gautam R.","Combinatorial Exploration of the Structural Landscape of Acid‒Pyridine Cocrystals","Crystal Growth & Design","2014","14","3","1375","","10.1021/cg401851z","","","0.71073","MoKα","","0.0642","0.0508","","","0.1058","0.1115","","","","","","1.071","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510114","14.895","0.005","9.852","0.002","5.353","0.002","90","","90","","90","","785.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N3 O3 -","- C6 H13 N3 O3 -","- C24 H52 N12 O12 -","4","1","","Allouchi, Hassan; Nicolaï, Béatrice; Barrio, Maria; Céolin, René; Mahé, Nathalie; Tamarit, Josep-Lluís; Do, Bernard; Rietveld, Ivo B.","On the Polymorphism ofl-Citrulline: Crystal Structure and Characterization of the Orthorhombic δ Form","Crystal Growth & Design","2014","14","3","1279","","10.1021/cg401801u","","","1.5418","CuKα","","0.0661","0.0469","","","0.1144","0.1333","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510115","8.6615","0.0013","9.2005","0.0014","11.4927","0.0017","95.719","0.002","107.982","0.002","101.265","0.002","841.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I N2 O2 S -","- C15 H19 I N2 O2 S -","- C30 H38 I2 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0302","0.0271","","","0.0628","0.0651","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510116","8.5794","0.0007","11.5623","0.001","12.2139","0.001","113.886","0.0012","107.764","0.0012","90.7049","0.0014","1042.09","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H19 I3 N2 O2 S -","- C15 H19 I3 N2 O2 S -","- C30 H38 I6 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0393","0.0335","","","0.0713","0.0765","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510117","8.8726","0.0008","10.5812","0.0009","11.2061","0.001","94.041","0.001","104.4","0.001","90.717","0.001","1015.98","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H22 I2 N2 O2 S -","- C18 H22 I2 N2 O2 S -","- C36 H44 I4 N4 O4 S2 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0314","0.0254","","","0.0542","0.0573","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510118","25.3481","0.0018","5.9873","0.0004","28.34","0.002","90","","105.553","0.001","90","","4143.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 I5 N4 O4 S2 -","- C33 H40 I5 N4 O4 S2 -","- C132 H160 I20 N16 O16 S8 -","4","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0651","0.0432","","","0.0896","0.1012","","","","","","1.019","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510119","26.487","0.003","5.8297","0.0007","25.371","0.003","90","","101.571","0.003","90","","3838","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C120 H148 I20 N16 O16 S8 -","4","0.5","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.1155","0.0496","","","0.0835","0.1052","","","","","","0.994","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510120","16.9768","0.0014","6.0927","0.0005","25.167","0.0015","90","","132.421","0.003","90","","1921.7","0.3","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C30 H37 I5 N4 O4 S2 -","- C30 H37 I5 N4 O4 S2 -","- C60 H74 I10 N8 O8 S4 -","2","1","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0895","0.0578","","","0.0769","0.0874","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510121","14.7755","0.0019","5.8535","0.0007","26.013","0.003","90","","110.101","0.006","90","","2112.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 I7 N4 O4 S2 -","- C30 H37 I7 N4 O4 S2 -","- C60 H74 I14 N8 O8 S4 -","2","0.5","","Pan, Fangfang; Englert, Ulli","N-(6-Methyl-2-pyridyl)mesitylenesulfonamide: An Efficient Template for Polyiodides","Crystal Growth & Design","2014","14","3","1057","","10.1021/cg4015477","","","0.71073","MoKα","","0.0457","0.036","","","0.074","0.0779","","","","","","1.129","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510122","9.536","0.002","28.337","0.007","13.672","0.004","90","","93.694","0.005","90","","3686.8","1.6","273","2","273","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H32 N6 O22 P5 U2 Zn -","- C20 H26 N6 O22 P5 U2 Zn -","- C80 H104 N24 O88 P20 U8 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.114","0.063","","","0.1247","0.144","","","","","","1.021","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510123","10.7002","0.0005","18.6131","0.0009","9.4676","0.0005","90","","98.226","0.001","90","","1866.2","0.16","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O9 P2 U Zn -","- C13 H14 N2 O9 P2 U Zn -","- C52 H56 N8 O36 P8 U4 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0417","0.0319","","","0.0648","0.0681","","","","","","1.031","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510124","8.635","0.002","10.233","0.002","20.868","0.005","90","","100.692","0.003","90","","1811.9","0.7","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O8 P2 U Zn -","- C13 H14 N2 O8 P2 U Zn -","- C52 H56 N8 O32 P8 U4 Zn4 -","4","1","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0337","0.0254","","","0.0564","0.0595","","","","","","1.025","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510125","12.2596","0.0009","12.603","0.001","13.043","0.001","99.225","0.001","105.58","0.001","105.042","0.001","1816.5","0.2","139","2","139","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H66 N8 O28 P6 U3 Zn2 -","- C60 H58 N8 O28 P6 U3 Zn2 -","- C60 H58 N8 O28 P6 U3 Zn2 -","1","0.5","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.059","0.0396","","","0.0767","0.0853","","","","","","1.032","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510126","9.5793","0.0005","11.5325","0.0006","14.0533","0.0008","84.971","0.001","72.14","0.001","78.808","0.001","1448.94","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H54 N4 O30 P8 U3 Zn2 -","- C36 H54 N4 O30 P8 U3 Zn2 -","- C36 H54 N4 O30 P8 U3 Zn2 -","1","0.5","","Yang, Weiting; Yi, Fei-Yan; Tian, Tao; Tian, Wan-Guo; Sun, Zhong-Ming","Structural Variation within Heterometallic Uranyl Hybrids Based on Flexible Alkyldiphosphonate Ligands","Crystal Growth & Design","2014","14","3","1366","","10.1021/cg401850v","","","0.71073","MoKα","","0.0451","0.0343","","","0.0692","0.0771","","","","","","1.007","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510127","22.389","0.003","8.2386","0.0011","16.762","0.014","90","","90","","90","","3092","3","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H21 N4 O2 -","- C14 H21 N4 O2 -","- C112 H168 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.1231","0.0678","","","0.1808","0.2178","","","","","","1.057","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510128","7.5238","0.0009","16.626","0.002","26.574","0.003","90","","90","","90","","3324.2","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N4 O2 -","- C15 H23 N4 O2 -","- C120 H184 N32 O16 -","8","1","","Han, Lu-Lu; Li, Zhong-Hui; Chen, Jiang-Shan; Wang, Xing-Po; Sun, Di","Solution and Mechanochemical Syntheses of Two Novel Cocrystals: Ligand Length Modulated Interpenetration of Hydrogen-Bonded 2D 63-hcb Networks Based on a Robust Trimeric Heterosynthon","Crystal Growth & Design","2014","14","3","1221","","10.1021/cg4017454","","","0.71073","MoKα","","0.121","0.0656","","","0.1553","0.183","","","","","","1.037","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510129","8.821","0.005","18.955","0.009","9.288","0.005","90","","109.557","0.008","90","","1463.4","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Eu O10 -","- C12 H8 Eu O10 -","- C48 H32 Eu4 O40 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0489","0.0394","","","0.0888","0.0948","","","","","","1.057","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510130","8.728","0.005","18.911","0.01","9.289","0.006","90","","109.307","0.009","90","","1447","1.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 O10 Tb -","- C12 H8 O10 Tb -","- C48 H32 O40 Tb4 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0479","0.0428","","","0.1099","0.1152","","","","","","1.064","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510131","8.783","0.005","18.952","0.009","9.285","0.005","90","","109.398","0.009","90","","1457.8","1.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Gd O10 -","- C12 H8 Gd O10 -","- C48 H32 Gd4 O40 -","4","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","0.71073","MoKα","","0.0469","0.0392","","","0.0935","0.1005","","","","","","1.06","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510132","11.0981","0.0004","12.3","0.0005","13.324","0.0006","77.141","0.004","77.071","0.003","79.576","0.003","1711.71","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Eu N0 O16 -","- C24 H10 Eu O16 -","- C48 H20 Eu2 O32 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.0453","0.0441","","","0.1148","0.1159","","","","","","1.076","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510133","11.1102","0.0003","12.2579","0.0004","13.287","0.0005","77.034","0.003","76.785","0.003","79.413","0.003","1699.88","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N0 O16 Tb -","- C24 H8 O16 Tb -","- C48 H16 O32 Tb2 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.039","0.0374","","","0.1025","0.104","","","","","","1.092","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510134","11.109","0.0004","12.2814","0.0005","13.3034","0.0005","77.155","0.004","77.056","0.003","79.616","0.003","1708.32","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Gd N0 O16 -","- C24 H10 Gd O16 -","- C48 H20 Gd2 O32 -","2","1","","Gai, Yanli; Jiang, Feilong; Chen, Lian; Wu, Mingyan; Su, Kongzhao; Pan, Jie; Wan, Xiuyan; Hong, Maochun","Europium and Terbium Coordination Polymers Assembled from Hexacarboxylate Ligands: Structures and Luminescent Properties","Crystal Growth & Design","2014","14","3","1010","","10.1021/cg401452p","","","1.5418","CuKα","","0.0431","0.0422","","","0.1127","0.1138","","","","","","1.073","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510135","4.986","0.0002","14.6944","0.0007","16.868","0.0008","90","","96.905","0.001","90","","1226.89","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N4 O6 -","- C28 H24 N4 O6 -","- C56 H48 N8 O12 -","2","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0488","0.0418","","","0.1047","0.1102","","","","","","1.035","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510136","4.5301","0.001","11.579","0.003","12.321","0.003","111.787","0.003","99.823","0.003","97.184","0.003","578.7","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H24 N4 O5 -","- C29 H20 N4 O5 -","- C29 H20 N4 O5 -","1","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.7749","synchrotron","","0.1339","0.0989","","","0.267","0.2975","","","","","","1.088","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510137","8.9148","0.0005","9.4752","0.0005","9.8948","0.0005","110.584","0.001","108.502","0.001","104.815","0.001","675.53","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O8 -","- C28 H28 N4 O8 -","- C28 H28 N4 O8 -","1","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0737","0.0406","","","0.0803","0.092","","","","","","0.893","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510138","4.895","0.003","14.586","0.008","16.285","0.009","90","","104.125","0.011","90","","1127.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 O4 -","- C28 H20 N4 O4 -","- C56 H40 N8 O8 -","2","0.5","","Xu, Weiwei L.; Smith, Mark D.; Krause, Jeanette A.; Greytak, Andrew B.; Ma, Shuguo; Read, Cory M.; Shimizu, Linda S.","Single Crystal to Single Crystal Polymerization of a Self-Assembled Diacetylene Macrocycle Affords Columnar Polydiacetylenes","Crystal Growth & Design","2014","14","3","993","","10.1021/cg401380a","","","0.71073","MoKα","","0.0831","0.0599","","","0.1354","0.146","","","","","","1.072","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510139","11.7527","0.0002","11.8972","0.0002","13.3762","0.0002","90","","90","","90","","1870.32","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 Cu4 I4 S2 -","- C8 H16 Cu4 I4 S2 -","- C32 H64 Cu16 I16 S8 -","4","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0462","0.0458","","","0.1166","0.1169","","","","","","1.08","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510140","9.5915","0.0002","10.8378","0.0003","15.7597","0.0004","73.217","0.001","72.4319","0.0012","69.2273","0.0011","1429.64","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Cu4 I4 S4 -","- C16 H32 Cu4 I4 S4 -","- C32 H64 Cu8 I8 S8 -","2","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0517","0.0501","","","0.1613","0.1621","","","","","","1.163","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510141","22.7901","0.0007","13.2617","0.0004","16.0147","0.0005","90","","90.1331","0.0011","90","","4840.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H27 Cu3 I3 N S3 -","- C14 H27 Cu3 I3 N S3 -","- C112 H216 Cu24 I24 N8 S24 -","8","1","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0312","0.0304","","","0.078","0.0785","","","","","","1.175","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510142","9.5824","0.0002","34.9161","0.0006","17.9841","0.0003","90","","91.281","0.001","90","","6015.62","0.19","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 Cu4 I4 S4 -","- C16 H32 Cu4 I4 S4 -","- C128 H256 Cu32 I32 S32 -","8","2","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0529","0.0476","","","0.1142","0.1182","","","","","","1.064","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510143","11.9107","0.0004","12.2273","0.0004","21.0371","0.0006","90","","97.434","0.002","90","","3038","0.17","123","2","123","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H59 Cu10 I10 N S7 -","- C30 H59 Cu10 I10 N S7 -","- C60 H118 Cu20 I20 N2 S14 -","2","0.5","","Henline, Kylie M.; Wang, Charles; Pike, Robert D.; Ahern, John C.; Sousa, Bryer; Patterson, Howard H.; Kerr, Andrew T.; Cahill, Christopher L.","Structure, Dynamics, and Photophysics in the Copper(I) Iodide‒Tetrahydrothiophene System","Crystal Growth & Design","2014","14","3","1449","","10.1021/cg500005p","","","1.54178","CuKα","","0.0686","0.0545","","","0.1428","0.1531","","","","","","1.14","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510144","8.8461","0.0013","10.328","0.0015","15.349","0.002","107.093","0.003","103.143","0.003","94.373","0.003","1289.8","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C62 H36 F6 Fe2 N12 S2 -","- C62 H36 F6 Fe2 N12 S2 -","- C62 H36 F6 Fe2 N12 S2 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1244","0.0766","","","0.2108","0.2385","","","","","","1.038","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510145","8.9102","0.0011","19.302","0.002","15.1245","0.0018","90","","94.102","0.002","90","","2594.5","0.5","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H36 F6 Fe2 N12 -","- C62 H36 F6 Fe2 N12 -","- C124 H72 F12 Fe4 N24 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1339","0.0526","","","0.0885","0.1084","","","","","","1.02","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510146","8.618","0.003","10.569","0.005","11.615","0.005","102.884","0.006","90.817","0.006","94.545","0.006","1027.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 F8 Fe2 N8 -","- C50 H30 F8 Fe2 N8 -","- C50 H30 F8 Fe2 N8 -","1","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71069","MoKα","","0.0427","0.0415","","","0.1135","0.1147","","","","","","1.024","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510147","23.7236","0.0009","13.0622","0.0005","29.5079","0.0012","90","","90","","90","","9144","0.6","298","","298","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C52 H34 F8 Fe2 N8 -","- C52 H34 F8 Fe2 N8 -","- C416 H272 F64 Fe16 N64 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0888","0.0498","","","0.1124","0.1306","","","","","","1.012","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510148","11.373","0.002","12.066","0.002","15.327","0.003","79.997","0.004","72.885","0.004","73.854","0.004","1921.2","0.6","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H30 F6 Fe2 N6 S2 -","- C44 H30 F6 Fe2 N6 S2 -","- C88 H60 F12 Fe4 N12 S4 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1017","0.0597","","","0.1504","0.1702","","","","","","1.035","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510149","20.898","0.004","12.177","0.002","15.722","0.003","90","","114.889","0.003","90","","3629.3","1.2","298","","298","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C40 H34 F4 Fe2 N4 -","- C40 H34 F4 Fe2 N4 -","- C160 H136 F16 Fe8 N16 -","4","0.5","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.12","0.0852","","","0.2637","0.2949","","","","","","1.078","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510150","12.0515","0.0007","12.685","0.0008","14.0055","0.0008","99.383","0.001","112.387","0.001","102.404","0.001","1861.07","0.19","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 F2 Fe2 N4 -","- C42 H40 F2 Fe2 N4 -","- C84 H80 F4 Fe4 N8 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0533","0.0446","","","0.1344","0.1438","","","","","","1.023","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510151","12.2511","0.0017","12.3531","0.0018","15.823","0.002","67.104","0.003","69.177","0.003","61.263","0.003","1891.8","0.5","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H38 F4 Fe2 N4 -","- C42 H38 F4 Fe2 N4 -","- C84 H76 F8 Fe4 N8 -","2","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.1181","0.0576","","","0.1221","0.147","","","","","","0.951","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510152","29.4296","0.0019","12.2475","0.0007","21.0413","0.0011","90","","103.236","0.002","90","","7382.6","0.7","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H36 F4 Fe2 N4 -","- C41 H35.99 F4 Fe2 N4 -","- C328 H287.92 F32 Fe16 N32 -","8","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0984","0.0557","","","0.1608","0.1885","","","","","","1.046","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510153","8.226","0.003","21.294","0.007","20.955","0.006","90","","95.088","0.006","90","","3656","2","298","","298","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Fe2 N4 Ni S4 -","- C36 H34 Fe2 N4 Ni S4 -","- C144 H136 Fe8 N16 Ni4 S16 -","4","1","","Mochida, Tomoyuki; Funasako, Yusuke; Nagabuchi, Eri; Mori, Hatsumi","Charge-Transfer Salts of Biferrocene Derivatives with F2- and F4-Tetracyanoquinodimethane: Correlation Between Donor‒Acceptor Ratios and Cation Valence States","Crystal Growth & Design","2014","14","3","1459","","10.1021/cg500006e","","","0.71073","MoKα","","0.0629","0.0522","","","0.1363","0.1476","","","","","","1.042","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510154","18.4129","0.0009","18.4129","0.0009","12.3856","0.0007","90","","90","","120","","3636.6","0.3","210","2","210","2","","","","","","","","5","P 65","P 65","170","","","","- C4 H10 N2 O20 U3 -","- C4 H10 N2 O20 U3 -","- C24 H60 N12 O120 U18 -","6","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0319","0.0269","","","0.0617","0.0637","","","","","","1.11","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510155","15.1783","0.0012","13.5727","0.001","21.9418","0.0013","90","","114.569","0.004","90","","4111","0.5","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 N5 O39 U5 -","- C8 H20 N5 O39 U5 -","- C32 H80 N20 O156 U20 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0366","0.0246","","","0.0538","0.0583","","","","","","1.05","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510156","10.761","0.004","12.478","0.004","15.846","0.005","90","","90","","90","","2127.7","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H14 N3 O20 U3 -","- C6 H14 N3 O20 U3 -","- C24 H56 N12 O80 U12 -","4","1","","de Groot, Joshua; Gojdas, Kyle; Unruh, Daniel K.; Forbes, Tori Z.","Use of Charge-Assisted Hydrogen Bonding in the Supramolecular Assembly of Hybrid Uranyl Materials","Crystal Growth & Design","2014","14","3","1357","","10.1021/cg401849r","","","0.71073","MoKα","","0.0283","0.0234","","","0.0418","0.0433","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510157","10.3413","0.0013","11.9522","0.0016","13.6997","0.0017","104.168","0.002","96.189","0.002","95.169","0.002","1620.3","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H64 As6 Cu3 Mo6 N16 O42 -","- C24 H58 As6 Cu3 Mo6 N16 O42 -","- C24 H58 As6 Cu3 Mo6 N16 O42 -","1","0.5","","Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan","Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes","Crystal Growth & Design","2014","14","3","1467","","10.1021/cg500019g","","","0.71073","MoKα","","0.0678","0.0576","","","0.1554","0.1596","","","","","","1.089","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510158","10.9476","0.0009","11.3888","0.0009","16.2334","0.0013","89.329","0.001","78.608","0.001","82.383","0.001","1966.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H100 Cu3 Mo6 N24 O44 Te -","- C36 H84 Cu3 Mo6 N24 O44 Te -","- C36 H84 Cu3 Mo6 N24 O44 Te -","1","0.5","","Zhao, Jun-Wei; Zhang, Jing-Li; Li, Yan-Zhou; Cao, Jing; Chen, Li-Juan","Novel One-Dimensional Organic‒Inorganic Polyoxometalate Hybrids Constructed from Heteropolymolybdate Units and Copper‒Aminoacid Complexes","Crystal Growth & Design","2014","14","3","1467","","10.1021/cg500019g","","","0.71073","MoKα","","0.0472","0.0377","","","0.0931","0.0979","","","","","","1.028","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510159","6.329","0.005","17.445","0.015","21.917","0.018","90","","90","","90","","2420","3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O5 -","- C24 H30 N2 O5 -","- C96 H120 N8 O20 -","4","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.179","0.0814","","","0.1844","0.2291","","","","","","1.007","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510160","21.195","0.004","23.059","0.005","5.1058","0.0011","90","","90","","90","","2495.4","0.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C48 H62 N4 O15 -","- C48 H62 N4 O15 -","- C96 H124 N8 O30 -","2","0.5","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1239","0.064","","","0.1112","0.1482","","","","","","1.091","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510161","5.071","0.001","13.93","0.01","16.36","0.01","90","","90.01","0.02","90","","1155.7","1.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O6 -","- C24 H30 N2 O6 -","- C48 H60 N4 O12 -","2","1","","Bera, Santu; Jana, Poulami; Maity, Suman K.; Haldar, Debasish","Inhibition of Fibril Formation by Tyrosine Modification of Diphenylalanine: Crystallographic Insights","Crystal Growth & Design","2014","14","3","1032","","10.1021/cg4015042","","","0.71073","MoKα","","0.1486","0.068","","","0.1394","0.1939","","","","","","0.959","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510162","12.898","0.0006","5.6734","0.0003","22.5802","0.0012","90","","104","0.001","90","","1603.24","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Stokes, Stephen P.; Seaton, Colin C.; Eccles, Kevin S.; Maguire, Anita R.; Lawrence, Simon E.","Insight into the Mechanism of Formation of Channel Hydrates via Templating","Crystal Growth & Design","2014","14","3","1158","","10.1021/cg401660h","","","0.71073","MoKα","","0.0848","0.0419","","","0.1021","0.1142","","","","","","0.882","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510163","8.7604","0.001","10.0725","0.0012","25.881","0.003","96.591","0.003","92.22","0.003","90.392","0.003","2266.8","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H12 O4 S10 -","- C16 H12 O4 S10 -","- C64 H48 O16 S40 -","4","2","","Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira","Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors","Crystal Growth & Design","2014","14","3","1412","","10.1021/cg401883g","","","0.710747","MoKα","","0.0951","0.055","","","0.1027","0.1193","","","","","","0.844","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510164","8.1166","0.0015","9.2828","0.0017","14.75","0.003","76.56","0.006","84.187","0.008","85.037","0.008","1073.1","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H10 O4 S10 -","- C16 H10 O4 S10 -","- C32 H20 O8 S20 -","2","1","","Terauchi, Takeshi; Sumi, Satoshi; Kobayashi, Yuka; Matsushita, Yoshitaka; Sato, Akira","Two-Dimensional Brickblock Arrangement in Bis-Fused Tetrathiafulvalene Semiconductors","Crystal Growth & Design","2014","14","3","1412","","10.1021/cg401883g","","","0.710747","MoKα","","0.0858","0.0432","","","0.0843","0.0984","","","","","","0.956","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510165","22.3221","0.0004","22.749","0.0004","22.8496","0.0004","79.364","0.001","73.353","0.001","73.142","0.001","10573.7","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C96 H88 B18 Co O8 P3 -","- C96 H88 B18 Co O8 P3 -","- C384 H352 B72 Co4 O32 P12 -","4","2","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.1135","0.0793","","","0.2234","0.2469","","","","","","1.012","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510166","36.549","0.003","38.148","0.003","55.536","0.004","90","","90","","90","","77432","10","100","2","99.99","","","","","","","","","6","I m m m","-I 2 2","71","","","","- C72 H78 B54 Co3 Cu6 O30 -","- C72 H78 B54 Co3 Cu6 O30 -","- C576 H624 B432 Co24 Cu48 O240 -","8","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.1358","0.0939","","","0.2551","0.272","","","","","","0.979","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510167","18.248","0.002","18.248","0.002","47.113","0.007","90","","90","","120","","13586","3","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C24 H26 B18 Co Cu2 O10 -","- C24 H26 B18 Co Cu2 O10 -","- C144 H156 B108 Co6 Cu12 O60 -","6","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.2107","0.1544","","","0.4582","0.4944","","","","","","1.778","","","","has coordinates,has disorder","179648","2020-10-21","18:00:00",""
"4510168","10.7991","0.0005","13.1642","0.0006","21.7471","0.0009","82.24","0.002","76.013","0.002","76.535","0.002","2907.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H134 B36 Co2 Cs2 O29 -","- C84 H134 B36 Co2 Cs2 O29 -","- C84 H134 B36 Co2 Cs2 O29 -","1","0.5","","Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.","Metallacarborane-Based Metal‒Organic Framework with a Complex Topology","Crystal Growth & Design","2014","14","3","1324","","10.1021/cg401817g","","","1.54178","CuKα","","0.0511","0.0454","","","0.117","0.1241","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510169","15.5106","0.001","6.2871","0.0004","14.1238","0.001","90","","106.086","0.003","90","","1323.38","0.15","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","214544 (3709-57-04)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C60 H56 N8 O16 -","4","1","","Bevill, Melanie J.; Vlahova, Petinka I.; Smit, Jared P.","Polymorphic Cocrystals of Nutraceutical Compoundp-Coumaric Acid with Nicotinamide: Characterization, Relative Solid-State Stability, and Conversion to Alternate Stoichiometries","Crystal Growth & Design","2014","14","3","1438","","10.1021/cg4019037","","","0.71073","MoKα","","0.0603","0.0461","","","0.1292","0.1408","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510170","40.076","0.002","7.1979","0.0004","22.2876","0.0012","90","","122.479","0.002","90","","5423.6","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","212394 (3709-54-05)","","- C15 H14 N2 O4 -","- C15 H14 N2 O4 -","- C240 H224 N32 O64 -","16","2","","Bevill, Melanie J.; Vlahova, Petinka I.; Smit, Jared P.","Polymorphic Cocrystals of Nutraceutical Compoundp-Coumaric Acid with Nicotinamide: Characterization, Relative Solid-State Stability, and Conversion to Alternate Stoichiometries","Crystal Growth & Design","2014","14","3","1438","","10.1021/cg4019037","","","0.71073","MoKα","","0.0887","0.0537","","","0.1346","0.1492","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510171","14.9929","0.0011","8.4425","0.0006","19.9004","0.0013","90","","109.337","0.001","90","","2376.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd2 N2 O9 -","- C26 H16 Cd2 N2 O9 -","- C104 H64 Cd8 N8 O36 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0274","0.0237","","","0.0545","0.0562","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510172","7.6105","0.0006","16.907","0.0012","18.8834","0.0014","90","","90","","90","","2429.7","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H9 Cd N O5 -","- C13 H7 Cd N O5 -","- C104 H56 Cd8 N8 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0238","","","0.0526","0.0542","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510173","14.4791","0.0009","12.5483","0.0009","15.9612","0.0011","90","","93.14","0.001","90","","2895.6","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd2 N2 O15 -","- C26 H14 Cd2 N2 O15 -","- C104 H56 Cd8 N8 O60 -","4","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0265","0.0244","","","0.0699","0.0713","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510174","14.2014","0.0019","31.085","0.003","12.2254","0.0013","90","","120.053","0.002","90","","4671.4","0.9","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H13 Cd N2 O5 -","- C18 H13 Cd N2 O5 -","- C144 H104 Cd8 N16 O40 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0596","0.0402","","","0.0853","0.0897","","","","","","1.015","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510175","16.6363","0.0013","11.7664","0.0009","11.7332","0.0009","90","","96.052","0.001","90","","2284","0.3","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H22 Cd2 N4 O11 -","- C36 H22 Cd2 N4 O11 -","- C72 H44 Cd4 N8 O22 -","2","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0293","0.0277","","","0.0699","0.0708","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510176","8.7982","0.0016","11.695","0.002","18.886","0.003","103.833","0.003","93.527","0.003","105.995","0.003","1796.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 Cd2 N4 O8 -","- C36 H22 Cd2 N4 O8 -","- C72 H44 Cd4 N8 O16 -","2","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0789","0.0665","","","0.2184","0.2463","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510177","16.2673","0.0017","7.28","0.0007","16.2873","0.0016","90","","106.001","0.002","90","","1854.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cd N2 O6 -","- C19 H13 Cd N2 O6 -","- C76 H52 Cd4 N8 O24 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.041","0.0344","","","0.0749","0.0781","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510178","7.067","0.0006","9.5235","0.0009","10.4625","0.0009","111.73","0.001","101.486","0.001","96.874","0.001","626.38","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N Ni O6 -","- C13 H11 N Ni O6 -","- C26 H22 N2 Ni2 O12 -","2","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0334","0.0308","","","0.0786","0.0806","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510179","17.523","0.008","17.315","0.009","15.91","0.008","90","","108.41","0.009","90","","4580","4","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C38 H40 N4 Ni2 O16 -","- C38 H28 N4 Ni2 O14 -","- C152 H112 N16 Ni8 O56 -","4","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.1275","0.0785","","","0.247","0.3078","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510180","13.0656","0.001","20.0395","0.0015","25.521","0.002","90","","90","","90","","6682.1","0.9","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C38 H30 N4 Ni2 O11 -","- C38 H30 N4 Ni2 O11 -","- C304 H240 N32 Ni16 O88 -","8","0.5","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0567","0.0399","","","0.0757","0.0833","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510181","10.5388","0.0008","19.9776","0.0018","19.07","0.0014","90","","90","","90","","4015","0.6","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C19 H19 N2 Ni O7 -","- C19 H17 N2 Ni O7 -","- C152 H136 N16 Ni8 O56 -","8","1","","Liu, Bo; Wei, Lei; Li, Nan-nan; Wu, Wei-Ping; Miao, Hui; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent/Temperature and Dipyridyl Ligands Induced Diverse Coordination Polymers Based on 3-(2′,5′-Dicarboxylphenyl)pyridine","Crystal Growth & Design","2014","14","3","1110","","10.1021/cg401599x","","","0.71073","MoKα","","0.0587","0.0454","","","0.1131","0.1202","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510182","31.517","0.012","14.882","0.004","28.494","0.008","90","","120.19","0.02","90","","11552","7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 Gd2 N3 O23 -","- C75 H42 Gd2 N2 O22 -","- C300 H168 Gd8 N8 O88 -","4","0.5","","Biswas, Soumava; Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Two Lanthanide (Gd3+and Dy3+)-Based Three-Dimensional Metal Organic Frameworks with Squashed Metallomacrocycle Type Building Blocks and Their Magnetic, Sorption, and Fluorescence Properties Study","Crystal Growth & Design","2014","14","3","1287","","10.1021/cg401804e","","","0.71073","MoKα","","0.0649","0.0623","","","0.1532","0.1548","","","","","","1.171","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510183","31.28","0.03","14.735","0.013","28.51","0.05","90","","120.13","0.05","90","","11365","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H67 Dy2 N3 O23 -","- C75 H56 Dy2 N2 O22 -","- C300 H224 Dy8 N8 O88 -","4","0.5","","Biswas, Soumava; Jena, Himanshu Sekhar; Goswami, Soumyabrata; Sanda, Suresh; Konar, Sanjit","Synthesis and Characterization of Two Lanthanide (Gd3+and Dy3+)-Based Three-Dimensional Metal Organic Frameworks with Squashed Metallomacrocycle Type Building Blocks and Their Magnetic, Sorption, and Fluorescence Properties Study","Crystal Growth & Design","2014","14","3","1287","","10.1021/cg401804e","","","0.71073","MoKα","","0.1001","0.0737","","","0.2349","0.2498","","","","","","1.251","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510184","7.622","0.002","30.003","0.006","5.884","0.001","90","","90","","90","","1345.6","0.5","173","2","173","2","","","","","","","","4","P c c 2","P 2 -2c","27","03157","","","- C12 H6 Br2 S3 -","- C12 H6 Br2 S3 -","- C48 H24 Br8 S12 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0583","0.0527","","","0.1144","0.1169","","","","","","1.029","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510185","9.1417","0.0007","12.9641","0.001","10.8","0.0009","90","","92.378","0.002","90","","1278.85","0.18","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 Br N3 S2 -","- C13 H4 Br N3 S2 -","- C52 H16 Br4 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0329","0.0299","","","0.1153","0.1178","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510186","20.488","0.01","5.153","0.003","19.516","0.01","90","","91.815","0.008","90","","2059.4","1.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03128","","","- C11 H5 N3 O2 S -","- C11 H5 N3 O2 S -","- C88 H40 N24 O16 S8 -","8","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0559","0.0463","","","0.1163","0.1257","","","","","","1.025","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510187","25.335","0.004","5.0261","0.0008","15.713","0.002","90","","123.924","0.002","90","","1660.2","0.4","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","03133","","","- C6 H4 Br2 O2 S -","- C6 H4 Br2 O2 S -","- C48 H32 Br16 O16 S8 -","8","2","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0441","","","0.1009","0.1073","","","","","","1.024","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510188","7.8613","0.001","24.495","0.003","6.1207","0.0008","90","","90","","90","","1178.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H5 N3 S2 -","- C13 H5 N3 S2 -","- C52 H20 N12 S8 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0348","0.0303","","","0.0676","0.0691","","","","","","1.062","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510189","13.677","0.002","5.3859","0.0008","16.245","0.003","90","","93.971","0.003","90","","1193.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","03174","","","- C11 H4 Br N3 O2 S -","- C11 H4 Br N3 O2 S -","- C44 H16 Br4 N12 O8 S4 -","4","1","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0519","0.0381","","","0.0932","0.0984","","","","","","1.027","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510190","19.311","0.003","5.173","0.0008","15.885","0.003","90","","120.464","0.002","90","","1367.8","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","03169","","","- C12 H8 Br2 O4 S2 -","- C12 H8 Br2 O4 S2 -","- C48 H32 Br8 O16 S8 -","4","0.5","","Pham, Phuong-Truc T.; Bader, Mamoun M.","Inter- and Intramolecular Interactions in Some Bromo- and Tricyanovinyl-Substituted Thiophenes and Ethylenedioxythiophenes","Crystal Growth & Design","2014","14","3","916","","10.1021/cg401513n","","","0.71073","MoKα","","0.0292","0.0242","","","0.0517","0.0533","","","","","","1.022","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510191","12.7139","0.0005","9.3505","0.0002","12.9473","0.0005","90","","90","","90","","1539.19","0.09","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C13 H13 N O7 U -","- C13 H13 N O7 U -","- C52 H52 N4 O28 U4 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0425","0.0327","","","0.0746","0.0781","","","","","","1.093","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510192","12.7337","0.0004","12.5615","0.0003","17.8737","0.0005","90","","90","","90","","2858.98","0.14","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C88 H88 N8 O56 S8 U8 -","8","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0313","0.0224","","","0.051","0.053","","","","","","1.054","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510193","9.7799","0.0002","11.3381","0.0004","12.6008","0.0005","90","","90","","90","","1397.25","0.08","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O7 S U -","- C11 H11 N O7 S U -","- C44 H44 N4 O28 S4 U4 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0229","0.0213","","","0.0482","0.0487","","","","","","1.015","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510194","13.6318","0.0006","20.8012","0.0005","17.6809","0.0007","90","","112.339","0.002","90","","4637.3","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H46 N3 O21.5 U3 -","- C39 H45 N3 O21.5 U3 -","- C156 H180 N12 O86 U12 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0638","0.0377","","","0.0832","0.091","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510195","11.175","0.0006","11.2003","0.0005","11.2336","0.0006","61.51","0.003","66.654","0.002","62.995","0.003","1071.65","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O9 U -","- C22 H20 N2 O9 U -","- C44 H40 N4 O18 U2 -","2","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.0315","0.0248","","","0.056","0.0575","","","","","","0.989","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510196","14.0316","0.0004","15.2564","0.0006","17.7817","0.0006","90","","102.405","0.002","90","","3717.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H39 N5 Ni O19 U2 -","- C27 H39 N5 Ni O19 U2 -","- C108 H156 N20 Ni4 O76 U8 -","4","1","","Thuéry, Pierre; Harrowfield, Jack","Uranyl‒Organic Frameworks with Polycarboxylates: Unusual Effects of a Coordinating Solvent","Crystal Growth & Design","2014","14","3","1314","","10.1021/cg4018163","","","0.71073","MoKα","","0.066","0.0392","","","0.0729","0.0784","","","","","","1.042","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510197","8.2609","0.0016","10.149","0.002","12.461","0.002","112.995","0.002","99.133","0.003","99.881","0.003","917.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C40 H28 N8 O8 Zn2 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1096","0.0518","","","0.087","0.108","","","","","","1.039","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510198","8.415","0.0011","10.1129","0.0011","14.677","0.002","74.174","0.001","80.742","0.001","78.673","0.001","1170.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N4 O6 Zn -","- C20 H18 N4 O6 Zn -","- C40 H36 N8 O12 Zn2 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0841","0.0534","","","0.1499","0.1738","","","","","","1.058","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510199","20.8725","0.0017","8.9411","0.0007","11.443","0.0009","90","","114.058","0.001","90","","1950","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N4 O6 -","- C20 H18 Co N4 O6 -","- C80 H72 Co4 N16 O24 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0274","0.0259","","","0.0721","0.0735","","","","","","1.021","","","","has coordinates","179648","2020-10-21","18:00:00",""
"4510200","10.627","0.002","6.2498","0.0013","17.169","0.003","90","","118.378","0.009","90","","1003.3","0.3","298","2","298","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C20 H16 N4 Ni O5 -","- C20 H16 N4 Ni O5 -","- C40 H32 N8 Ni2 O10 -","2","1","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.1097","0.0562","","","0.0791","0.0963","","","","","","0.971","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510201","16.2445","0.0011","16.4805","0.0011","25.7372","0.0017","90","","90","","90","","6890.3","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C67 H62 Co5 N6 O25 -","- C67 H62 Co5 N6 O25 -","- C268 H248 Co20 N24 O100 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0572","0.0449","","","0.129","0.1385","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510202","18.2139","0.0015","11.79","0.001","16.5932","0.0013","90","","111.32","0.001","90","","3319.4","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 N4 O9 Zn2 -","- C36 H24 N4 O9 Zn2 -","- C144 H96 N16 O36 Zn8 -","4","0.5","","Zhou, Jie; Du, Lin; Qiao, Yong-Feng; Hu, Yan; Li, Bin; Li, Lin; Wang, Xiao-Yuan; Yang, Jing; Xie, Ming-Jin; Zhao, Qi-Hua","Intriguing Architectures Generated from 1,4-Bis(3- or 4-pyridyl)-2,3-diaza-1,3-butadiene with Aromatic Dicarboxylates: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2014","14","3","1175","","10.1021/cg401692e","","","0.71073","MoKα","","0.0359","0.0278","","","0.0687","0.0737","","","","","","1.035","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510203","4.9004","0.001","14.202","0.003","14.325","0.003","118.43","0.03","93.44","0.03","97.06","0.03","862","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzimidazole salt of sebacic acid","","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C34 H48 N4 O8 -","2","1","","Rachocki, Adam; Pogorzelec-Glaser, Katarzyna; Ławniczak, Paweł; Pugaczowa-Michalska, Maria; Łapiński, Andrzej; Hilczer, Bożena; Matczak, Michał; Pietraszko, Adam","Proton Conducting Compound of Benzimidazole with Sebacic Acid: Structure, Molecular Dynamics, and Proton Conductivity","Crystal Growth & Design","2014","14","3","1211","","10.1021/cg401742b","","","0.71073","MoKα","","0.1942","0.0525","","","0.1014","0.1369","","","","","","0.749","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510204","7.5051","0.0014","11.468","0.002","13.694","0.003","83.123","0.003","84.66","0.003","82.833","0.004","1157.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 N4 O9 S -","- C21 H18 N4 O9 S -","- C42 H36 N8 O18 S2 -","2","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1062","0.0657","","","0.1183","0.1328","","","","","","1.037","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510205","16.77","0.005","5.0216","0.0015","23.582","0.008","90","","128.077","0.006","90","","1563.3","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N3 O7 S -","- C14 H12 N3 O7 S -","- C56 H48 N12 O28 S4 -","4","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1079","0.0743","","","0.1494","0.1658","","","","","","1.085","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510206","12.37","0.004","5.0586","0.0015","31.715","0.009","90","","94.495","0.006","90","","1978.5","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N3 O9 S -","- C17 H17 N3 O9 S -","- C68 H68 N12 O36 S4 -","4","1","","Félix-Sonda, Brenda C.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Morales-Rojas, Hugo; Höpfl, Herbert","Nitazoxanide Cocrystals in Combination with Succinic, Glutaric, and 2,5-Dihydroxybenzoic Acid","Crystal Growth & Design","2014","14","3","1086","","10.1021/cg4015916","","","0.71073","MoKα","","0.1026","0.0699","","","0.1459","0.1637","","","","","","1.018","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510207","5.7193","0.0001","9.5627","0.0002","20.9579","0.0005","90","","90","","90","","1146.23","0.04","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 Se -","- C12 H13 N3 Se -","- C48 H52 N12 Se4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0266","0.0242","","","0.0309","0.0313","","","","1.66","1.66","1.62","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510208","7.1809","0.0003","10.2986","0.0005","15.768","0.0008","90","","90","","90","","1166.09","0.1","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C48 H52 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0348","0.0268","","","0.0285","0.029","","","","1.62","1.62","1.53","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510209","7.9302","0.0011","17.223","0.002","10.8814","0.0014","90","","94.771","0.007","90","","1481.1","0.3","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 S -","- C15 H19 N3 S -","- C60 H76 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.1072","0.0445","","","0.0446","0.0489","","","","1.68","1.68","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510210","5.9338","0.0002","7.3798","0.0002","13.2891","0.0004","99.4247","0.0011","93.1907","0.0012","92.2136","0.0012","572.51","0.03","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H13 N3 S -","- C12 H13 N3 S -","- C24 H26 N6 S2 -","2","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0433","0.0329","","","0.0424","0.0434","","","","2.16","2.16","1.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510211","12.7982","0.0008","13.6159","0.0008","7.131","0.0004","90","","90","","90","","1242.64","0.13","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0334","0.0288","","","0.0367","0.037","","","","2","2","1.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510212","4.7643","0.0015","15.968","0.006","16.294","0.006","90","","90","","90","","1239.6","0.8","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0371","0.0287","","","0.0602","0.0622","","","","1.63","1.63","1.57","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510213","10.0699","0.0006","10.4586","0.0006","12.3674","0.0007","90","","98.777","0.002","90","","1287.25","0.13","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.051","0.0376","","","0.0468","0.0479","","","","2.54","2.54","2.3","","","","has coordinates","288070","2023-12-06","12:55:27",""
"4510214","5.7944","0.0006","23.318","0.002","9.1374","0.0009","90","","97.601","0.004","90","","1223.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N3 O2 S -","- C12 H13 N3 O2 S -","- C48 H52 N12 O8 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","","0.71073","MoKα","","0.0484","0.0409","","","0.055","0.0559","","","","3.03","3.03","2.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510215","17.6465","0.0009","5.0684","0.0003","14.7768","0.0008","90","","112.225","0.002","90","","1223.44","0.12","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C52 H60 N12 S4 -","4","1","","Lumpi, Daniel; Glöcklhofer, Florian; Holzer, Brigitte; Stöger, Berthold; Hametner, Christian; Reider, Georg A.; Fröhlich, Johannes","Systematic Investigations on 1,2,3-Triazole-Based Compounds Capable of Second Harmonic Generation","Crystal Growth & Design","2014","14","3","1018","","10.1021/cg4014762","","x-ray","0.71073","MoKα","","0.0239","0.0225","","","0.0302","0.0303","","","","1.74","1.74","1.71","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510216","27.934","0.002","27.934","0.002","41.081","0.004","90","","90","","90","","32056","5","100","2","100","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C35.08 H53.26 Cu3 N10 O27.55 S2.54 -","- C34.23 H12 Cu3 N10 O27.5071 S2.4835 -","- C547.68 H192 Cu48 N160 O440.114 S39.736 -","16","1","","Luebke, Ryan; Weseliński, Łukasz J.; Belmabkhout, Youssef; Chen, Zhijie; Wojtas, Łukasz; Eddaoudi, Mohamed","Microporous Heptazine Functionalized (3,24)-Connectedrht-Metal‒Organic Framework: Synthesis, Structure, and Gas Sorption Analysis","Crystal Growth & Design","2014","14","2","414","","10.1021/cg401802s","","","1.54178","CuKα","","0.0848","0.0772","","","0.2283","0.2405","","","","","","1.076","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510223","22.348","0.005","13.357","0.003","15.002","0.003","90","","97.35","0.03","90","","4441.3","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Eu2 N7 O18 -","- C30 H34 Eu2 N6 O18 -","- C120 H136 Eu8 N24 O72 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0673","0.0506","","","0.1402","0.1489","","","","","","1.066","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510224","22.214","0.004","13.407","0.003","14.781","0.003","90","","97.2","0.03","90","","4367.4","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 N7 O18 Tb2 -","- C30 H34 N6 O18 Tb2 -","- C120 H136 N24 O72 Tb8 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0465","0.0432","","","0.1245","0.1272","","","","","","1.096","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510225","22.228","0.004","13.257","0.003","14.639","0.003","90","","97.07","0.03","90","","4281","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H41 Er2 N7 O18 -","- C30 H34 Er2 N6 O18 -","- C120 H136 Er8 N24 O72 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0715","0.0482","","","0.1245","0.135","","","","","","0.984","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510226","27.918","0.006","9.2881","0.0019","21.422","0.004","90","","118.07","0.03","90","","4901","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H35.5 N6.5 O20 Yb2 -","- C30 H34 N6.5 O20 Yb2 -","- C120 H136 N26 O80 Yb8 -","4","0.5","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0497","0.0404","","","0.1085","0.1116","","","","","","1.098","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510227","14.558","0.003","18.271","0.004","21.899","0.004","90","","112.12","0.03","90","","5396","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46.5 H44.5 Eu2 N3.5 O22.5 -","- C39 H12 Eu2 N O18 -","- C156 H48 Eu8 N4 O72 -","4","1","","Zhang, Jian; Zheng, Bing; Zhao, Tingting; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Topological Diversities and Luminescent Properties of Lanthanide Metal‒Organic Frameworks Based on a Tetracarboxylate Ligand","Crystal Growth & Design","2014","14","5","2394","","10.1021/cg500114k","","","0.71073","MoKα","","0.0554","0.0496","","","0.1314","0.1337","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510228","8.1555","0.0005","9.7034","0.0006","18.2534","0.0012","92.894","0.005","99.124","0.005","91.71","0.005","1423.36","0.16","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C31 H42 N4 O -","- C31 H42 N4 O -","- C62 H84 N8 O2 -","2","1","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1352","0.0958","","","0.2769","0.3048","","","","","","1.259","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510229","14.947","0.0013","14.947","0.0013","3.8185","0.0003","90","","90","","120","","738.81","0.11","120","2","120.15","","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C14 H8 N2 O -","- C14 H8 N2 O -","- C42 H24 N6 O3 -","3","0.5","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1385","0.0967","","","0.196","0.2182","","","","","","1.071","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510230","8.143","0.0004","9.6781","0.0003","18.2591","0.0007","92.727","0.003","98.895","0.003","92.061","0.003","1418.69","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 F N3 O2 -","- C30 H42 F N2.98 O2 -","- C60 H84 F2 N5.96 O4 -","2","1","","Durga Prasad, Karothu; Venkataramaiah, N.; Guru Row, Tayur N.","1,9-Pyrazoloanthrone as a Colorimetric and “Turn-On” Fluorometric Chemosensor: Structural Implications","Crystal Growth & Design","2014","14","5","2118","","10.1021/cg5002489","","","0.71073","MoKα","","0.1872","0.1033","","","0.2371","0.2997","","","","","","1.045","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510231","20.383","0.004","22.674","0.005","23.215","0.005","90","","90","","90","","10729","4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C32 H30 Co3 N6 O15 -","- C26 H16 Co3 N4 O13 -","- C208 H128 Co24 N32 O104 -","8","1","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0937","0.0767","","","0.1943","0.2062","","","","","","1.069","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510232","15.3019","0.0004","15.3019","0.0004","23.1993","0.0009","90","","90","","90","","5432.1","0.3","296","2","296","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C29 H23 N5 O14 Zn3 -","- C26 H14 N4 O12 Zn3 -","- C104 H56 N16 O48 Zn12 -","4","0.5","","Wang, Jing; Luo, Jiahuan; Zhao, Jun; Li, Dong-Sheng; Li, Guanghua; Huo, Qisheng; Liu, Yunling","Assembly of Two Flexible Metal‒Organic Frameworks with Stepwise Gas Adsorption and Highly Selective CO2Adsorption","Crystal Growth & Design","2014","14","5","2375","","10.1021/cg500091k","","","0.71073","MoKα","","0.0793","0.0583","","","0.1579","0.1714","","","","","","1.051","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510233","9.2309","0.0008","9.2309","0.0008","9.5945","0.0014","90","","90","","90","","817.54","0.16","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0425","0.0376","","","0.0487","0.0494","","","","","","1.419","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510234","9.2288","0.0004","9.2288","0.0004","9.6054","0.0006","90","","90","","90","","818.1","0.07","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.0401","0.0315","","","0.0599","0.062","","","","","","1.211","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510235","9.2323","0.0006","9.2323","0.0006","9.6015","0.0011","90","","90","","90","","818.39","0.12","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- Cd I6 Tl4 -","- Cd I6 Tl4 -","- Cd2 I12 Tl8 -","2","0.125","","Wang, Shichao; Liu, Zhifu; Peters, John A.; Sebastian, Maria; Nguyen, Sandy L.; Malliakas, Christos D.; Stoumpos, Constantinos C.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of Tl4CdI6: A Wide Band Gap Semiconductor for Hard Radiation Detection","Crystal Growth & Design","2014","14","5","2401","","10.1021/cg5001446","","","0.71073","MoKα","","0.048","0.0394","","","0.066","0.0684","","","","","","1.176","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510236","24.603","0.0014","13.189","0.0005","20.222","0.0013","90","","124.366","0.009","90","","5416.4","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H68 Cd3 N4 O29 -","- C46 H42 Cd3 N4 O29 -","- C184 H168 Cd12 N16 O116 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71069","MoKα","","0.085","0.0495","","","0.1142","0.1319","","","","","","1.054","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510237","24.492","0.004","13.0355","0.0014","20.31","0.003","90","","124.676","0.004","90","","5332.6","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H70 Mn3 N4 O30 -","- C46 H66 Mn3 N4 O30 -","- C184 H264 Mn12 N16 O120 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1858","0.0788","","","0.1409","0.1702","","","","","","1.182","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510238","24.011","0.002","13.1094","0.0008","20.548","0.002","90","","124.399","0.015","90","","5336.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H66 N4 O28 Zn3 -","- C46 H62 N4 O28 Zn3 -","- C184 H248 N16 O112 Zn12 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1501","0.0805","","","0.1578","0.1898","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510239","23.792","0.002","13.0153","0.0005","20.729","0.002","90","","123.785","0.013","90","","5335","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H65.5 Co3 N4 O27.75 -","- C46 H58 Co3 N4 O27.76 -","- C184 H232 Co12 N16 O111.04 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.138","0.0892","","","0.1607","0.1843","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510240","24.104","0.002","13.054","0.0009","21.009","0.0016","90","","124.662","0.01","90","","5437.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H71 Fe3 N4 O30.5 -","- C46 H42 Fe3 N4 O30.5 -","- C184 H168 Fe12 N16 O122 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71069","MoKα","","0.1181","0.0707","","","0.1339","0.1555","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510241","10.975","0.0006","14.548","0.0007","16.063","0.0009","81.074","0.005","86.503","0.005","86.458","0.004","2525.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H160 Co3 N16 O21 -","- C94 H150 Co3 N16 O21 -","- C94 H150 Co3 N16 O21 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1113","0.0644","","","0.1482","0.1745","","","","","","1.019","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510242","13.617","0.0006","14.3185","0.0005","18.6289","0.0007","88.841","0.003","69.413","0.004","79.69","0.003","3341.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H189 N20 Ni4 O18.5 -","- C110 H136 N20 Ni4 O18.5 -","- C110 H136 N20 Ni4 O18.5 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.2197","0.1071","","","0.1925","0.2268","","","","","","1.202","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510243","11.1977","0.0007","11.2936","0.0007","14.7885","0.0009","70.036","0.006","88.302","0.005","79.258","0.005","1725.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H102 N8 Ni3 O28 -","- C62 H94 N8 Ni3 O28 -","- C62 H94 N8 Ni3 O28 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0697","0.0524","","","0.1398","0.153","","","","","","1.032","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510244","18.1","0.0005","23.3079","0.0007","29.0723","0.0011","90","","90","","90","","12264.8","0.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C110 H190 Cd4 N20 O19 -","- C110 H188 Cd4 N20 O19 -","- C440 H752 Cd16 N80 O76 -","4","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.0871","0.0426","","","0.0869","0.1029","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510245","9.1765","0.0003","13.6017","0.0005","17.2551","0.0007","77.337","0.003","86.838","0.003","81.439","0.003","2077.35","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H120 Cu2 N12 O18 -","- C78 H106 Cu2 N12 O18 -","- C78 H106 Cu2 N12 O18 -","1","0.5","","Zhang, Hong-Mei; He, Yuan-Chun; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang","Ten Coordination Polymers Constructed Using an Unprecedented Azamacrocyclic Octacarboxylate Ligand 1,4,8,11-Tetrazacyclododecane-N,N′,N″,N‴-Tetra-Methylene-Isophthalic Acid: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2014","14","5","2307","","10.1021/cg500003u","","","0.71073","MoKα","","0.1408","0.0895","","","0.1777","0.2053","","","","","","0.975","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510246","18.6903","0.0007","31.1946","0.001","6.8692","0.0003","90","","90.094","0.003","90","","4005","0.3","571","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O9.5 S2 Yb -","- C19 H14 N2 O9.5 S2 Yb -","- C152 H112 N16 O76 S16 Yb8 -","8","2","","D’Vries, Richard F.; Snejko, Natalia; Iglesias, Marta; Gutiérrez-Puebla, Enrique; Monge, M. Angeles","Ln-MOF Pseudo-Merohedral Twinned Crystalline Family as Solvent-Free Heterogeneous Catalysts","Crystal Growth & Design","2014","14","5","2516","","10.1021/cg5002336","","","1.54178","CuKα","","0.0554","0.0457","","","0.1078","0.1138","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510247","11.54269","0.00008","22.41402","0.00014","25.84917","0.00016","90","","102.449","0.0007","90","","6530.4","0.08","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H53 Cu2 Ge N8 O44.5 W12 -","- C32 H44 Cu2 Ge N8 O44.5 W12 -","- C128 H176 Cu8 Ge4 N32 O178 W48 -","4","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0564","0.0554","","","0.1447","0.1456","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510248","11.46769","0.00014","22.5699","0.0003","25.3959","0.0003","90","","102.372","0.0013","90","","6420.43","0.14","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu2 Ge N8 O40 W12 -","- C32 H44 Cu2 Ge N8 O40 W12 -","- C128 H176 Cu8 Ge4 N32 O160 W48 -","4","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","0.71073","MoKα","","0.0652","0.0444","","","0.0922","0.1065","","","","","","1.06","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510249","11.0268","0.0003","12.1249","0.0003","24.7245","0.0006","90","","96.305","0.002","90","","3285.64","0.15","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cu2 Ge N8 O45 W12 -","- C34 H48 Cu2 Ge N8 O45 W12 -","- C68 H96 Cu4 Ge2 N16 O90 W24 -","2","0.5","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","0.71073","MoKα","","0.0477","0.0426","","","0.0839","0.0859","","","","","","1.218","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510250","10.8619","0.0002","11.9467","0.0002","24.0621","0.0005","90","","97.9366","0.0018","90","","3092.48","0.1","423","2","423","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Cu2 Ge N8 O40 W12 -","- C34 H48 Cu2 Ge N8 O40 W12 -","- C68 H96 Cu4 Ge2 N16 O80 W24 -","2","0.5","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0595","0.0548","","","0.1291","0.1321","","","","","","1.174","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510251","12.7695","0.0002","13.0603","0.0003","21.2588","0.0005","79.433","0.002","78.0316","0.0018","76.0427","0.0018","3332.56","0.13","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C34 H66 Cu2 Ge N8 O49 W12 -","- C22.655 H30.786 Cu2 Ge N5.508 O40.377 W12 -","- C45.31 H61.572 Cu4 Ge2 N11.016 O80.754 W24 -","2","1","","Iturrospe, Amaia; San Felices, Leire; Reinoso, Santiago; Artetxe, Beñat; Lezama, Luis; Gutiérrez-Zorrilla, Juan M.","Reversible Dehydration in Polyoxometalate-Based Hybrid Compounds: A Study of Single-Crystal to Single-Crystal Transformations in Keggin-Type Germanotungstates Decorated with Copper(II) Complexes of Tetradentate N-Donor Ligands","Crystal Growth & Design","2014","14","5","2318","","10.1021/cg500027f","","x-ray","1.54184","CuKα","","0.0819","0.0704","","","0.1968","0.22","","","","","","1.025","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510254","7.427","0.007","10.722","0.01","12.41","0.012","69.156","0.01","77.224","0.011","85.238","0.01","900.7","1.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Hg Mn N4 S5 Sb2 -","- C6 H18 Hg Mn N4 S5 Sb2 -","- C12 H36 Hg2 Mn2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0648","0.0472","","","0.1182","0.1288","","","","","","1.001","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510255","7.3778","0.0004","10.5551","0.0006","12.3071","0.0007","69.629","0.001","77.739","0.001","85.723","0.001","877.96","0.09","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Co Hg N4 S5 Sb2 -","- C6 H18 Co Hg N4 S5 Sb2 -","- C12 H36 Co2 Hg2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0266","0.0243","","","0.0648","0.0658","","","","","","1.094","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510256","7.3752","0.0006","10.5561","0.0009","12.3004","0.001","69.677","0.001","77.707","0.001","85.802","0.001","877.42","0.13","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H18 Fe Hg N4 S5 Sb2 -","- C6 H18 Fe Hg N4 S5 Sb2 -","- C12 H36 Fe2 Hg2 N8 S10 Sb4 -","2","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0353","0.0293","","","0.073","0.0754","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510257","11.659","0.002","9.9546","0.0017","14.011","0.003","90","","109.313","0.002","90","","1534.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg3 N6 Ni S10 Sb4 -","- C8 H26 Hg3 N6 Ni S10 Sb4 -","- C16 H52 Hg6 N12 Ni2 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0268","0.0209","","","0.048","0.0709","","","","","","1.079","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510258","19.907","0.012","7.773","0.005","14.779","0.009","90","","106.6","0.006","90","","2192","2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C6 H24 Co Hg2 N6 S6 Sb2 -","- C6 H24 Co Hg2 N6 S6 Sb2 -","- C24 H96 Co4 Hg8 N24 S24 Sb8 -","4","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0338","0.0278","","","0.0702","0.0839","","","","","","1.098","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510259","11.7163","0.0011","9.9621","0.0009","14.0344","0.0013","90","","109.494","0.001","90","","1544.2","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co Hg3 N6 S10 Sb4 -","- C8 H26 Co Hg3 N6 S10 Sb4 -","- C16 H52 Co2 Hg6 N12 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.029","0.0233","","","0.0535","0.0724","","","","","","1.085","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510260","14.986","0.006","15.072","0.006","20.514","0.008","90","","104.094","0.005","90","","4494","3","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C18 H60 Cl Hg N12 Ni2 S7 Sb3 -","- C18 H60 Cl Hg N12 Ni2 S7 Sb3 -","- C72 H240 Cl4 Hg4 N48 Ni8 S28 Sb12 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.1176","0.0504","","","0.1034","0.1268","","","","","","1.008","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510261","11.4087","0.0012","13.2919","0.0014","18.9376","0.0015","90","","118.878","0.004","90","","2514.7","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H30 Hg N6 Ni S5 Sb2 -","- C9 H30 Hg N6 Ni S5 Sb2 -","- C36 H120 Hg4 N24 Ni4 S20 Sb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0496","0.0348","","","0.0903","0.0973","","","","","","1.026","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510262","11.7218","0.0018","9.9484","0.0015","14.02","0.002","90","","109.557","0.002","90","","1540.6","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg3 Mn N6 S10 Sb4 -","- C8 H26 Hg3 Mn N6 S10 Sb4 -","- C16 H52 Hg6 Mn2 N12 S20 Sb8 -","2","0.5","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.0253","0.022","","","0.0633","0.065","","","","","","1.025","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510263","10.709","0.004","20.74","0.008","10.786","0.004","90","","114.641","0.004","90","","2177.5","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Hg Mn N6 S5 Sb2 -","- C8 H26 Hg Mn N6 S5 Sb2 -","- C32 H104 Hg4 Mn4 N24 S20 Sb8 -","4","1","","Yue, Cheng-Yang; Lei, Xiao-Wu; Liu, Rui-Qiu; Zhang, Hui-Ping; Zhai, Xiu-Rong; Li, Wen-Peng; Zhou, Meng; Zhao, Zhi-Fei; Ma, Yun-Xiang; Yang, Ya-Dong","Syntheses, Crystal Structures, and Photocatalytic Properties of a Series of Mercury Thioantimonates Directed by Transition Metal Complexes","Crystal Growth & Design","2014","14","5","2411","","10.1021/cg500153u","","","0.71073","MoKα","","0.045","0.0309","","","0.0718","0.0774","","","","","","1.016","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510264","7.771","0.002","9.8","0.002","15.1018","0.0013","90","","90.328","0.014","90","","1150.1","0.4","296","2","296","2","2160000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.1612","0.1077","","","0.2784","0.3269","","","","","","1.177","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510265","7.7762","0.0009","9.782","0.003","15.1099","0.0019","90","","90.463","0.01","90","","1149.3","0.4","296","2","296","2","2300000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.119","0.0817","","","0.2024","0.2279","","","","","","1.175","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510266","7.66","0.011","9.7348","0.0006","15.053","0.0008","90","","90.42","0.02","90","","1122.5","1.6","296","2","296","2","2400000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dabcoHClO4 methanol cocrystal","1,4-diazabicyclo[2.2.2]octane perchlorate methanol cocrystal","","- C8 H21 Cl N2 O6 -","- C8 H21 Cl N2 O6 -","- C32 H84 Cl4 N8 O24 -","4","1","","Anioła, Michalina; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Solvate Crystallization of 1,4-Diazabicyclo[2.2.2]octane Perchlorate with Methanol","Crystal Growth & Design","2014","14","5","2187","","10.1021/cg4016959","","","0.71073","MoKα","","0.0954","0.0776","","","0.1263","0.1335","","","","","","1.138","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510267","9.8166","0.0015","15.448","0.003","17.313","0.003","114.971","0.007","100.174","0.009","90.326","0.009","2333.1","0.7","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C96 H132 N8 O10 -","2","1","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","0.71073","MoKα","","0.1869","0.0677","","","0.1544","0.2092","","","","","","0.982","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510268","9.8183","0.0004","15.427","0.0006","46.7832","0.0017","81.262","0.003","88.059","0.003","89.925","0.003","6999.8","0.5","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C288 H396 N24 O30 -","6","3","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","1.5418","CuKα","","0.1394","0.0736","","","0.2009","0.2768","","","","","","1","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510269","9.7937","0.0003","15.2747","0.0005","31.0802","0.001","90","","98.472","0.003","90","","4598.7","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 N4 O5 -","- C48 H66 N4 O5 -","- C192 H264 N16 O20 -","4","1","","McKellar, Scott C.; Kennedy, Alan R.; McCloy, Neil C.; McBride, Eileen; Florence, Alastair J.","Formulation of Liquid Propofol as a Cocrystalline Solid","Crystal Growth & Design","2014","14","5","2422","","10.1021/cg500155p","","","0.71073","MoKα","","0.1752","0.0536","","","0.1152","0.1369","","","","","","0.723","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510271","6.3131","0.0003","8.0821","0.0005","20.8006","0.0012","90","","90","","90","","1061.31","0.1","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 O5 Zn -","- C10 H10 O5 Zn -","- C40 H40 O20 Zn4 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0261","0.0261","","","0.0957","0.0957","","","","","","0.991","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510272","11.6251","0.0009","12.2299","0.0011","15.6845","0.0013","90","","109.713","0.004","90","","2099.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cd N2 O8 -","- C20 H24 Cd N2 O8 -","- C80 H96 Cd4 N8 O32 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0538","0.0532","","","0.1572","0.1578","","","","","","1.128","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510273","14.5663","0.0006","13.4855","0.0005","24.6581","0.0014","90","","94.734","0.002","90","","4827.2","0.4","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H18 Cu N4 O4 -","- C22 H18 Cu N4 O4 -","- C176 H144 Cu8 N32 O32 -","8","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.0826","0.0621","","","0.1422","0.1491","","","","","","1.152","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510274","23.6532","0.0009","16.1209","0.0006","13.6472","0.0005","90","","97.159","0.001","90","","5163.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O8 -","- C44 H36 Cd2 N8 O8 -","- C176 H144 Cd8 N32 O32 -","4","1","","Parshamoni, Srinivasulu; Sanda, Suresh; Jena, Himanshu Sekhar; Tomar, Kapil; Konar, Sanjit","Exploration of Structural Topologies in Metal‒Organic Frameworks Based on 3-(4-Carboxyphenyl)propionic Acid, Their Synthesis, Sorption, and Luminescent Property Studies","Crystal Growth & Design","2014","14","4","2022","","10.1021/cg500149s","","","0.71073","MoKα","","0.1048","0.0924","","","0.2303","0.2376","","","","","","1.149","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510275","19.418","0.003","19.418","0.003","25.392","0.004","90","","90","","90","","9574","3","100","2","100","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C20 H20 Cu N8 O4 P2 -","- C20 H20 Cu N8 O4 P2 -","- C320 H320 Cu16 N128 O64 P32 -","16","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0375","0.0283","","","0.0771","0.0856","","","","","","1.045","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4510276","13.158","0.008","14.942","0.009","16.667","0.01","90","","90","","90","","3277","3","296","2","296","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C26 H42 Cu N10 O10 P2 -","- C26 H34 Cu N10 O10 P2 -","- C104 H136 Cu4 N40 O40 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0623","0.058","","","0.1657","0.1683","","","","","","1.163","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510277","13.158","0.008","14.942","0.009","16.667","0.01","90","","90","","90","","3277","3","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H24 Cu N8 O6 P2 -","- C20 H24 Cu N8 O6 P2 -","- C80 H96 Cu4 N32 O24 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0434","0.0396","","","0.108","0.1096","","","","","","1.129","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510278","13.4495","0.0014","15.0521","0.0016","16.6729","0.0017","90","","90","","90","","3375.3","0.6","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H22 Cu N8 O6 P2 -","- C20 H24 Cu N8 O6 P2 -","- C80 H96 Cu4 N32 O24 P8 -","4","0.25","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0878","0.0862","","","0.1832","0.1838","","","","","","1.201","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4510279","11.08","0.0003","10.0088","0.0003","14.0334","0.0004","90","","90.584","0.002","90","","1556.19","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cu N10 O6 P2 -","- C26 H34 Cu N10 O6 P2 -","- C52 H68 Cu2 N20 O12 P4 -","2","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0502","0.0358","","","0.0943","0.1027","","","","","","1.06","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510280","11.6307","0.0015","19.702","0.002","15.3466","0.0019","90","","110.414","0.003","90","","3295.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H65 Cu2 N21 O11 P4 -","- C53 H65 Cu2 N21 O11 P4 -","- C106 H130 Cu4 N42 O22 P8 -","2","0.5","","Gupta, Arvind K.; Srivastava, Anant Kumar; Mahawar, Indra Kumar; Boomishankar, Ramamoorthy","Discrete and Polymeric Cu(II) Complexes Derived from in Situ Generated Pyridyl-Functionalized Bis(amido)phosphate Ligands, [PO2(NHPy)2]−","Crystal Growth & Design","2014","14","4","1701","","10.1021/cg401847w","","","0.71073","MoKα","","0.0791","0.0469","","","0.1076","0.1239","","","","","","1.035","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510282","7.3792","0.0008","9.4077","0.001","14.9887","0.0016","79.44","0.004","81.526","0.004","88.573","0.004","1011.74","0.19","97","2","97","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N2 O8 -","- C22 H24 N2 O8 -","- C44 H48 N4 O16 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","","","0.71073","MoKα","","0.0642","0.0423","","","0.1137","0.132","","","","","","1.041","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510283","6.9991","0.0014","12.106","0.002","13.199","0.003","96.07","0.03","103.76","0.03","106.11","0.03","1025.8","0.4","97","2","97","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O5 -","- C22 H26 N2 O5 -","- C44 H52 N4 O10 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","","","0.71073","MoKα","","0.0492","0.0374","","","0.1083","0.1224","","","","","","1.054","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510284","13.2492","0.0002","10.8238","0.00014","8.37998","0.0001","96.0718","0.0008","93.5031","0.0011","91.5041","0.001","1192.12","0.03","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 N4 O3 -","- C28 H26 N4 O3 -","- C56 H52 N8 O6 -","2","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","powder diffraction","","1.54175","CuKα","","","","","","","","","3.9217","3.74","","","","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510285","19.3678","0.0002","13.85573","0.0001","7.72653","0.00005","90","","95.03","0.0007","90","","2065.47","0.03","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O4 -","- C24 H22 N2 O4 -","- C96 H88 N8 O16 -","4","1","","Grecu, Tudor; Adams, Harry; Hunter, Christopher A.; McCabe, James F.; Portell, Anna; Prohens, Rafel","Virtual Screening Identifies New Cocrystals of Nalidixic Acid","Crystal Growth & Design","2014","14","4","1749","","10.1021/cg401889h","powder diffraction","","1.5418","CuKα","","","","","","","","","5.1593","6","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4510286","10.1658","0.0008","17.0109","0.0012","19.4946","0.0012","85.379","0.008","84.001","0.008","73.599","0.008","3211.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Fe N6 S2 -","- C30 H36 Fe N6 S2 -","- C120 H144 Fe4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0715","0.0434","","","0.1076","0.1188","","","","","","0.981","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510287","9.8148","0.0003","16.9806","0.0007","20.0807","0.0006","90","","99.849","0.002","90","","3297.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Mn N6 S2 -","- C30 H36 Mn N6 S2 -","- C120 H144 Mn4 N24 S8 -","4","1","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0853","0.0663","","","0.1545","0.1656","","","","","","1.128","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510288","10.3881","0.0004","16.3106","0.0007","20.1423","0.0008","91.552","0.003","90.799","0.003","102.835","0.003","3325.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Fe N6 S2 -","- C30 H36 Fe N6 S2 -","- C120 H144 Fe4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.1201","0.0777","","","0.1961","0.2237","","","","","","1.061","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510289","8.9684","0.0006","10.677","0.0007","10.956","0.0007","67.46","0.005","67.36","0.005","83.94","0.005","893.21","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C32 H36 N8 Ni2 S4 -","2","1","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0921","0.0516","","","0.1194","0.1351","","","","","","1.04","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510290","11.1707","0.0008","39.5124","0.0019","9.133","0.0007","90","","115.2","0.008","90","","3647.5","0.5","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H18 N4 Ni S2 -","- C16 H18 N4 Ni S2 -","- C128 H144 N32 Ni8 S16 -","8","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0477","0.0383","","","0.1002","0.1043","","","","","","1.037","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510291","5.7737","0.0004","18.3907","0.001","8.5647","0.0006","90","","96.165","0.008","90","","904.16","0.1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn N4 S2 -","- C16 H18 Mn N4 S2 -","- C32 H36 Mn2 N8 S4 -","2","0.5","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0375","0.0303","","","0.0754","0.0779","","","","","","1.032","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510292","11.8301","0.0005","16.4075","0.0008","18.6847","0.0008","72.304","0.003","75.684","0.004","77.015","0.004","3303.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Mn N6 S2 -","- C30 H36 Mn N6 S2 -","- C120 H144 Mn4 N24 S8 -","4","2","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0904","0.0605","","","0.1519","0.1688","","","","","","1.043","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510293","11.0253","0.0007","12.8112","0.0007","7.6416","0.0005","90","","107.476","0.007","90","","1029.54","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Mn N4 O2 S2 -","- C16 H22 Mn N4 O2 S2 -","- C32 H44 Mn2 N8 O4 S4 -","2","0.5","","Wöhlert, Susanne; Runčevski, Tomče; Dinnebier, Robert E.; Ebbinghaus, Stefan G.; Näther, Christian","Synthesis, Structures, Polymorphism, and Magnetic Properties of Transition Metal Thiocyanato Coordination Compounds","Crystal Growth & Design","2014","14","4","1902","","10.1021/cg500037d","","","0.71073","MoKα","","0.0523","0.0426","","","0.1112","0.1174","","","","","","1.04","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510294","11.009","0.001","12.165","0.0009","23.177","0.002","94.727","0.01","95.591","0.011","110.903","0.009","2862.9","0.5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","C2C12imBr","1-Ethyl-3-Dodecylimidazolium bromide","","- C17 H33 Br N2 -","- C17 H33 Br N2 -","- C102 H198 Br6 N12 -","6","3","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","A Systematic Study on the Mesomorphic Behavior of Asymmetrical 1-Alkyl-3-dodecylimidazolium Bromides","Crystal Growth & Design","2014","14","4","1561","","10.1021/cg401396n","","","0.71073","MoKα","","0.0554","0.0293","","","0.0563","0.0599","","","","","","0.785","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510295","12.246","0.002","12.25","0.003","34.687","0.007","90","","90.55","0.03","90","","5203.3","1.9","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H30 S2 Si2 -","- C26 H30 S2 Si2 -","- C208 H240 S16 Si16 -","8","2","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69411","synchrotron","","0.0749","0.0606","","","0.1727","0.1839","","","","","","1.07","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510296","5.7908","0.0001","7.2544","0.0002","35.8193","0.0009","90","0.003","94.256","0.002","90","0.002","1500.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 F2 S2 -","- C20 H12 F2 S2 -","- C80 H48 F8 S8 -","4","1","","Postnikov, Valery A.; Odarchenko, Yaroslav I.; Iovlev, Alexander V.; Bruevich, Vladimir V.; Pereverzev, Alexander Yu.; Kudryashova, Ludmila G.; Sobornov, Vladimir V.; Vidal, Loïc; Chernyshov, Dmitry; Luponosov, Yuriy N.; Borshchev, Oleg V.; Surin, Nikolay M.; Ponomarenko, Sergei A.; Ivanov, Dimitri A.; Paraschuk, Dmitry Yu.","Molecularly Smooth Single-Crystalline Films of Thiophene‒Phenylene Co-Oligomers Grown at the Gas‒Liquid Interface","Crystal Growth & Design","2014","14","4","1726","","10.1021/cg401876a","","","0.69412","synchrotron","","0.0663","0.0611","","","0.1981","0.2005","","","","","","1.106","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510297","32.4383","0.0011","16.1532","0.0004","14.8332","0.0008","90","","107.194","0.003","90","","7425","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H84 Ag3 N15 O24 -","- C60 H84 Ag3 N15 O24 -","- C240 H336 Ag12 N60 O96 -","4","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.1147","0.1016","","","0.3011","0.3152","","","","","","1.282","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510298","33.154","0.0005","16.0516","0.0002","14.9568","0.0002","90","","108.308","0.001","90","","7556.73","0.18","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H88 Ag3 N15 O25 -","- C64 H88 Ag3 N15 O25 -","- C256 H352 Ag12 N60 O100 -","4","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.0876","0.0747","","","0.2233","0.241","","","","","","1.031","","","","has coordinates","179649","2020-10-21","18:00:00",""
"4510299","14.1583","0.0002","27.6117","0.0003","9.6431","0.0001","90","","94.526","0.001","90","","3758.07","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Ag3 N15 O19 -","- C62 H72 Ag3 N15 O19 -","- C124 H144 Ag6 N30 O38 -","2","0.5","","Kim, Euni; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Suprachannels via a Molecular Array of 2D Networks: Solvent Effects, Anion Exchange, and Physicochemical Properties of Silver(I) Complexes BearingN,N′,N″-Tris(2-pyridinylethyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2014","14","4","1888","","10.1021/cg500025k","","","0.71073","MoKα","","0.13","0.0811","","","0.2432","0.2846","","","","","","1.028","","","","has coordinates,has disorder","179649","2020-10-21","18:00:00",""
"4510300","12.867","0.015","9.93","0.012","8.001","0.009","90","","90","","90","","1022","2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K1.7Na1.3B6O10Br","","","- B6 Br K1.7 Na1.3 O10 -","- B6 Br K1.697 Na1.303 O10 -","- B24 Br4 K6.788 Na5.212 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0667","0.0447","","","0.1018","0.1171","","","","","","1.053","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510301","12.818","0.003","10.041","0.002","7.5413","0.0019","90","","90","","90","","970.6","0.4","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","K0.80Na2.20B6O10Br","","","- B6 Br K0.8 Na2.2 O10 -","- B6 Br K0.801 Na2.199 O10 -","- B24 Br4 K3.204 Na8.796 O40 -","4","0.5","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0534","0.0387","","","0.1144","0.142","","","","","","1.154","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510302","10.071","0.003","10.071","0.003","8.824","0.004","90","","90","","120","","775.1","0.5","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","K2.87Na0.13B6O10Br","","","- B6 Br K2.87 Na0.13 O10 -","- B6 Br K2.874 Na0.126 O10 -","- B18 Br3 K8.622 Na0.378 O30 -","3","0.166667","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0453","0.0424","","","0.0981","0.1002","","","","","","1.091","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510303","10.05","0.002","10.05","0.002","8.816","0.004","90","","90","","120","","771.1","0.4","296","2","296","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","K2.33Na0.67B6O10Br","","","- B6 Br K2.33 Na0.67 O10 -","- B6 Br K2.322 Na0.678 O10 -","- B18 Br3 K6.966 Na2.034 O30 -","3","0.166667","","Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan","Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property","Crystal Growth & Design","2014","14","4","1794","","10.1021/cg4019103","","","0.71073","MoKα","","0.0206","0.0197","","","0.0474","0.0476","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510304","11.2209","0.0004","10.0203","0.0004","18.7351","0.0008","90","","90","","90","","2106.51","0.14","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510305","11.2187","0.0002","10.0056","0.0002","18.73","0.0004","90","","90","","90","","2102.44","0.07","275","2","275","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510306","11.20949","0.00018","9.98321","0.00018","18.7137","0.0003","90","","90","","90","","2094.19","0.06","250","2","250","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510307","11.20324","0.00019","9.96483","0.00018","18.7053","0.0004","90","","90","","90","","2088.23","0.07","225","2","225","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510308","11.1927","0.0003","9.9481","0.0003","18.6989","0.0007","90.406","0.003","90","","90","","2082","0.11","200","2","200","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510309","11.1828","0.0004","9.9261","0.0005","18.6889","0.001","90.679","0.005","90","","90","","2074.35","0.17","175","2","175","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510310","11.1763","0.0004","9.915","0.0006","18.6822","0.0011","90.912","0.006","90","","90","","2069.97","0.19","150","2","150","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510311","11.1668","0.0004","9.8988","0.0005","18.6714","0.001","91.313","0.005","90","","90","","2063.36","0.17","125","2","125","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510312","11.1619","0.0004","9.887","0.0004","18.6616","0.001","91.493","0.004","90","","90","","2058.75","0.16","100","2","100","2","","","","","","","","4","P 21/b 1 1","-P 2xab","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C64 H144 N16 O32 -","16","4","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510313","5.4525","0.0005","19.9258","0.0012","9.8027","0.0009","90","","91.76","0.007","90","","1064.52","0.15","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510314","5.434","0.0005","19.9056","0.0012","9.7935","0.0009","90","","91.884","0.007","90","","1058.76","0.15","275","2","275","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510315","5.4179","0.0004","19.8855","0.0012","9.7869","0.0008","90","","91.958","0.007","90","","1053.8","0.13","250","2","250","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510316","5.403","0.0004","19.8661","0.0011","9.7808","0.0008","90","","92.048","0.006","90","","1049.17","0.13","225","2","225","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510317","5.3874","0.0004","19.8354","0.0011","9.7721","0.0007","90","","92.1","0.006","90","","1043.56","0.12","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510318","5.3738","0.0004","19.8094","0.001","9.7661","0.0007","90","","92.152","0.006","90","","1038.89","0.12","175","2","175","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510319","5.3615","0.0004","19.7898","0.001","9.7622","0.0007","90","","92.201","0.006","90","","1035.03","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510320","5.3512","0.0004","19.7699","0.0009","9.7591","0.0006","90","","92.228","0.005","90","","1031.66","0.11","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510321","5.3412","0.0003","19.7534","0.0009","9.7538","0.0006","90","","92.255","0.005","90","","1028.3","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N,N-dimethylglycine","2-(Dimethylamino)acetic acid","","- C4 H9 N O2 -","- C4 H9 N O2 -","- C32 H72 N8 O16 -","8","2","","Kapustin, Eugene A.; Minkov, Vasily S.; Stare, Jernej; Boldyreva, Elena V.","One Hydrogen Bond—Two Ways To Build a Structure. The Role of N‒H···O Hydrogen Bonds in Crystal Structures ofN,N-Dimethylglycine","Crystal Growth & Design","2014","14","4","1851","","10.1021/cg5000183","","","0.71073","MoKα","","","","","","","","","","","","","","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510322","8.4484","0.0006","10.3292","0.0007","13.6867","0.0009","90","","104.576","0.004","90","","1155.93","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 Co N5 O7 -","- C23 H27 Co N5 O7 -","- C46 H54 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0623","0.0491","","","0.1167","0.1251","","","","","","1.02","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510323","8.4181","0.0002","10.3794","0.0002","13.6828","0.0003","90","","103.697","0.001","90","","1161.53","0.04","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","- C46 H50 N10 O14 Zn2 -","1","0.5","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.0313","0.0286","","","0.081","0.0984","","","","","","1.275","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510324","8.4008","0.0009","10.3355","0.0011","13.677","0.0015","90","","103.716","0.008","90","","1153.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H25 Co N5 O7 -","- C23 H25 Co N5 O7 -","- C46 H50 Co2 N10 O14 -","2","1","","Mendiratta, Shruti; Usman, Muhammad; Luo, Tzuoo-Tsair; Chang, Bor-Chen; Lee, Shang-Fan; Lin, Ying-Chih; Lu, Kuang-Lieh","Anion-Controlled Dielectric Behavior of Homochiral Tryptophan-Based Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","1572","","10.1021/cg401472k","","","0.71073","MoKα","","0.1236","0.0755","","","0.1392","0.1581","","","","","","0.992","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510325","12.314","0.004","14.986","0.006","27.116","0.009","90","","106.765","0.013","90","","4791","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H9 N0 O11 Zn2 -","- C24 H9 O11 Zn2 -","- C96 H36 O44 Zn8 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.0812","0.0559","","","0.1446","0.1532","","","","","","0.903","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510326","11.078","0.005","16.012","0.006","23.804","0.009","90","","95.333","0.009","90","","4204","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 O11 S Zn2 -","- C26 H15 O11 S Zn2 -","- C104 H60 O44 S4 Zn8 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.1545","0.0769","","","0.2047","0.2297","","","","","","0.799","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510327","12.435","0.007","14.584","0.009","27.018","0.015","90","","107.87","0.02","90","","4663","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H0 Cu2 O11 -","- C24 H9 Cu2 O11 -","- C96 H36 Cu8 O44 -","4","1","","Zhao, Nian; Sun, Fuxing; He, Hongming; Jia, Jiangtao; Zhu, Guangshan","Solvent-Induced Single Crystal To Single Crystal Transformation and Complete Metal Exchange of a Pyrene-Based Metal‒Organic Framework","Crystal Growth & Design","2014","14","4","1738","","10.1021/cg401887b","","","0.71073","MoKα","","0.0881","0.0518","","","0.1204","0.129","","","","","","0.807","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510328","23.798","0.008","19.705","0.008","13.445","0.005","90","","112.564","0.008","90","","5822","4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H19 N3 O7.5 Zn2 -","- C30 H19 N3 O7.5 Zn2 -","- C240 H152 N24 O60 Zn16 -","8","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0537","0.0402","","","0.1049","0.1118","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510329","12.1335","0.0011","7.9711","0.0007","20.3084","0.0019","90","","97.443","0.001","90","","1947.6","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Cl N3 O2 Zn -","- C22 H14 Cl N3 O2 Zn -","- C88 H56 Cl4 N12 O8 Zn4 -","4","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0408","0.0301","","","0.0727","0.0792","","","","","","1.035","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510330","12.5807","0.0016","9.3402","0.0012","19.104","0.003","90","","103.775","0.003","90","","2180.3","0.5","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C52 H34 N6 O9 Zn2 -","- C52 H34 N6 O9 Zn2 -","- C104 H68 N12 O18 Zn4 -","2","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0925","0.0531","","","0.1003","0.1159","","","","","","1.017","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510331","12.4642","0.0019","12.5823","0.0017","15.269","0.002","104.357","0.002","108.967","0.002","90.771","0.003","2182.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 N6 O8 Zn2 -","- C52 H32 N6 O8 Zn2 -","- C104 H64 N12 O16 Zn4 -","2","1","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.1129","0.0756","","","0.1281","0.1463","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510332","11.605","0.002","12.34","0.002","14.606","0.004","99.002","0.003","96.346","0.004","116.734","0.002","1805.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 Cd2 N12 O9 -","- C88 H56 Cd2 N12 O9 -","- C88 H56 Cd2 N12 O9 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0375","0.0314","","","0.0709","0.0742","","","","","","1.035","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510333","14.896","0.003","9.8043","0.0017","17.559","0.003","90","","93.155","0.003","90","","2560.5","0.8","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H36 Cd3 N6 O12 -","- C60 H36 Cd3 N6 O12 -","- C120 H72 Cd6 N12 O24 -","2","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.105","0.0482","","","0.0889","0.108","","","","","","0.98","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510334","11.5711","0.0009","12.1705","0.0009","14.5802","0.0019","98.625","0.002","94.455","0.002","116.501","0.001","1792.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C88 H56 N12 O10 Zn2 -","- C88 H56 N12 O10 Zn2 -","- C88 H56 N12 O10 Zn2 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0635","0.0462","","","0.1036","0.1129","","","","","","1.038","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510335","14.198","0.003","14.443","0.003","18.56","0.003","67.524","0.003","71.377","0.003","65.82","0.003","3147.9","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C136 H86 N12 O39 Zn9 -","- C136 H86 N12 O39 Zn9 -","- C136 H86 N12 O39 Zn9 -","1","0.5","","Xu, Bing; Xie, Juan; Hu, Huai-Ming; Yang, Xiao-Le; Dong, Fa-Xin; Yang, Meng-Lin; Xue, Gang-Lin","Synthesis, Crystal Structure, and Luminescence of Zn/Cd Coordination Polymers with a New Fuctionalized Terpyridyl Carboxylate Ligand","Crystal Growth & Design","2014","14","4","1629","","10.1021/cg4016977","","","0.71073","MoKα","","0.0606","0.0421","","","0.0903","0.0998","","","","","","1.009","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510336","17.0836","0.0011","16.9192","0.0011","21.0915","0.0014","90","","110.954","0.004","90","","5693.1","0.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H50 N2 O21 Zn4 -","- C54 H45 N2 O21 Zn4 -","- C216 H180 N8 O84 Zn16 -","4","1","","Kim, Yeonga; Song, Jeong Hwa; Lee, Woo Ram; Phang, Won Ju; Lim, Kwang Soo; Hong, Chang Seop","Reversible Structural Flexibility and Sensing Properties of a Zn(II) Metal‒Organic Framework: Phase Transformation between Interpenetrating 3D Net and 2D Sheet","Crystal Growth & Design","2014","14","4","1933","","10.1021/cg500052v","","","0.71073","MoKα","","0.0766","0.0543","","","0.0912","0.0981","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510337","14.05","0.002","20.156","0.003","20.378","0.003","90","","101.717","0.006","90","","5650.6","1.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H20 Cd1.25 N2 O6 -","- C32 H20 Cd1.25 N2 O6 -","- C128 H80 Cd5 N8 O24 -","4","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.0958","0.0773","","","0.2111","0.2244","","","","","","0.984","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510338","30.4643","0.0006","30.4643","0.0006","10.0841","0.0004","90","","90","","120","","8104.9","0.4","100","2","100","2","","","","","","","","6","P -3","-P 3","147","","","","- C240 H180 Cd17 Cl4 N24 O87 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","- C240.108 H144 Cd17 Cl4 N24 O87.162 -","1","0.166667","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Three Porphyrin-Encapsulating Metal‒Organic Materials with Ordered Metalloporphyrin Moieties","Crystal Growth & Design","2014","14","4","1526","","10.1021/cg500192d","","","1.54178","CuKα","","0.1123","0.0863","","","0.2568","0.2811","","","","","","1.022","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510339","11.1578","0.0001","15.5651","0.0002","16.1486","0.0002","90","","103.75","","90","","2724.19","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][La(C12H6O4)2(H2O)]×H2O","[C6H7N4][La(C12H6O4)2(H2O)]×H2O","","- C30 H23 La N4 O10 -","- C30 H23 La N4 O10 -","- C120 H92 La4 N16 O40 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0172","0.0165","","","0.0624","0.0632","","","","","","1.013","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510340","11.179","0.005","15.482","0.007","16.052","0.007","90","","103.943","0.004","90","","2696","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Pr(C12H6O4)2(H2O)]×H2O","[C6H7N4][Pr(C12H6O4)2(H2O)]×H2O","","- C30 H23 N4 O10 Pr -","- C30 H23 N4 O10 Pr -","- C120 H92 N16 O40 Pr4 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0343","0.0323","","","0.1174","0.1219","","","","","","1.013","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510341","23.0803","0.0007","15.5854","0.0003","15.6694","0.0004","90","","103.898","0.002","90","","5471.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4]2[Sm2(C12H6O4)4(H2O)4]×1/2H2O","[C6H7N4]2[Sm2(C12H6O4)4(H2O)2]×1/2H2O","","- C60 H43 N8 O18.5 Sm2 -","- C60 H43 N8 O18.5 Sm2 -","- C240 H172 N32 O74 Sm8 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0354","0.0332","","","0.1155","0.1189","","","","","","0.986","","","","has coordinates","194586","2020-10-21","18:00:00",""
"4510342","11.7225","0.0001","15.7466","0.0001","15.4261","0.0001","90","","104.63","","90","","2755.17","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Eu(C12H6O4)2(H2O)]","[C6H7N4][Eu(C12H6O4)2(H2O)]","","- C30 H21 Eu N4 O9 -","- C30 H21 Eu N4 O9 -","- C120 H84 Eu4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0296","0.0254","","","0.0759","0.0792","","","","","","1.012","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510343","11.7508","0.0004","15.7702","0.0004","15.359","0.0005","90","","104.795","0.001","90","","2751.85","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Gd(C12H6O4)2](H2O)","[C6H7N4][Gd(C12H6O4)2](H2O)","","- C30 H21 Gd N4 O9 -","- C30 H21 Gd N4 O9 -","- C120 H84 Gd4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.044","0.0397","","","0.1215","0.128","","","","","","0.978","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510344","11.7438","0.0001","15.7457","0.0001","15.3042","0.0001","90","","105.051","0.001","90","","2732.88","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Tb(C12H6O4)2(H2O)]","[C6H7N4][Tb(C12H6O4)2(H2O)]","","- C30 H21 N4 O9 Tb -","- C30 H21 N4 O9 Tb -","- C120 H84 N16 O36 Tb4 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0302","0.0236","","","0.0569","0.0602","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510345","11.7439","0.0001","15.7292","0.0002","15.2552","0.0002","90","","105.169","0.001","90","","2719.79","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Dy(C12H6O4)2(H2O)]","[C6H7N4][Dy(C12H6O4)2(H2O)]","","- C30 H21 Dy N4 O9 -","- C30 H21 Dy N4 O9 -","- C120 H84 Dy4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0334","0.0291","","","0.0877","0.0912","","","","","","1.018","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510346","11.7276","0.0002","15.693","0.0003","15.2043","0.0003","90","","105.308","0.001","90","","2698.94","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[C6H7N4][Er(C12H6O4)2(H2O)]","[C6H7N4][Er(C12H6O4)2(H2O)]","","- C30 H21 Er N4 O9 -","- C30 H21 Er N4 O9 -","- C120 H84 Er4 N16 O36 -","4","1","","Lu, Ying-Bing; Jian, Fang-Mei; Jin, Shuang; Zhao, Jun-Wei; Xie, Yong-Rong; Luo, Guo-Tian","Three-Dimensional Extended Frameworks Constructed from Dinuclear Lanthanide(III) 1,4-Naphthalenedicarboxylate Units with Bis(2,2′-biimidazole) Templates: Syntheses, Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","4","1684","","10.1021/cg401825f","","","0.71073","MoKα","","0.0516","0.0394","","","0.0859","0.0886","","","","","","0.965","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510347","9.5286","0.0003","9.7893","0.0003","13.7723","0.0005","90","","107.421","0.004","90","","1225.73","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cd3 O14 -","- C24 H18 Cd3 O14 -","- C48 H36 Cd6 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0751","0.0682","","","0.1531","0.1561","","","","","","1.076","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510348","16.9258","0.0008","10.7402","0.0005","27.8893","0.0017","90","","105.97","0.005","90","","4874.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cd3 N4 O14 -","- C50 H46 Cd3 N4 O14 -","- C200 H184 Cd12 N16 O56 -","4","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0771","0.0555","","","0.0897","0.095","","","","","","1.162","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510349","14.6246","0.0008","12.9505","0.0006","14.8149","0.0008","90","","108.622","0.006","90","","2659","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H50 Cd3 N8 O16 -","- C52 H50 Cd3 N8 O16 -","- C104 H100 Cd6 N16 O32 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.051","0.0407","","","0.0731","0.0759","","","","","","1.087","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510350","18.7884","0.0008","10.2572","0.0004","13.2908","0.0007","90","","99.863","0.005","90","","2523.5","0.2","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H46 Cd3 N8 O14 -","- C52 H46 Cd3 N8 O14 -","- C104 H92 Cd6 N16 O28 -","2","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0436","0.0372","","","0.0653","0.0679","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510351","10.3343","0.0007","13.2335","0.0011","17.7162","0.0012","106.678","0.006","92.95","0.005","107.797","0.007","2184","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H84 Cd3 N18 O20 -","- C84 H84 Cd3 N18 O20 -","- C84 H84 Cd3 N18 O20 -","1","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.1101","0.0738","","","0.1306","0.1419","","","","","","1.065","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510352","9.9516","0.0003","15.7818","0.0007","16.5509","0.0007","110.421","0.004","101.582","0.003","90.029","0.003","2379.37","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H106 Cd3 N10 O28 -","- C94 H106 Cd3 N10 O28 -","- C94 H106 Cd3 N10 O28 -","1","0.5","","Cao, Li-Hui; Wei, Yong-Li; Yang, Yang; Xu, Hong; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Crystal Structures and Properties of Cd(II) Coordination Polymers Supported by a New Chiral Aromatic Polycarboxylate Ligand","Crystal Growth & Design","2014","14","4","1827","","10.1021/cg401935z","","","0.71073","MoKα","","0.0971","0.076","","","0.1707","0.1804","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510353","5.877","0.003","19.574","0.009","12.586","0.006","90","","97.791","0.009","90","","1434.5","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 N2 Se -","- C18 H12 N2 Se -","- C72 H48 N8 Se4 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.1298","0.0555","","","0.1343","0.167","","","","","","0.994","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510354","13.914","0.004","5.2933","0.0017","18.897","0.006","90","","110.716","0.006","90","","1301.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 S2 Se -","- C14 H8 N2 S2 Se -","- C56 H32 N8 S8 Se4 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.1514","0.0846","","","0.235","0.2922","","","","","","1.025","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510355","16.166","0.005","12.751","0.004","6.6381","0.0017","90","","90","","90","","1368.3","0.7","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C14 H8 N2 Se3 -","- C14 H8 N2 Se3 -","- C56 H32 N8 Se12 -","4","1","","Pati, Palas Baran; Zade, Sanjio S.","Benzoselenadiazole Containing Donor‒Acceptor‒Donor Small Molecules: Nonbonding Interactions, Packing Patterns, and Optoelectronic Properties","Crystal Growth & Design","2014","14","4","1695","","10.1021/cg401830f","","","0.71073","MoKα","","0.0788","0.0539","","","0.1563","0.1772","","","","","","1.067","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510356","4.9709","0.0002","9.7703","0.0005","24.2865","0.0013","90","","90","","90","","1179.53","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","","- C10 H13 N O5 S -","- C10 H13 N O5 S -","- C40 H52 N4 O20 S4 -","4","1","","Zolotarev, Pavel N.; Arshad, Muhammad Nadeem; Asiri, Abdullah M.; Al-amshany, Zahra M.; Blatov, Vladislav A.","A Possible Route toward Expert Systems in Supramolecular Chemistry: 2-Periodic H-Bond Patterns in Molecular Crystals","Crystal Growth & Design","2014","14","4","1938","","10.1021/cg500066p","","","1.54184","CuKα","","0.0521","0.0442","","","0.1042","0.1123","","","","","","1.084","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510357","24.942","0.003","24.942","0.003","24.942","0.003","90","","90","","90","","15517","3","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C64 H64 N6 O30 Zn5 -","- C63.96 H57.84 N5.98 O30 Zn5 -","- C255.84 H231.36 N23.92 O120 Zn20 -","4","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.74999","Synchrotron","","0.0967","0.0709","","","0.2181","0.2343","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510358","18.018","0.003","18.018","0.003","20.174","0.004","90","","90","","120","","5672","1.7","100","2","100","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C34 H40 N4 O18 Zn2 -","- C30 H24 N2 O18 Zn2 -","- C60 H48 N4 O36 Zn4 -","2","0.166667","","Chun, Hyungphil; Bak, Woojeong; Hong, Keunil; Moon, Dohyun","A Simple and Rational Approach for Binodal Metal‒Organic Frameworks with Tetrahedral Nodes and Unexpected Multimodal Porosities from Nonstoichiometric Defects","Crystal Growth & Design","2014","14","4","1998","","10.1021/cg500116f","","","0.8","Synchrotron","","0.1754","0.1121","","","0.2969","0.3192","","","","","","1.703","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510359","12.323","0.005","18.408","0.005","18.015","0.005","90","0.005","104.012","0.005","90","0.005","3965","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 F12 Fe2 N4 O4 S4 -","- C32 H28 F12 Fe2 N4 O4 S4 -","- C128 H112 F48 Fe8 N16 O16 S16 -","4","0.5","","Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay","Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition","Crystal Growth & Design","2014","14","4","1811","","10.1021/cg401930n","","","0.71073","MoKα","","0.0721","0.0489","","","0.1347","0.1536","","","","","","1.031","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510360","8.1848","0.0013","10.8195","0.0017","14.7741","0.0019","76.019","0.017","86.053","0.018","70.005","0.017","1192.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H23 F6 Fe N2 O3 S2 -","- C20 H23 F6 Fe N2 O3 S2 -","- C40 H46 F12 Fe2 N4 O6 S4 -","2","1","","Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay","Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition","Crystal Growth & Design","2014","14","4","1811","","10.1021/cg401930n","","","0.71073","MoKα","","0.0875","0.0416","","","0.0858","0.0961","","","","","","0.847","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510361","8.663","0.0017","6.5838","0.0013","9.0253","0.0018","90","","116.56","0.03","90","","460.4","0.2","123","1","123","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(Me4N)(dcnm)","Tetramethylammonium dicyanonitrosomethanide","","- C7 H12 N4 O -","- C7 H13 N4 O -","- C14 H26 N8 O2 -","2","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0858","0.0691","","","0.1782","0.1954","","","","","","1.14","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510362","11.5852","0.0012","15.6154","0.0019","11.3954","0.0011","90","","109.555","0.005","90","","1942.6","0.4","173","1","173","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Me4N)(dcnom)","Tetramethylammonium dicyanonitromethanide","","- C7 H12 N4 O2 -","- C7 H12 N4 O2 -","- C56 H96 N32 O16 -","8","2","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.066","0.0463","","","0.1161","0.1273","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510363","11.5051","0.0008","16.5318","0.0011","6.3634","0.0004","90","","93.046","0.002","90","","1208.61","0.14","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(Me4N)(nbdm)","Tetramethylammonium nitroso-N,N-bis(dicyanomethanide)","","- C10 H12 N6 O -","- C10 H12 N6 O -","- C40 H48 N24 O4 -","4","0.5","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0572","0.0519","","","0.1236","0.128","","","","","","1.098","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510364","7.4023","0.0003","17.2639","0.0008","8.3753","0.0004","90","","95.899","0.002","90","","1064.63","0.08","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(Me4N)(ccnom)","Tetramethylammonium carbamoylcyanonitrosomethanide","","- C7 H14 N4 O3 -","- C7 H14 N4 O3 -","- C28 H56 N16 O12 -","4","1","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0452","0.0362","","","0.0996","0.1063","","","","","","1.059","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510365","3.5082","0.0007","15.467","0.003","9.685","0.0019","90","","98.03","0.03","90","","520.37","0.18","123","1","123","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ag(ccnom)","Silver carbamoylcyanonitromethanide","","- C3 H2 Ag N3 O3 -","- C3 H2 Ag N3 O3 -","- C12 H8 Ag4 N12 O12 -","4","1","","Chesman, Anthony S. R.; Hodgson, Jennifer L.; Izgorodina, Ekaterina I.; Urbatsch, Aron; Turner, David R.; Deacon, Glen B.; Batten, Stuart R.","Anion‒Anion Interactions in the Crystal Packing of Functionalized Methanide Anions: An Experimental and Computational Study","Crystal Growth & Design","2014","14","4","1922","","10.1021/cg500051m","","","0.71073","MoKα","","0.0402","0.0256","","","0.0531","0.058","","","","","","1.075","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510366","8.6101","0.0005","10.4552","0.0007","9.3914","0.0007","90","","93.69","0.006","90","","843.66","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","1","","Coles, Simon J.; Threlfall, Terence L.; Tizzard, Graham J.","The Same but Different: Isostructural Polymorphs and the Case of 3-Chloromandelic Acid","Crystal Growth & Design","2014","14","4","1623","","10.1021/cg401655h","","","0.71075","MoKα","","0.1224","0.0676","","","0.1678","0.1978","","","","","","1.038","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510367","8.571","0.0005","9.2373","0.0005","10.3612","0.0007","91.818","0.009","90.226","0.009","93.118","0.009","818.69","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C32 H28 Cl4 O12 -","4","2","","Coles, Simon J.; Threlfall, Terence L.; Tizzard, Graham J.","The Same but Different: Isostructural Polymorphs and the Case of 3-Chloromandelic Acid","Crystal Growth & Design","2014","14","4","1623","","10.1021/cg401655h","","","0.71075","MoKα","","0.0554","0.0381","","","0.087","0.0938","","","","","","1.01","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510368","31.9415","0.0009","36.1537","0.001","10.8862","0.0003","90","","90","","90","","12571.4","0.6","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C28 H20 O10 Pb4 -","- C28 H20 O10 Pb4 -","- C448 H320 O160 Pb64 -","16","1","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0719","0.0378","","","0.0561","0.0635","","","","","","1.014","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510369","10.7791","0.0007","22.9541","0.0016","24.1692","0.0017","90","","90.212","0.001","90","","5980","0.7","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C56 H40 O20 Pb8 -","- C56 H40 O20 Pb8 -","- C224 H160 O80 Pb32 -","4","2","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.7749","synchrotron","","0.04","0.0374","","","0.0827","0.0841","","","","","","1.004","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510370","13.263","0.003","22.855","0.004","13.483","0.004","90","","97.923","0.003","90","","4048","1.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 O13 Pb4 -","- C42 H30 O13 Pb4 -","- C168 H120 O52 Pb16 -","4","0.5","","Easterday, Clay C.; Dedon, Liv R.; Zeller, Matthias; Oertel, Catherine M.","Helical∞1[Pb2O] Chains in Polymorphs of Pb2O(C6H5COO)2","Crystal Growth & Design","2014","14","4","2048","","10.1021/cg500177f","","","0.71073","MoKα","","0.0371","0.0261","","","0.0542","0.0599","","","","","","1.051","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510371","14.0905","0.0003","6.2506","0.0001","17.017","0.0003","90","","91.321","0.001","90","","1498.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(4-(benzo[d]isoxazole-3-yl)piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C16 H21 N3 O3 -","- C16 H21 N3 O3 -","- C64 H84 N12 O12 -","4","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.0454","0.0402","","","0.1061","0.1103","","","","","","1.098","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510372","9.397","0.0003","10.8925","0.0003","11.0095","0.0004","65.728","0.002","67.321","0.002","77.584","0.002","945.71","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.0537","0.0438","","","0.1128","0.1212","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510373","9.2754","0.0004","10.0504","0.0005","11.858","0.0006","106.01","0.004","108.236","0.003","99.895","0.003","967.99","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(4-dibenzo[b,f][1,4]oxepin-11-yl-piperazin-1-yl)-2,2-dimethylpropanoic acid","","- C22 H25 N3 O3 -","- C22 H25 N3 O3 -","- C44 H50 N6 O6 -","2","1","","Braun, Doris E.; McMahon, Jennifer A.; Koztecki, Lien H.; Price, Sarah L.; Reutzel-Edens, Susan M.","Contrasting Polymorphism of Related Small Molecule Drugs Correlated and Guided by the Computed Crystal Energy Landscape","Crystal Growth & Design","2014","14","4","2056","","10.1021/cg500185h","","","1.54178","CuKα","","0.049","0.0392","","","0.1049","0.1115","","","","","","1.027","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510374","11.8907","0.0007","10.7607","0.0007","8.4193","0.0005","90","","101.46","0.001","90","","1055.79","0.11","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Mn N O5 P -","- C9 H10 Mn N O5 P -","- C36 H40 Mn4 N4 O20 P4 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0368","0.0283","","","0.0726","0.0779","","","","","","1.013","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510375","8.6664","0.0011","9.7198","0.0012","27.196","0.003","90","","90","","90","","2290.9","0.5","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H12 Co N O6 P -","- C9 H12 Co N O6 P -","- C72 H96 Co8 N8 O48 P8 -","8","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0594","0.0378","","","0.087","0.0988","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510376","10.6837","0.0009","5.1842","0.0004","43.511","0.004","90","","90","","90","","2409.9","0.4","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cd3 N2 O13 P2 -","- C18 H22 Cd3 N2 O13 P2 -","- C72 H88 Cd12 N8 O52 P8 -","4","1","","Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong","Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure","Crystal Growth & Design","2014","14","4","1580","","10.1021/cg4015064","","","0.71073","MoKα","","0.0642","0.0548","","","0.1465","0.1561","","","","","","1.037","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510377","4.2226","0.0014","9.193","0.003","28.19","0.009","90.056","0.005","90.057","0.006","90.049","0.006","1094.3","0.6","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","4","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0678","0.0519","","","0.1233","0.1334","","","","","","1.04","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510378","4.2026","0.0001","9.1884","0.0001","28.2702","0.0004","90","","90","","90","","1091.66","0.03","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N3 O3 S -","- C9 H13 N3 O3 S -","- C36 H52 N12 O12 S4 -","4","1","","Bredikhin, Alexander A.; Zakharychev, Dmitry V.; Gubaidullin, Aidar T.; Fayzullin, Robert R.; Pashagin, Alexander V.; Bredikhina, Zemfira A.","Crystallization Features of the Chiral Drug Timolol Precursor: The Rare Case of Conglomerate with Partial Solid Solutions","Crystal Growth & Design","2014","14","4","1676","","10.1021/cg4017905","","","0.71073","MoKα","","0.0525","0.0459","","","0.1219","0.1274","","","","","","1.05","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510379","15.6644","0.0013","9.555","0.0008","10.0249","0.0008","90","","100.696","0.002","90","","1474.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Co N5 O3 -","- C12 H14 Co N5 O3 -","- C48 H56 Co4 N20 O12 -","4","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71073","MoKα","","0.0698","0.049","","","0.1428","0.1676","","","","","","1.043","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510380","10.018","0.009","35.527","0.003","9.37","0.08","90","","90","","90","","3335","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H7 Co N4 O2 -","- C9 H7 Co N4 O2 -","- C72 H56 Co8 N32 O16 -","8","1","","Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu","Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","4","2003","","10.1021/cg500121f","","","0.71069","MoKα","","0.169","0.0928","","","0.2237","0.2414","","","","","","1.066","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510385","5.7035","0.0007","5.9553","0.0007","23.535","0.002","82.94","0.009","84.447","0.009","63.14","0.012","706.97","0.15","15","","15","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13 H21 Na O4 -","- C26 H42 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1103","0.0723","","","0.1689","0.1972","","","","","","1.059","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510386","5.7227","0.0005","5.9955","0.0005","23.661","0.002","83","0.007","89.351","0.007","63.032","0.009","717.26","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.006 H21.027 Na O4 -","- C26.012 H42.054 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1341","0.0847","","","0.1979","0.2236","","","","","","1.076","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510387","5.7272","0.0006","6.0052","0.0006","23.723","0.002","83.333","0.009","89.081","0.009","63.06","0.01","721.83","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.008 H21.036 Na O4 -","- C26.016 H42.072 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.1008","0.0818","","","0.1734","0.1812","","","","","","1.125","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510388","5.7808","0.0005","6.0812","0.0005","23.998","0.002","95.309","0.008","90.212","0.008","117.137","0.009","746.54","0.13","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H21 Na O4 -","- C13.006 H21.018 Na O4 -","- C26.012 H42.036 Na2 O8 -","2","1","","Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Bernazzani, Luca; Carignani, Elisa; Borsacchi, Silvia; Geppi, Marco","Solid‒Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study","Crystal Growth & Design","2014","14","5","2441","","10.1021/cg500161e","","","0.71073","MoKα","","0.2339","0.0987","","","0.1831","0.2379","","","","","","1.055","","","","has coordinates,has disorder","179650","2020-10-21","18:00:00",""
"4510389","7.668","0.002","12.341","0.003","35.548","0.004","90","","90","","90","","3363.9","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(4-nitrobenzoyl)-D-alaninate methanol disolvate","","- C35 H44 N4 O11 -","- C35 H44 N4 O11 -","- C140 H176 N16 O44 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.1049","0.0587","","","0.1068","0.1273","","","","","","0.975","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510390","31.826","0.006","12.51","0.003","35.668","0.003","90","","104.98","0.03","90","","13718","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(4-nitrobenzoyl)-L-alaninate 4.8-hydrate","","- C33 H45.6 N4 O13.8 -","- C33 H44.745 N4 O13.8 -","- C528 H715.92 N64 O220.8 -","16","4","","Białońska, Agata; Ciunik, Zbigniew","Seventeen-Membered Water Cluster Resulting from Recognition of Solvated Anions on Brucinium Corrugated Layers","Crystal Growth & Design","2014","14","5","2621","","10.1021/cg500310n","","","0.71073","MoKα","","0.29","0.0954","","","0.1553","0.2321","","","","","","0.955","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510391","34.838","0.014","4.952","0.002","18.965","0.008","90","","107.238","0.005","90","","3125","2","90","1","90","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 F6 N2 -","- C18.0004 H12.0004 F6 N2 -","- C144.003 H96.0032 F48 N16 -","8","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0642","","","","0.1915","","","","","","1.01","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510392","10.0242","0.001","16.1126","0.0015","25.623","0.003","106.177","0.001","95.81","0.001","100.358","0.001","3859.4","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H14 F6 N2 -","- C23 H14 F6 N2 -","- C184 H112 F48 N16 -","8","4","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0485","","","","0.1402","","","","","","1.037","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510393","9.616","0.003","9.852","0.003","18.004","0.007","103.332","0.005","98.571","0.005","105.946","0.004","1554.2","0.9","90","","90","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C72 H48 F24 N8 -","4","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71073","MoKα","","","0.0456","","","","0.1331","","","","","","1.028","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510394","7.637","0.004","15.587","0.007","16.449","0.008","90","","114.098","0.005","90","","1787.4","1.5","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F6 N2 -","- C20 H16 F6 N2 -","- C80 H64 F24 N8 -","4","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0383","","","","0.106","","","","","","1.047","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510395","4.933","0.0015","68.63","0.03","9.492","0.004","90","","104.44","0.04","90","","3112","2","90","","90","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H12 F6 N2 -","- C18 H12 F6 N2 -","- C144 H96 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71075","MoKα","","","0.0549","","","","0.1357","","","","","","0.946","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510396","31.797","0.006","5.0671","0.001","25.628","0.005","90","","108.368","0.002","90","","3918.8","1.3","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H14 F6 N2 -","- C23 H14 F6 N2 -","- C184 H112 F48 N16 -","8","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0513","","","","0.1507","","","","","","1.046","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510397","21.797","0.005","4.7866","0.0011","31.64","0.007","90","","90","","90","","3301.1","1.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C152 H112 F48 N16 -","8","2","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0488","","","","0.125","","","","","","1.051","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510398","8.858","0.003","9.351","0.003","11.404","0.004","81.884","0.004","89.636","0.004","65.688","0.003","850.8","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 F6 N2 -","- C19 H14 F6 N2 -","- C38 H28 F12 N4 -","2","1","","Karasawa, Satoru; Hagihara, Ryusuke; Abe, Yuichiro; Harada, Naomi; Todo, Jun-ichi; Koga, Noboru","Crystal Structures, Thermal Properties, and Emission Behaviors ofN,N-R-Phenyl-7-amino-2,4-trifluoromethylquinoline Derivatives: Supercooled Liquid-to-Crystal Transformation Induced by Mechanical Stimuli","Crystal Growth & Design","2014","14","5","2468","","10.1021/cg5001842","","","0.71069","MoKα","","","0.0343","","","","0.0914","","","","","","1.043","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510399","8.6087","0.0006","17.1155","0.0017","12.3063","0.0012","90","","107.67","0.006","90","","1727.7","0.3","150","1","150","1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","Br-Cl12BsubPc benzene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(benzene)","","- C30 H6 B Br Cl12 N6 -","- C30 H6 B Br Cl12 N6 -","- C60 H12 B2 Br2 Cl24 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1152","0.052","","","0.1017","0.1234","","","","","","1.003","","","","has coordinates","179650","2020-10-21","18:00:00",""
"4510400","13.1035","0.0003","7.4123","0.0002","25.5026","0.0006","90","","99.543","0.0014","90","","2442.71","0.1","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Cl-Cl6BsubPc","Chlorodo(hexachlorosubphthalocyaninato)boron(III)","","- C24 H6 B Cl7 N6 -","- C24 H6 B Cl7 N6 -","- C96 H24 B4 Cl28 N24 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0727","0.0444","","","0.1065","0.1226","","","","","","1.042","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510401","8.5924","0.0002","14.3712","0.0006","14.8152","0.0006","113.893","0.0015","97.251","0.002","93.484","0.002","1646.6","0.11","150","1","150","1","","","","","","","","5","P -1","-P 1","2","Cl-Cl12BsubPc chloroform solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(chloroform)","","- C25 H B Cl16 N6 -","- C25 H B Cl16 N6 -","- C50 H2 B2 Cl32 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.091","0.0476","","","0.102","0.1248","","","","","","1.045","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510402","8.5071","0.0004","16.7281","0.0004","12.8155","0.0006","90","","106.602","0.0016","90","","1747.72","0.12","150","1","150","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cl-Cl12BsubPc toluene solvate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C31 H8 B Cl13 N6 -","- C31 H8 B Cl13 N6 -","- C62 H16 B2 Cl26 N12 -","2","0.5","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0713","0.0422","","","0.0969","0.1137","","","","","","1.045","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510403","8.6097","0.0005","14.8531","0.0009","15.6559","0.001","79.815","0.003","74.727","0.003","88.451","0.003","1900.5","0.2","147","2","147","2","","","","","","","","6","P -1","-P 1","2","Br-Cl12BsubPc toluene solvate","Bromido(dodecachlorosubphthalocyaninato)boron(III)(toluene)","","- C34.5 H12 B Br Cl12 N6 -","- C34.5 H12 B Br Cl12 N6 -","- C69 H24 B2 Br2 Cl24 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","1.54178","CuKα","","0.0705","0.0578","","","0.1593","0.1667","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510404","13.1456","0.0003","7.4954","0.0003","25.5678","0.001","90","","99.523","0.002","90","","2484.52","0.15","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Br/Cl-Cl6BsubPc","Bromido/chlorodo(hexachlorosubphthalocyaninato)boron(III)","","- C24 H6 B Br0.27 Cl6.73 N6 -","- C24 H6 B Br0.267 Cl6.733 N6 -","- C96 H24 B4 Br1.068 Cl26.932 N24 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1207","0.0555","","","0.128","0.1596","","","","","","0.987","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510405","8.6142","0.0003","12.4441","0.0004","13.806","0.0005","89.047","0.0019","85.918","0.002","88.701","0.0017","1475.65","0.09","150","1","150","1","","","","","","","","4","P -1","-P 1","2","Cl-Cl12BsubPc sublimate","Chlorodo(dodecachlorosubphthalocyaninato)boron(III)","","- C24 B Cl13 N6 -","- C24 B Cl13 N6 -","- C48 B2 Cl26 N12 -","2","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.0582","0.0373","","","0.0841","0.0952","","","","","","1.042","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510406","12.0109","0.0003","23.7971","0.0005","15.1235","0.0005","90","","105.527","0.0012","90","","4164.9","0.2","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","F5PhO-Cl12BsubPc toluene solvate","(Pentafluorophenolato)(dodecachlorosubphthalocyaninato)boron(III)(toluene2)","","- C39.75 H11.5 B Cl12 F5 N6.5 O -","- C39.75 H11.5 B Cl12 F5 N6.5 O -","- C159 H46 B4 Cl48 F20 N26 O4 -","4","1","","Morse, Graham E.; Gong, Ivan; Kawar, Yazan; Lough, Alan J.; Bender, Timothy P.","Crystal and Solid-State Arrangement Trends of Halogenated Boron Subphthalocyanines","Crystal Growth & Design","2014","14","5","2138","","10.1021/cg401475b","","","0.71073","MoKα","","0.1057","0.0542","","","0.1234","0.1519","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510407","17.053","0.006","11.363","0.004","18.518","0.006","90","","116.226","0.004","90","","3218.9","1.9","98","2","98","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H50 N4 O14 Zn2 -","- C56 H50 N4 O14 Zn2 -","- C112 H100 N8 O28 Zn4 -","2","0.5","","Alawisi, Hussah; Li, Bin; He, Yabing; Arman, Hadi D.; Asiri, Abdullah M.; Wang, Hailong; Chen, Banglin","A Microporous Metal‒Organic Framework Constructed from a New Tetracarboxylic Acid for Selective Gas Separation","Crystal Growth & Design","2014","14","5","2522","","10.1021/cg500235j","","","0.71073","MoKα","","0.1139","0.1088","","","0.3484","0.3606","","","","","","1.65","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510408","30.04","0.02","30.04","0.02","13.361","0.01","90","","90","","120","","10442","13","228","2","228","2","","","","","","","","7","P 6/m m m","-P 6 2","191","","","","- C54 H30 Cr3 N6 O28 S3 Zn3 -","- C54 H30 Cr3 N6 O28 S3 Zn3 -","- C108 H60 Cr6 N12 O56 S6 Zn6 -","2","0.0833333","","Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes","Crystal Growth & Design","2014","14","5","2115","","10.1021/cg500205f","","","1.54178","CuKα","","0.0895","0.0678","","","0.1814","0.1878","","","","","","1.009","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510409","30.242","0.004","30.242","0.004","13.406","0.003","90","","90","","120","","10618","3","228","2","228","2","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C60 H36 Cr3 N6 O28 Zn3 -","- C60 H36 Cr3 N6 O28 Zn3 -","- C120 H72 Cr6 N12 O56 Zn6 -","2","0.0833333","","Schoedel, Alexander; Jaquier, Michael; Boyette, Wesley; Wojtas, Lukasz; Eddaoudi, Mohamed; Zaworotko, Michael J.","4,6-ConnectedfsbTopology Networks Obtained through Two-Step Crystal Engineering of Decorated Trigonal Prismatic Nodes","Crystal Growth & Design","2014","14","5","2115","","10.1021/cg500205f","","","1.54178","CuKα","","0.0833","0.0666","","","0.1881","0.1956","","","","","","1.085","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510410","15.748","0.009","6.067","0.003","15.816","0.008","90","","104.771","0.016","90","","1461.2","1.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0607","0.0431","","","0.1082","0.1395","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510411","15.791","0.0011","6.0752","0.0004","15.8571","0.0011","90","","104.798","0.002","90","","1470.77","0.17","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","2","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0516","0.0379","","","0.1027","0.1299","","","","","","1.137","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510412","9.1696","0.0003","6.1","0.0002","14.0886","0.0006","90","","102.164","0.002","90","","770.35","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0525","0.0354","","","0.1055","0.1318","","","","","","0.869","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510413","9.0497","0.0004","6.0462","0.0003","13.8277","0.0006","90","","100.174","0.002","90","","744.7","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C32 H36 Br2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.035","0.028","","","0.0599","0.0853","","","","","","1.152","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510414","9.1044","0.0004","6.1014","0.0003","14.0785","0.0006","90","","102.464","0.001","90","","763.62","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C32 H36 Cl2 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0381","0.0344","","","0.0973","0.1092","","","","","","1.115","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510416","11.6182","0.001","6.0241","0.0005","11.6695","0.001","90","","106.132","0.002","90","","784.58","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0578","0.0397","","","0.1041","0.1398","","","","","","1.109","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510417","11.6215","0.001","6.0357","0.0005","11.674","0.001","90","","106.13","0.002","90","","786.62","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C34 H42 N2 O4 -","2","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0473","0.0348","","","0.0966","0.1393","","","","","","0.819","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510418","18.814","0.004","5.7401","0.0012","14.803","0.003","90","","91.957","0.005","90","","1597.7","0.6","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0702","0.0464","","","0.1367","0.1681","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510419","18.7783","0.0009","5.7284","0.0003","14.7747","0.0006","90","","91.946","0.005","90","","1588.39","0.13","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0915","0.0503","","","0.1566","0.1839","","","","","","1.102","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510420","18.7305","0.001","5.7286","0.0003","14.6009","0.0008","90","","91.488","0.003","90","","1566.14","0.15","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0622","0.0435","","","0.1298","0.162","","","","","","1.107","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510421","18.2329","0.0006","5.6931","0.0002","14.5435","0.0004","90","","92.219","0.001","90","","1508.51","0.08","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0287","0.0263","","","0.0721","0.0828","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510422","20.1479","0.0017","6.3269","0.0005","12.3797","0.001","90","","92.249","0.005","90","","1576.9","0.2","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0691","0.0433","","","0.1308","0.1636","","","","","","1.125","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510423","20.1528","0.0009","6.3263","0.0003","12.373","0.0005","90","","92.303","0.004","90","","1576.19","0.12","296","2","296","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H16 F N O2 -","- C16 H16 F N O2 -","- C64 H64 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0529","0.0438","","","0.1354","0.1619","","","","","","1.205","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510424","18.4839","0.0006","5.8648","0.0001","14.7362","0.0004","90","","94.277","0.003","90","","1593.02","0.07","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0405","0.037","","","0.103","0.1081","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510425","6.4736","0.0016","12.144","0.003","20.562","0.005","90","","90","","90","","1616.5","0.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1133","0.0715","","","0.1817","0.2186","","","","","","1.436","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510426","6.4741","0.0003","12.1369","0.0005","20.5318","0.0008","90","","90","","90","","1613.3","0.12","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Br N O2 -","- C16 H18 Br N O2 -","- C64 H72 Br4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1039","0.0767","","","0.2203","0.25","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510427","6.488","0.0003","12.0928","0.0006","20.1117","0.001","90","","90","","90","","1577.93","0.13","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0551","0.049","","","0.1455","0.16","","","","","","1.09","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510428","6.4865","0.0007","11.9271","0.0012","19.82","0.002","90","","90","","90","","1533.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 Cl N O2 -","- C16 H18 Cl N O2 -","- C64 H72 Cl4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0328","0.0281","","","0.0669","0.0764","","","","","","1.057","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510429","6.472","0.0005","12.2437","0.0008","19.4058","0.0014","90","","90","","90","","1537.74","0.19","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0847","0.0473","","","0.1368","0.1755","","","","","","1.091","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510430","6.5083","0.0002","12.0454","0.0003","18.8508","0.0005","90","","90","","90","","1477.81","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.048","0.0348","","","0.0997","0.1248","","","","","","0.917","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510431","5.7242","0.0003","12.161","0.0007","22.5922","0.0013","90","","90","","90","","1572.69","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0563","0.0388","","","0.1112","0.1385","","","","","","1.15","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510432","5.7217","0.0003","12.1561","0.0007","22.5944","0.0012","90","","90","","90","","1571.52","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0683","0.0419","","","0.1161","0.1472","","","","","","1.133","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510433","5.7484","0.0005","12.1833","0.001","22.8871","0.0018","90","","90","","90","","1602.9","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1235","0.0843","","","0.2584","0.3033","","","","","","1.048","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510434","5.7438","0.0003","12.1764","0.0007","22.8889","0.0012","90","","90","","90","","1600.82","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0579","0.0429","","","0.1257","0.1506","","","","","","1.139","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510435","5.9075","0.0011","12.565","0.002","20.215","0.004","90","","90","","90","","1500.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.1514","0.0561","","","0.1341","0.2061","","","","","","0.966","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510436","5.9102","0.0007","12.5547","0.0015","20.197","0.002","90","","90","","90","","1498.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O2 -","- C16 H18 F N O2 -","- C64 H72 F4 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0803","0.0473","","","0.1311","0.1691","","","","","","1.058","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510437","6.8857","0.0005","12.8536","0.0009","18.8943","0.0014","90","","90","","90","","1672.3","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0599","0.0447","","","0.1355","0.1623","","","","","","0.864","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510438","6.873","0.004","12.792","0.006","18.27","0.009","90","","90","","90","","1606.3","1.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 N2 O4 -","- C16 H18 N2 O4 -","- C64 H72 N8 O16 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0271","0.0262","","","0.0652","0.0672","","","","","","1.068","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510439","6.7277","0.0008","8.5988","0.001","27.314","0.003","90","","90","","90","","1580.1","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O2 -","- C17 H21 N O2 -","- C68 H84 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0751","0.0411","","","0.1132","0.146","","","","","","1.106","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510440","6.7196","0.0011","8.5932","0.0014","27.33","0.005","90","","90","","90","","1578.1","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0975","0.0657","","","0.1559","0.1952","","","","","","1.182","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510441","5.7057","0.0008","15.291","0.002","18.545","0.003","90","","90","","90","","1618","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H10 N2 O4 -","- C16 H10 N2 O3.66 -","- C64 H40 N8 O14.64 -","4","1","","Adalder, Tapas Kumar; Dastidar, Parthasarathi","Crystal Engineering Approach toward Selective Formation of an Asymmetric Supramolecular Synthon in Primary Ammonium Monocarboxylate (PAM) Salts and Their Gelation Studies","Crystal Growth & Design","2014","14","5","2254","","10.1021/cg401863s","","","0.71073","MoKα","","0.0969","0.0832","","","0.2168","0.2367","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510442","23.139","0.002","23.139","0.002","10.5768","0.0019","90","","90","","90","","5663","1.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1005","0.0785","","","0.1793","0.1906","","","","","","1.028","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510443","22.943","0.003","22.943","0.003","10.4944","0.0013","90","","90","","90","","5524.1","1.2","298","2","298","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C43 H58 Ag2 N16 O4 -","- C43 H58 Ag2 N16 O4 -","- C172 H232 Ag8 N64 O16 -","4","0.5","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1209","0.0878","","","0.2155","0.2276","","","","","","1.254","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510444","23.1175","0.0006","23.1175","0.0006","28.1024","0.0015","90","","90","","90","","15018.5","1","298","2","298","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C17 H23 Ag N6 O2 -","- C17 H23 Ag N6 O2 -","- C544 H736 Ag32 N192 O64 -","32","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0433","0.0307","","","0.0737","0.0816","","","","","","1.021","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510445","23.326","0.0006","32.24","0.002","9.8621","0.0014","90","","90","","90","","7416.6","1.2","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C30 H41 Ag2 N10 O4 -","- C30 H41 Ag2 N10 O4 -","- C240 H328 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.0605","0.0474","","","0.1154","0.126","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510446","22.712","0.005","34.599","0.008","9.858","0.002","90","","90","","90","","7747","3","298","2","298","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C31 H43 Ag2 N10 O4 -","- C31 H43 Ag2 N10 O4 -","- C248 H344 Ag16 N80 O32 -","8","","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1278","0.054","","","0.0945","0.1204","","","","","","0.969","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510447","30.817","0.006","10.354","0.002","34.565","0.007","90","","98.748","0.004","90","","10901","4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H71 Ag2 N14 O10 -","- C42 H71 Ag2 N14 O10 -","- C336 H568 Ag16 N112 O80 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1098","0.0534","","","0.0996","0.1232","","","","","","0.966","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510448","49.04","0.01","10.368","0.002","34.821","0.012","90","","134.615","0.003","90","","12603","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H68 Ag2 N16 O4 -","- C48 H68 Ag2 N16 O4 -","- C384 H544 Ag16 N128 O32 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1234","0.0743","","","0.1844","0.2001","","","","","","0.878","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510449","35.034","0.014","10.387","0.004","30.465","0.013","90","","113.813","0.007","90","","10142","7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H63 Ag2 N12 O7.5 -","- C39 H63 Ag2 N12 O7.5 -","- C312 H504 Ag16 N96 O60 -","8","1","","Han, Lu-Lu; Zhang, Xi-Ying; Chen, Jiang-Shan; Li, Zhong-Hui; Sun, Dao-Feng; Wang, Xing-Po; Sun, Di","Silver(I)/Bipyrazole/Dicarboxylate Interpenetrated Coordination Networks: Spontaneous Chiral Resolution, Modulation of Topologies, Water Clusters, and Photoluminescences","Crystal Growth & Design","2014","14","5","2230","","10.1021/cg401805x","","","0.71073","MoKα","","0.1222","0.0563","","","0.1321","0.1636","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510450","26.808","0.0014","8.1923","0.0005","23.3025","0.0016","90","","98.956","0.007","90","","5055.3","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.6 H23.4 N3.2 O6.2 Zn -","- C21 H15 N2 O5 Zn -","- C168 H120 N16 O40 Zn8 -","8","1","","Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel","Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis","Crystal Growth & Design","2014","14","5","2092","","10.1021/cg500033b","","","1.54187","CuKα","","0.1091","0.0916","","","0.2561","0.2877","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510451","12.546","0.004","26.633","0.007","15.734","0.006","90","","97.869","0.004","90","","5208","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H57.5 N8.5 O14.5 Zn2 -","- C40 H26 N4 O10 Zn2 -","- C160 H104 N16 O40 Zn8 -","4","1","","Masoomi, Mohammad Yaser; Stylianou, Kyriakos C.; Morsali, Ali; Retailleau, Pascal; Maspoch, Daniel","Selective CO2Capture in Metal‒Organic Frameworks with Azine-Functionalized Pores Generated by Mechanosynthesis","Crystal Growth & Design","2014","14","5","2092","","10.1021/cg500033b","","","0.71073","MoKα","","0.0917","0.0702","","","0.2074","0.2239","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510452","12.5452","0.0008","13.1706","0.0007","13.9635","0.0008","83.394","0.005","83.929","0.005","73.324","0.005","2189","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H50 N2 O8 S2 -","- C50 H50 N2 O8 S2 -","- C100 H100 N4 O16 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0931","0.0585","","","0.1256","0.1453","","","","","","1.035","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510453","8.9573","0.0006","9.1651","0.0014","20.0432","0.0018","86.677","0.01","86.805","0.006","63.623","0.01","1470.8","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 N O6 S -","- C30 H39 N O6 S -","- C60 H78 N2 O12 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1009","0.0663","","","0.1619","0.1883","","","","","","1.021","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510454","9.2905","0.0006","12.7229","0.0009","13.1196","0.0008","97.514","0.005","108.613","0.006","97.648","0.006","1431.59","0.18","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H37 N O5 S -","- C30 H37 N O5 S -","- C60 H74 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0933","0.0645","","","0.1525","0.1692","","","","","","1.02","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510455","10.4196","0.0007","12.7334","0.0009","13.6397","0.0009","98.219","0.005","107.747","0.006","109.026","0.006","1569.3","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H41 N O5 S -","- C32 H41 N O5 S -","- C64 H82 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1073","0.0669","","","0.1725","0.2041","","","","","","1.034","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510456","9.4949","0.0006","10.9884","0.0005","13.8529","0.0008","92.306","0.004","95.015","0.005","110.213","0.005","1347.28","0.14","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 N O4 S -","- C29 H33 N O4 S -","- C58 H66 N2 O8 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0939","0.0632","","","0.1592","0.1832","","","","","","1.004","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510457","10.8859","0.0006","14.7685","0.001","19.5931","0.001","69.419","0.005","87.083","0.004","77.81","0.005","2881.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 N2 O14 S2 -","- C60 H70 N2 O14 S2 -","- C120 H140 N4 O28 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1116","0.0692","","","0.1539","0.1803","","","","","","1.04","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510458","7.9064","0.0015","13.5759","0.0014","14.349","0.002","91.88","0.011","102.104","0.014","104.57","0.013","1451.5","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H35 N3 O5 S -","- C30 H35 N3 O5 S -","- C60 H70 N6 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.096","0.0575","","","0.1158","0.1365","","","","","","1.024","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510459","9.2022","0.0004","15.7709","0.0006","19.6994","0.0011","90","","98.936","0.004","90","","2824.2","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O5 S3 -","- C28 H33 N O5 S3 -","- C112 H132 N4 O20 S12 -","4","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.1002","0.069","","","0.1936","0.2158","","","","","","1.075","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510460","31.3213","0.0013","31.3213","0.0013","13.0094","0.0006","90","","90","","120","","11052.7","0.8","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H25 N O5 S -","- C24 H23 N O5 S -","- C432 H414 N18 O90 S18 -","18","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0913","0.0592","","","0.1393","0.1537","","","","","","1.019","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510461","8.8813","0.0007","10.3007","0.0007","13.0949","0.0011","108.557","0.007","94.862","0.006","97.117","0.006","1117.07","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O5 S -","- C24 H25 N O5 S -","- C48 H50 N2 O10 S2 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0604","0.0435","","","0.1075","0.1177","","","","","","1.046","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510462","11.5015","0.0007","16.4403","0.0007","19.6538","0.0009","96.2","0.004","91.847","0.004","109.329","0.005","3477.1","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H76 N4 O6 S2 -","- C86 H76 N4 O6 S2 -","- C172 H152 N8 O12 S4 -","2","1","","Li, Ya-Nan; Huo, Li-Hua; Deng, Zhao-Peng; Zou, Xin; Zhu, Zhi-Biao; Zhao, Hui; Gao, Shan","Solvent Effect on the Supramolecular Patterns and Luminescent Properties of Organic Salts Comprising Naphthalene-1,5-disulfonic Acid and Triphenylmethylamine","Crystal Growth & Design","2014","14","5","2381","","10.1021/cg5001057","","","0.71073","MoKα","","0.0971","0.0593","","","0.1377","0.159","","","","","","1.022","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510463","15.2339","0.0004","33.4083","0.001","14.3529","0.0004","90","","90","","90","","7304.7","0.4","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Dy5 K5 N10 O66 -","- C40 Dy5 K5 N10 O66 -","- C160 Dy20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0538","0.0444","","","0.0919","0.0966","","","","","","1.231","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510464","15.203","0.003","33.371","0.007","14.395","0.003","90","","90","","90","","7303","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 Ho5 K5 N10 O66 -","- C40 Ho5 K5 N10 O66 -","- C160 Ho20 K20 N40 O264 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0485","0.0316","","","0.0729","0.0814","","","","","","1.029","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510465","15.0646","0.0003","33.0834","0.0008","14.4068","0.0003","90","","90","","90","","7180.2","0.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H52 K5 N10 O66 Yb5 -","- C40 K5 N10 O66 Yb5 -","- C160 K20 N40 O264 Yb20 -","4","0.5","","Zhang, Fengming; Yan, Pengfei; Zou, Xiaoyan; Zhang, Juwen; Hou, Guangfeng; Li, Guangming","Novel 3D Alkali‒Lanthanide Heterometal‒Organic Frameworks with Pyrazine-2,3,5,6-tetracarboxylic Acid: Synthesis, Structure, and Magnetism","Crystal Growth & Design","2014","14","4","2014","","10.1021/cg5001254","","","0.71073","MoKα","","0.0565","0.0466","","","0.0894","0.0936","","","","","","1.165","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510466","23.15","0.02","10.354","0.01","29.282","0.01","90","","90","","90","","7019","9","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H19 N2 O3.5 -","- C18 H19 N2 O3.5 -","- C288 H304 N32 O56 -","16","2","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1908","0.0568","","","0.1316","0.1639","","","","","","0.923","","","","has coordinates","190287","2020-10-21","18:00:00",""
"4510467","23.793","0.011","9.123","0.002","10.925","0.004","90","","102.6","0.02","90","","2314.3","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 N2 O9 -","- C22 H24 N2 O9 -","- C88 H96 N8 O36 -","4","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0542","0.05","","","0.132","0.1347","","","","","","1.11","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510468","7.041","0.004","12.717","0.005","16.156","0.007","90","","104.25","0.03","90","","1402.1","1.2","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 N2 O3 -","- C12 H22 N2 O3 -","- C48 H88 N8 O12 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0814","0.0604","","","0.1673","0.1815","","","","","","1.123","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510469","6.019","0.004","7.217","0.003","26.878","0.013","90","","90","","90","","1167.6","1.1","293","2","293","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C12 H13 N O5 -","- C12 H13 N O5 -","- C48 H52 N4 O20 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0508","0.0487","","","0.1131","0.1154","","","","","","1.067","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510470","10.737","0.006","11.931","0.005","16.323","0.007","90","","119.13","0.03","90","","1826.5","1.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N4 O7 -","- C16 H24 N4 O7 -","- C64 H96 N16 O28 -","4","1","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.1469","0.0532","","","0.1108","0.1345","","","","","","0.865","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510471","18.512","0.011","7.339","0.003","16.768","0.008","90","","102.9","","90","","2220.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H34 N4 O11 -","- C18 H34 N4 O11 -","- C72 H136 N16 O44 -","4","0.5","","Prohens, Rafel; Portell, Anna; Font-Bardia, Mercè; Bauzá, Antonio; Frontera, Antonio","Experimental and Theoretical Study of Aromaticity Effects in the Solid State Architecture on Squaric Acid Derivatives","Crystal Growth & Design","2014","14","5","2578","","10.1021/cg500264k","","","0.71073","MoKα","","0.0487","0.0444","","","0.1146","0.1184","","","","","","1.104","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510472","14.63","0.003","20.316","0.004","19.24","0.004","90","","110.17","0.03","90","","5368","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 Cu N8 O8 S4 -","- C54 H52 Cu N8 O8 S4 -","- C216 H208 Cu4 N32 O32 S16 -","4","0.5","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1154","0.0523","","","0.1176","0.1345","","","","","","0.881","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510473","12.2467","0.0014","12.6654","0.0014","20.006","0.002","100.451","0.002","98.868","0.002","114.245","0.002","2690.5","0.5","571","2","571","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 N8 Ni O8 S4 -","- C54 H47 N8 Ni O8 S4 -","- C108 H94 N16 Ni2 O16 S8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1995","0.0637","","","0.1132","0.15","","","","","","0.849","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4510474","12.2674","0.0009","12.6097","0.0009","20.1508","0.0014","100.108","0.001","99.267","0.001","114.157","0.001","2704.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H52 N8 O8 Pd S4 -","- C54 H47 N8 O8 Pd S4 -","- C108 H94 N16 O16 Pd2 S8 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1265","0.0521","","","0.0979","0.118","","","","","","0.825","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4510475","6.9946","0.0005","26.3116","0.0019","14.0147","0.001","90","","97.455","0.001","90","","2557.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H52 N8 O8 Pt S4 -","- C54 H52 N8 O8 Pt S4 -","- C108 H104 N16 O16 Pt2 S8 -","2","0.5","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.0304","0.0276","","","0.0677","0.0689","","","","","","1.136","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510476","12.2553","0.0007","13.983","0.0008","19.4427","0.0011","96.987","0.001","91.863","0.001","114.797","0.001","2989.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H52 N4 O8 S10 Zn -","- C52 H50 N4 O8 S10 Zn -","- C104 H100 N8 O16 S20 Zn2 -","2","1","","Madhu, Vedichi; Das, Samar K.","Diverse Supramolecular Architectures Having Well-Defined Void Spaces Formed from a Pseudorotaxane Cation: Influential Role of Metal Dithiolate Coordination Complex Anions","Crystal Growth & Design","2014","14","5","2343","","10.1021/cg500039y","","","0.71073","MoKα","","0.1469","0.0689","","","0.1773","0.2064","","","","","","0.88","","","","has coordinates","271475","2021-12-16","11:44:44",""
"4510482","12.2184","0.0012","11.6715","0.0009","18.5188","0.0017","90","","94.867","0.008","90","","2631.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Blonanserinium nicotinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Pyridine-3-carboxylic acid","","- C29 H35 F N4 O2 -","- C29 H35 F N4 O2 -","- C116 H140 F4 N16 O8 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.1672","0.0623","","","0.1008","0.1246","","","","","","0.872","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510483","6.7308","0.0008","10.5808","0.0013","34.376","0.004","90","","91.931","0.002","90","","2446.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Blonanserinium mesylate monohydrate","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Methanesulfonic acid-monohydrate","","- C24 H36 F N3 O4 S -","- C24 H36 F N3 O4 S -","- C96 H144 F4 N12 O16 S4 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0522","0.0423","","","0.097","0.1015","","","","","","1.044","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510484","12.6945","0.0009","13.7444","0.0009","14.4954","0.001","98.502","0.001","98.841","0.001","105.949","0.001","2354.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Blonanserinium mesylate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-Methanesulfonic acid","","- C24 H34 F N3 O3 S -","- C24 H34 F N3 O3 S -","- C96 H136 F4 N12 O12 S4 -","4","2","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0534","0.0464","","","0.1121","0.1171","","","","","","1.041","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510485","8.9999","0.0009","13.0762","0.0013","21.704","0.002","90","","90","","90","","2554.2","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Blonanserinium succinate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,4-Butanedioic acid","","- C27 H36 F N3 O4 -","- C27 H36 F N3 O4 -","- C108 H144 F4 N12 O16 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0367","0.0339","","","0.0762","0.0774","","","","","","1.032","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510486","6.3176","0.0009","36.767","0.005","11.658","0.0017","90","","99.549","0.002","90","","2670.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Blonanserinium tosylate salt","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-4-Methylbenzenesulfonic acid","","- C30 H38 F N3 O3 S -","- C30 H38 F N3 O3 S -","- C120 H152 F4 N12 O12 S4 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.064","0.06","","","0.1345","0.1368","","","","","","1.158","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510487","13.655","0.012","11.54","0.01","15.669","0.014","90","","103.515","0.013","90","","2401","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Blonanserin-suberic acid cocrystal","(2-(4-ethyl-l-piperazinyl)-4-(4-fluorophenyl)-5, 6, 7, 8, 9, 10-hexahydrocycloocta[ b]-pyridine)-1,8-Octanedioic acid","","- C27 H37 F N3 O2 -","- C27 H37 F N3 O2 -","- C108 H148 F4 N12 O8 -","4","1","","Maddileti, D.; Swapna, Battini; Nangia, Ashwini","High Solubility Crystalline Pharmaceutical Forms of Blonanserin","Crystal Growth & Design","2014","14","5","2557","","10.1021/cg500252c","","","0.71073","MoKα","","0.0634","0.043","","","0.096","0.1028","","","","","","0.988","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510488","6.592","0.0017","11.118","0.003","12.589","0.003","90","","118.869","0.011","90","","808","0.4","190","","190","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","1","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510489","6.8884","0.0018","10.83","0.003","10.658","0.003","90","","90","","90","","795.1","0.4","190","","190","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- C10 H14 O -","- C10 H14 O -","- C40 H56 O4 -","4","0.5","","Negrier, P.; Barrio, M.; Romanini, M.; Tamarit, J. Ll.; Mondieig, D.; Krivchikov, A. I.; Kepinski, L.; Jezowski, A.; Szewczyk, D.","Polymorphism of 2-Adamantanone","Crystal Growth & Design","2014","14","5","2626","","10.1021/cg500313m","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510490","10.473","0.0017","14.66","0.002","15.205","0.003","104.618","0.006","98.828","0.006","99.501","0.006","2180.9","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H40 Cu2 N7 O16 Tb -","- C35 H38 Cu2 N7 O16 Tb -","- C70 H76 Cu4 N14 O32 Tb2 -","2","1","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0582","0.0495","","","0.139","0.1507","","","","","","1.069","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510491","10.601","0.005","14.724","0.005","16.269","0.005","77.979","0.005","85.861","0.005","82.682","0.005","2460.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H92 Cu4 N16 O34 Tb2 -","- C80 H84 Cu4 N16 O34 Tb2 -","- C80 H84 Cu4 N16 O34 Tb2 -","1","0.5","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0817","0.0694","","","0.1884","0.2095","","","","","","1.062","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510492","15.369","0.01","25.744","0.017","15.842","0.015","90","","112.697","0.007","90","","5783","8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cu2 N9 O16 Tb -","- C45 H44 Cu2 N9 O16 Tb -","- C180 H176 Cu8 N36 O64 Tb4 -","4","0.5","","Ghosh, Soumavo; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","Linker Stoichiometry-Controlled Stepwise Supramolecular Growth of a Flexible Cu2Tb Single Molecule Magnet from Monomer to Dimer to One-Dimensional Chain","Crystal Growth & Design","2014","14","5","2588","","10.1021/cg500290m","","","0.71073","MoKα","","0.0974","0.0698","","","0.2025","0.234","","","","","","1.065","","","","has coordinates,has disorder","179651","2020-10-21","18:00:00",""
"4510493","7.845","0.0009","12.8786","0.0015","13.0629","0.0016","64.44","0.003","88.745","0.004","81.227","0.004","1175.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H54 Cl4 Cu2 N14 O8 -","- C40 H54 Cl4 Cu2 N14 O8 -","- C40 H54 Cl4 Cu2 N14 O8 -","1","0.5","","Bhattacharya, Sudeshna; Sengupta, Satirtha; Bala, Sukhen; Goswami, Arijit; Ganguly, Sumi; Mondal, Raju","Pyrazole-Based Metallogels Showing an Unprecedented Colorimetric Ammonia Gas Sensing through Gel-to-Gel Transformation with a Rare Event of Time-Dependent Morphology Transformation","Crystal Growth & Design","2014","14","5","2366","","10.1021/cg5000827","","","0.71073","MoKα","","0.0639","0.0405","","","0.0833","0.0921","","","","","","1.051","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510494","6.1351","0.0006","6.3115","0.0006","9.1906","0.0009","95.537","0.002","96.302","0.002","116.231","0.002","313.07","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0347","0.0314","","","0.08","0.082","","","","","","1.104","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510495","6.1285","0.0004","7.7676","0.0005","8.0964","0.0006","115.7","0.001","101.316","0.001","103.008","0.001","318.87","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","- C8 H14 Na2 O12 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0294","0.0279","","","0.0754","0.0767","","","","","","1.069","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510496","6.2679","0.0005","15.3935","0.0011","6.3897","0.0005","90","","105.5","0.001","90","","594.09","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 K2 O10 -","- C8 H10 K2 O10 -","- C16 H20 K4 O20 -","2","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0274","0.026","","","0.0652","0.0664","","","","","","1.075","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510497","6.419","0.0005","7.9361","0.0006","8.911","0.0007","103.757","0.001","104.137","0.001","106.945","0.001","397.04","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H16 Ba2 O14 -","- C8 H16 Ba2 O14 -","- C8 H16 Ba2 O14 -","1","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0157","0.0156","","","0.043","0.0431","","","","","","1.08","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510498","18.1275","0.0012","13.5852","0.0009","9.9982","0.0007","90","","120.526","0.001","90","","2120.9","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Na3 O19 -","- C16 H19 Na3 O19 -","- C64 H76 Na12 O76 -","4","0.5","","Chanthapally, Anjana; Quah, Hong Sheng; Vittal, Jagadese J.","Solid-State Reactivity of Supramolecular Isomers: A Study of thes-Block Coordination Polymers","Crystal Growth & Design","2014","14","5","2605","","10.1021/cg500307q","","","0.71073","MoKα","","0.0412","0.0384","","","0.0975","0.0993","","","","","","1.122","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510499","8.1312","0.0002","25.5646","0.0011","8.135","0.0004","90","","117.704","0.002","90","","1497.17","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O18 U -","- C24 H38 O18 U -","- C48 H76 O36 U2 -","2","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0449","0.0316","","","0.0739","0.0786","","","","","","1.055","","","","has coordinates","179651","2020-10-21","18:00:00",""
"4510500","20.6245","0.0007","16.1559","0.0003","16.2561","0.0006","90","","90","","90","","5416.7","0.3","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H27 N2 O8.75 U -","- C23 H27 N2 O8.75 U -","- C184 H216 N16 O70 U8 -","8","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.048","0.0319","","","0.0818","0.0874","","","","","","0.994","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510501","12.3287","0.0011","23.6161","0.0013","16.4473","0.0015","90","","105.034","0.004","90","","4624.8","0.6","150","2","150","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C34 H72 O29 U3 -","- C26 H39 O21 U3 -","- C104 H156 O84 U12 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0853","0.0716","","","0.2115","0.2189","","","","","","1.055","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510502","25.5369","0.0015","7.9206","0.0005","16.843","0.0006","90","","113.677","0.003","90","","3120","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 O16 Tb U -","- C24 H35 O16 Tb U -","- C96 H140 O64 Tb4 U4 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0348","0.0285","","","0.0764","0.0784","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510503","25.4173","0.0009","15.8195","0.0003","28.8395","0.001","90","","110.241","0.0017","90","","10879.9","0.6","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C72 H106 O59 U8 -","- C72 H90 O59 U8 -","- C288 H360 O236 U32 -","4","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0794","0.0458","","","0.1048","0.1134","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510504","19.2648","0.0004","14.8909","0.0002","20.418","0.0004","90","","94.5172","0.0011","90","","5839.12","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C72 H110 O61 U8 -","- C72 H102 O61 U8 -","- C144 H204 O122 U16 -","2","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0441","0.033","","","0.089","0.0918","","","","","","1.135","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510505","16.5835","0.0005","20.1557","0.0007","21.1177","0.0004","88.6196","0.0018","87.0438","0.0018","79.7935","0.0015","6936.9","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C202 H302 Cu2 N4 O133 U16 -","- C202 H292 Cu2 N4 O133 U16 -","- C202 H292 Cu2 N4 O133 U16 -","1","0.5","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0615","0.0378","","","0.0854","0.0913","","","","","","1.008","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510506","24.227","0.0009","24.227","0.0009","15.9191","0.0004","90","","90","","90","","9343.7","0.5","150","2","150","2","","","","","","","","5","I 4","I 4","79","","","","- C96 H170 Cu4 O89 U8 -","- C96 H120 Cu4 O89 U8 -","- C192 H240 Cu8 O178 U16 -","2","0.25","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0429","0.0394","","","0.1035","0.1056","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510507","17.7344","0.0007","19.4751","0.0005","27.1156","0.0011","83.831","0.003","87.186","0.002","82.214","0.002","9219.4","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H166 Cu6 O89 U10 -","- C120 H150 Cu6 O89 U10 -","- C240 H300 Cu12 O178 U20 -","2","1","","Thuéry, Pierre","Increasing Complexity in the Uranyl Ion‒Kemp’s Triacid System: From One- and Two-Dimensional Polymers to Uranyl‒Copper(II) Dodeca- and Hexadecanuclear Species","Crystal Growth & Design","2014","14","5","2665","","10.1021/cg500353k","","","0.71073","MoKα","","0.0868","0.061","","","0.1742","0.1865","","","","","","1.015","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510508","11.1939","0.0013","11.8157","0.0016","12.0646","0.0017","110.959","0.013","106.648","0.011","104.205","0.011","1315.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N6 O4 S5 -","- C22 H24 N6 O4 S5 -","- C44 H48 N12 O8 S10 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0927","0.0601","","","0.1091","0.1279","","","","","","1.019","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510509","7.5147","0.0005","9.0185","0.0008","12.1146","0.0007","90.801","0.006","98.642","0.005","109.424","0.007","763.7","0.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H14 Cl N3 O5 S2 -","- C11 H14 Cl N3 O5 S2 -","- C22 H28 Cl2 N6 O10 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0792","0.0535","","","0.0998","0.1168","","","","","","1.01","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510510","14.6126","0.0004","7.3778","0.0002","15.9027","0.0004","90","","95.712","0.002","90","","1705.94","0.08","296","2","296","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C11 H16 Cl N3 O6 S2 -","- C11 H16 Cl N3 O6 S2 -","- C44 H64 Cl4 N12 O24 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0527","0.0418","","","0.0698","0.0747","","","","","","1.068","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510511","23.7103","0.0011","4.45641","0.00017","25.3321","0.0007","90","","95.947","0.003","90","","2662.26","0.18","296","2","296","2","","","","","","","","5","I 1 2/c 1","-I 2yc","15","","","","- C11 H12 Br N3 S2 -","- C11 H12 Br N3 S2 -","- C88 H96 Br8 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.054","0.0358","","","0.0733","0.0832","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510512","8.941","0.003","10.074","0.003","13.822","0.004","92.594","0.018","95.21","0.02","105.985","0.017","1188.7","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C44 H44 N12 S8 -","4","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0822","0.048","","","0.1026","0.1116","","","","","","1.087","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510513","11.681","0.0019","8.5182","0.0019","30.608","0.006","90","","100.777","0.013","90","","2991.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N3 O4 P S2 -","- C11 H14 N3 O4 P S2 -","- C88 H112 N24 O32 P8 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0812","0.0469","","","0.0764","0.0823","","","","","","1.012","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510514","10.551","0.003","10.6973","0.0019","13.648","0.003","108.804","0.009","96.519","0.011","91.481","0.008","1445.6","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 N4 O3.5 S2 -","- C11 H13 N4 O3.5 S2 -","- C44 H52 N16 O14 S8 -","4","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0763","0.0459","","","0.071","0.0789","","","","","","1.053","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510515","7.0435","0.0005","9.4168","0.0009","12.3566","0.001","85.815","0.007","88.897","0.007","71.023","0.008","772.96","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 N3 O5 S3 -","- C11 H15 N3 O5 S3 -","- C22 H30 N6 O10 S6 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0798","0.0604","","","0.1185","0.1327","","","","","","1.024","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510516","5.7601","0.0007","8.871","0.001","12.097","0.0014","103.779","0.006","96.286","0.006","95.705","0.006","591.67","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C22 H22 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.103","0.0513","","","0.1006","0.1176","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510517","19.502","0.003","6.1168","0.0007","23.967","0.003","90","","105.989","0.016","90","","2748.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O3 S2 -","- C11 H12 N4 O3 S2 -","- C88 H96 N32 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.164","0.0859","","","0.1294","0.1528","","","","","","1.213","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510518","11.3183","0.0004","5.7063","0.0002","20.5287","0.0006","90","","113.537","0.002","90","","1215.55","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C44 H44 N12 S8 -","4","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0439","0.0371","","","0.102","0.1066","","","","","","1.08","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510519","9.64","0.0006","15.4273","0.0009","19.176","0.0011","73.592","0.005","86.432","0.005","89.798","0.005","2730.1","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 S2 -","- C11 H12 Cl N3 S2 -","- C88 H96 Cl8 N24 S16 -","8","4","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0712","0.0451","","","0.0734","0.0867","","","","","","0.995","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510520","8.6544","0.0009","9.2851","0.0009","10.0278","0.0012","65.682","0.005","75.992","0.005","64.045","0.004","658.36","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Cl N3 S2 -","- C11 H12 Cl N3 S2 -","- C22 H24 Cl2 N6 S4 -","2","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.0405","0.033","","","0.0683","0.073","","","","","","1.079","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510521","14.3819","0.001","7.2911","0.0004","31.79","0.002","90","","94.778","0.006","90","","3321.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Br N3 O3 S2 -","- C11 H18 Br N3 O3 S2 -","- C88 H144 Br8 N24 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.1564","0.0587","","","0.071","0.0974","","","","","","0.959","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510522","16.8654","0.001","6.1269","0.0003","24.5611","0.0014","90","","108.596","0.007","90","","2405.5","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 N3 S2 -","- C11 H11 N3 S2 -","- C88 H88 N24 S16 -","8","1","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.061","0.0375","","","0.0729","0.0796","","","","","","1.04","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510523","11.2755","0.0008","18.3129","0.0014","14.0015","0.001","90","","103.005","0.004","90","","2817","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N4 O3 S2 -","- C11 H12 N4 O3 S2 -","- C88 H96 N32 O24 S16 -","8","2","","Phukan, Nithi; Baruah, Jubaraj B.","Polymorphs of 1-(5-Methylthiazol-2-yl)-3-phenylthiourea and Various Anion-Assisted Assemblies of Two Positional Isomers","Crystal Growth & Design","2014","14","5","2640","","10.1021/cg5003379","","","0.71073","MoKα","","0.1479","0.0557","","","0.0676","0.0873","","","","","","0.986","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510524","9.579","0.0012","9.579","0.0012","12.11","0.002","90","","90","","90","","1111.2","0.3","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C9 H13 N O3 S Zn -","- C9 H13 N O3 S Zn -","- C36 H52 N4 O12 S4 Zn4 -","4","1","","Yao, Jia; Mo, Yong-Hui; Chen, Jia-Mei; Lu, Tong-Bu","New Approach to Reduce the Overhigh Plasma Concentration of Captopril by the Formation of Zinc Coordination Polymer","Crystal Growth & Design","2014","14","5","2599","","10.1021/cg500302h","","","1.54184","CuKα","","0.0691","0.0613","","","0.1511","0.1589","","","","","","1.017","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510525","5.2569","0.0003","9.7336","0.0008","26.8467","0.0016","90","","90","","90","","1373.71","0.16","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- Cs2 Mo3 O12 Th -","- Cs2 Mo3 O12 Th -","- Cs8 Mo12 O48 Th4 -","4","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0949","0.0536","","","0.1072","0.1298","","","","","","1.104","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510526","12.6902","0.0006","6.6202","0.0003","11.4593","0.0007","90","","90.146","0.006","90","","962.71","0.09","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cs4 Mo4 O16 Th -","- Cs4 Mo4 O16 Th -","- Cs8 Mo8 O32 Th2 -","2","0.5","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0473","0.0321","","","0.0627","0.0688","","","","","","1.063","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510527","12.4439","0.0005","14.9301","0.0008","15.9617","0.0009","78.21","0.005","78.697","0.004","77.997","0.004","2802.7","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","- Cs8 Mo28 O112 Th12 -","1","1","","Xiao, Bin; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V.; Alekseev, Evgeny V.","Unexpected Structural Complexity in Cesium Thorium Molybdates","Crystal Growth & Design","2014","14","5","2677","","10.1021/cg500418e","","","0.71073","MoKα","","0.0284","0.0243","","","0.0458","0.0473","","","","","","0.949","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510528","7.6428","0.0004","6.1654","0.0003","29.1997","0.0016","90","","91.079","0.002","90","","1375.67","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1-Pentafluorophenyl-5-phenyl-penta-1,4-dien-3-one","1-Pentafluorophenyl-5-phenyl-penta-1,4-dien-3-one","","- C17 H9 F5 O -","- C17 H9 F5 O -","- C68 H36 F20 O4 -","4","1","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.055","0.0428","","","0.1086","0.1175","","","","","","1.058","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510529","5.6259","0.0008","24.346","0.004","21.186","0.003","90","","90.348","0.005","90","","2901.8","0.8","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one","","- C17 H4 F10 O -","- C17 H4 F10 O -","- C136 H32 F80 O8 -","8","2","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.0659","0.0472","","","0.1225","0.135","","","","","","1.113","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510530","7.4146","0.0012","11.1034","0.0017","17.304","0.003","86.917","0.008","79.945","0.007","74.085","0.008","1348.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one","1,5-Bis(2,3,4,5,6-pentafluorophenyl)penta-1,4-dien-3-one 1,5-Diphenyl-penta-1,4-dien-3-one","","- C34 H18 F10 O2 -","- C34 H18 F10 O2 -","- C68 H36 F20 O4 -","2","1","","Schwarzer, Anke; Weber, Edwin","Penta- and Decafluorinated Dibenzalacetones: Synthesis, Crystal Structure, and Cocrystallization Experiments","Crystal Growth & Design","2014","14","5","2335","","10.1021/cg5000342","","","0.71073","MoKα","","0.1119","0.0701","","","0.1689","0.1926","","","","","","1.082","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510531","6.084","0.0001","10.2978","0.0003","16.1737","0.0005","100.93","0.001","92.6382","0.001","95.9415","0.0015","987.35","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Droperidol ethanol solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C46 H50 F2 N6 O5 -","- C46 H50 F2 N6 O5 -","- C46 H50 F2 N6 O5 -","1","0.5","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0794","0.0511","","","0.1228","0.1381","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510532","6.087","0.0002","10.2177","0.0003","16.2642","0.0006","101.205","0.0011","92.7447","0.001","96.7569","0.0019","982.78","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol acetonitrile solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C23 H23.5 F N3.5 O2 -","- C23 H23.5 F N3.5 O2 -","- C46 H47 F2 N7 O4 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0915","0.0526","","","0.11","0.1285","","","","","","1.012","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510533","6.0504","0.0005","10.2207","0.0008","16.11","0.0014","101.397","0.002","93.445","0.003","97.022","0.002","965.62","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol methanol hemisolvate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one methanol hemisolvate","","- C22.5 H24 F N3 O2.5 -","- C22.5 H24 F N3 O2.5 -","- C45 H48 F2 N6 O5 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0993","0.0534","","","0.1237","0.1512","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510534","6.3199","0.0004","10.1525","0.0007","15.7463","0.0011","102.691","0.002","91.775","0.002","100.403","0.002","966.81","0.11","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol monohydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one monohydrate","","- C22 H24 F N3 O3 -","- C22 H24 F N3 O3 -","- C44 H48 F2 N6 O6 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0852","0.06","","","0.1539","0.1721","","","","","","1.073","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510535","6.2743","0.0003","10.156","0.0006","15.7786","0.0009","102.253","0.002","92.501","0.002","99.46","0.002","965.95","0.09","120","","120","","","","","","","","","5","P -1","-P 1","2","droperidol hemihydrate","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one hemihydrate","","- C22 H23 F N3 O2.5 -","- C22 H23 F N3 O2.5 -","- C44 H46 F2 N6 O5 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0916","0.0556","","","0.1361","0.1635","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510536","6.0673","0.0001","10.1884","0.0003","16.4237","0.0005","99.8303","0.0013","92.288","0.0012","95.6243","0.0018","993.86","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","Droperidol nitromethane solvate","1-[1-[4-(4-Fluorophenyl)-4-oxobutyl]-1,2,3,6-tetrahydro-4-pyridyl] -1,3-dihydro-2H-benzimidazol-2-one","","- C22.5 H23.5 F N3.5 O3 -","- C22.5 H23.5 F N3.5 O3 -","- C45 H47 F2 N7 O6 -","2","2","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","","0.71069","MoKα","","0.0911","0.0546","","","0.1165","0.1346","","","","","","1.023","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510537","6.278","0.0003","10.0865","0.0004","16.3969","0.0007","103.098","0.001","92.855","0.001","99.419","0.001","993.57","0.08","333","1","333","","","","","","","","","5","P -1","-P 1","2","droperidol","1-{1-[4-(4-fluorophenyl)-4-oxobutyl]-1,2,5,6-tetrahydropyridin-4-yl] -1,3-dihydro-2H-benzimidazol}-2-one","","- C22 H22 F N3 O2 -","- C22 H22 F N3 O2 -","- C44 H44 F2 N6 O4 -","2","1","","Be̅rziņš, Agris; Skarbulis, Edgards; Rekis, Toms; Actiņš, Andris","On the Formation of Droperidol Solvates: Characterization of Structure and Properties","Crystal Growth & Design","2014","14","5","2654","","10.1021/cg5003447","","x-ray","0.71073","MoKα","","0.0955","0.0486","","","0.1209","0.1558","","","","","","1.02","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510538","26.0229","0.0003","26.0229","0.0003","11.2044","0.0002","90","","90","","120","","6570.99","0.16","90","","90","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C234 H252 Cl18 N54 O54 -","18","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0287","0.0287","","","0.0314","0.0314","","","","","","1.562","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510539","6.4717","0.0005","7.9214","0.0007","8.6745","0.0007","72.412","0.008","86.116","0.007","69.625","0.008","397.04","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C14 H18 N6 O4 -","2","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0265","0.0265","","","0.0281","0.0281","","","","","","1.221","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510540","15.191","0.001","6.8256","0.0005","12.2154","0.0009","90","","98.478","0.006","90","","1252.75","0.16","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C52 H56 N16 O8 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0296","0.0296","","","0.0336","0.0336","","","","","","1.565","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510541","7.018","0.0002","11.8624","0.0004","31.332","0.001","90","","90","","90","","2608.4","0.14","90","","90","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Cl N3 O2 -","- C13 H12 Cl N3 O2 -","- C104 H96 Cl8 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0317","0.0317","","","0.0384","0.0384","","","","","","1.828","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510542","5.3682","0.0002","8.0654","0.0002","18.5394","0.0005","90","","92.938","0.003","90","","801.64","0.04","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0276","0.0276","","","0.03","0.03","","","","","","1.573","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510543","12.497","0.004","5.8221","0.0009","16.191","0.002","90","","99.42","0.02","90","","1162.2","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N4 O -","- C13 H12 N4 O -","- C52 H48 N16 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0469","0.0469","","","0.0523","0.0523","","","","","","1.814","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510544","6.978","0.001","11.921","0.002","29.198","0.006","90","","90","","90","","2428.8","0.7","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C104 H104 N24 O16 -","8","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","MoKα","","0.0248","0.0248","","","0.0305","0.0305","","","","","","1.36","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510545","9.5229","0.0009","4.6958","0.0005","16.17","0.002","90","","95.509","0.009","90","","719.74","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N3 O -","- C7 H7 N3 O -","- C28 H28 N12 O4 -","4","1","","Mazur, Liliana; Jarzembska, Katarzyna N.; Kamiński, Radosław; Woźniak, Krzysztof; Pindelska, Edyta; Zielińska-Pisklak, Monika","Substituent and Solvent Effects on Intermolecular Interactions in Crystals ofN-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies","Crystal Growth & Design","2014","14","5","2263","","10.1021/cg401866x","","","0.71073","Mo-Kα","","0.0314","0.0314","","","0.036","0.036","","","","","","1.574","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510546","7.3941","0.0015","15.28","0.003","23.345","0.005","90","","106.3","0.03","90","","2531.5","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cl0 Mn3 N32 O4 W2 -","- C40 H24 Mn3 N32 O4 W2 -","- C80 H48 Mn6 N64 O8 W4 -","2","0.5","","Qian, Jun; Hu, Jingchun; Yoshikawa, Hirofumi; Zhang, Jinfang; Awaga, Kunio; Zhang, Chi","A Three-Dimensional Hetero-Bimetallic Coordination Polymer with Unusual (4,5)-Connected Topology and Ferrimagnetic Property Based on Octacyanotungstate and Polydentate Ligand","Crystal Growth & Design","2014","14","5","2288","","10.1021/cg4019053","","","0.71073","MoKα","","0.0486","0.0434","","","0.0882","0.0907","","","","","","1.16","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510547","13.637","0.002","14.171","0.002","17.781","0.003","91.749","0.003","93.012","0.002","111.296","0.002","3192.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 Cl8 Hg2 N4 S10 -","- C50 H58 Cl4 Hg2 N4 S10 -","- C100 H116 Cl8 Hg4 N8 S20 -","2","1","","Guzmán-Percástegui, Edmundo; Zakharov, Lev N.; Alvarado-Rodríguez, José G.; Carnes, Matthew E.; Johnson, Darren W.","Synthesis of a Self-Assembled Hg(II)-Dithiocarbamate Metallomacrocycle","Crystal Growth & Design","2014","14","5","2087","","10.1021/cg401894h","","","0.71073","MoKα","","0.0752","0.0497","","","0.1074","0.1165","","","","","","0.993","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510548","20.2423","0.0035","11.6","0.0017","3.50909","0.00067","90","","104.707","0.02","90","","797","0.2","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Agnpz","Trimeric silver(I) 4-nitropyrazolate","","- C9 H6 Ag3 N9 O6 -","- C9 H6 Ag3 N9 O6 -","- C18 H12 Ag6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","14.9","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510549","19.8406","0.0049","11.4434","0.0018","3.53756","0.00099","90","","104.545","0.029","90","","777.4","0.3","298","","298","","","","","","","","","5","C 1 2 1","C 2y","5","Cunpz","Trimeric copper(I) 4-nitropyrazolate","","- C9 H6 Cu3 N9 O6 -","- C9 H6 Cu3 N9 O6 -","- C18 H12 Cu6 N18 O12 -","2","0.5","","Bertolotti, Federica; Maspero, Angelo; Cervellino, Antonio; Guagliardi, Antonietta; Masciocchi, Norberto","Bending by Faulting: A Multiple Scale Study of Copper and Silver Nitropyrazolates","Crystal Growth & Design","2014","14","6","2913","","10.1021/cg500108g","powder diffraction","","0.775276","synchrotron","","","","","","","","","","","","","","","","","has coordinates","209041","2020-10-21","18:00:00",""
"4510550","10.5804","0.0012","15.7399","0.0018","9.0114","0.0011","90","","97.649","0.011","90","","1487.4","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","1","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.067","0.0416","","","0.1021","0.1104","","","","","","1.042","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510551","14.5908","0.0006","9.3764","0.0004","10.3283","0.0003","90","","90","","90","","1413.01","0.09","295","2","295","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.0502","0.0368","","","0.0855","0.091","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510552","9.4272","0.0014","10.389","0.0015","14.37","0.003","90","","102.477","0.002","90","","1374.1","0.4","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,5-bis(salicylidene)carbohydrazide","","- C15 H14 N4 O3 -","- C15 H14 N4 O3 -","- C60 H56 N16 O12 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.1692","0.0738","","","0.1438","0.176","","","","","","0.862","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510553","4.5443","0.0005","12.2026","0.0015","27.359","0.004","90","","90","","90","","1517.1","0.3","295","2","295","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","1,5-bis(salicylidene)carbohydrazide monohydrate","","- C15 H16 N4 O4 -","- C15 H16 N4 O4 -","- C60 H64 N16 O16 -","4","0.5","","Rubčić, Mirta; Galić, Nives; Halasz, Ivan; Jednačak, Tomislav; Judaš, Nenad; Plavec, Janez; Šket, Primož; Novak, Predrag","Multiple Solid Forms of 1,5-Bis(salicylidene)carbohydrazide: Polymorph-Modulated Thermal Reactivity","Crystal Growth & Design","2014","14","6","2900","","10.1021/cg500203k","","","0.71073","MoKα","","0.091","0.0514","","","0.1136","0.1292","","","","","","1.081","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510554","13.933","0.003","18.143","0.004","17.787","0.004","90","","103.01","0.03","90","","4380.9","1.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cd3 O18 -","- C42 H22 Cd3 O18 -","- C168 H88 Cd12 O72 -","4","1","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.1003","0.085","","","0.1782","0.1888","","","","","","1.143","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510555","13.968","0.003","14.611","0.003","20.566","0.004","75.25","0.03","85.51","0.03","69","0.03","3788.9","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H57 Cd3 N4 O16.5 -","- C64 H48 Cd3 N4 O16 -","- C128 H96 Cd6 N8 O32 -","2","1","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.109","0.0692","","","0.1765","0.201","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510556","12.072","0.002","14.124","0.003","14.338","0.003","104.16","0.03","104.51","0.03","114.4","0.03","1980.2","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H61 Cd3 N6 O17.5 S2 -","- C74 H42 Cd3 N6 O16.5 S2 -","- C74 H42 Cd3 N6 O16.5 S2 -","1","0.5","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.0701","0.0622","","","0.1905","0.1994","","","","","","1.054","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510557","9.3011","0.0019","13.991","0.003","19.562","0.004","95.54","0.03","99.9","0.03","103.17","0.03","2417.2","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H78 Cd6 N4 O33 -","- C104 H60 Cd6 N4 O33 -","- C104 H60 Cd6 N4 O33 -","1","0.5","","Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting","Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants","Crystal Growth & Design","2014","14","6","3035","","10.1021/cg500295r","","","0.71073","MoKα","","0.0493","0.0368","","","0.0958","0.1044","","","","","","1.011","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510558","12.8225","0.0008","13.3153","0.0007","13.7615","0.0009","65.496","0.006","64.074","0.007","61.25","0.006","1789.3","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H44 N4 O20 P4 -","- C24 H44 N4 O20 P4 -","- C48 H88 N8 O40 P8 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.0705","0.0545","","","0.1604","0.1864","","","","","","0.787","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510559","12.8725","0.0014","12.8725","0.0014","13.6616","0.0019","90","","90","","120","","1960.5","0.4","298","2","298","2","","","","","","","","6","P -3","-P 3","147","","","","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","- C48 H80 Cl9 N8 Na O50 -","1","0.166667","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.1434","0.1043","","","0.3177","0.3762","","","","","","1.207","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510560","10.5903","0.0003","12.1999","0.0004","12.693","0.0004","92.034","0.002","107.203","0.002","110.886","0.002","1445.28","0.08","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O12 S2 -","- C24 H36 N4 O12 S2 -","- C48 H72 N8 O24 S4 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.075","0.0667","","","0.1885","0.1983","","","","","","1.042","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510561","12.365","0.003","12.677","0.002","12.679","0.002","72.785","0.016","62.375","0.019","65.503","0.019","1589.1","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 N4 O15 S3 -","- C24 H36 N4 O15 S3 -","- C48 H72 N8 O30 S6 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.0809","0.0562","","","0.1712","0.206","","","","","","0.762","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510562","11.7044","0.0004","12.3409","0.0004","12.4485","0.0004","65.908","0.002","85.936","0.002","84.8","0.002","1633.58","0.1","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 N8 O16 -","- C24 H36 N8 O16 -","- C48 H72 N16 O32 -","2","1","","Hoque, Md. Najbul; Das, Gopal","Cationic Tripodal Receptor Assisted Formation of Anion and Anion‒Water Clusters: Structural Interpretation of Dihydrogen Phosphate Cluster and Sulfate‒Water Tetramer [(SO4)2‒(H2O)2]4‒","Crystal Growth & Design","2014","14","6","2962","","10.1021/cg500242u","","","0.71073","MoKα","","0.091","0.0634","","","0.1872","0.2096","","","","","","1.161","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510563","20.2889","0.0008","16.9602","0.0007","8.5506","0.0004","90","","90","","90","","2942.3","0.2","298","","298","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Hexaphenyldisilane","Hexaphenyldisilane","","- C36 H30 Si2 -","- C36 H30 Si2 -","- C144 H120 Si8 -","4","1","","Bernert, Thomas; Winkler, Björn; Krysiak, Yasar; Fink, Lothar; Berger, Matthias; Alig, Edith; Bayarjargal, Lkhamsuren; Milman, Victor; Ehm, Lars; Stephens, Peter W.; Auner, Norbert; Lerner, Hans-Wolfram","Determination of the Crystal Structure of Hexaphenyldisilane from Powder Diffraction Data and Its Thermodynamic Properties","Crystal Growth & Design","2014","14","6","2937","","10.1021/cg5002286","powder diffraction","","0.7","synchrotron","","","","","","","","","1.505","2.233","","","","","","","has coordinates","193997","2020-10-21","18:00:00",""
"4510565","9.077","0.007","12.808","0.01","7.145","0.004","90","","90","","90","","830.7","1","300","2","300","2","","","","","","","","5","P n a 21","P 2c -2n","33","2-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.045","0.0412","","","0.1075","0.1116","","","","","","1.08","","","","has coordinates","191062","2020-10-21","18:00:00",""
"4510566","8.394","0.002","11.176","0.003","18.168","0.005","90","","90","","90","","1704.4","0.8","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C64 H72 N8 O8 S8 -","8","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0723","0.0448","","","0.1058","0.1194","","","","","","1.036","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510567","19.121","0.005","10.546","0.002","7.6632","0.0018","90","","100.382","0.006","90","","1520","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-Chlorothiobenzamide","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C56 H48 Cl8 N8 S8 -","8","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0828","0.0615","","","0.1677","0.1792","","","","","","1.131","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510568","3.8217","0.0017","10.562","0.005","15.907","0.007","90","","93.636","0.009","90","","640.8","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 S -","- C6 H6 N2 S -","- C24 H24 N8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0368","0.0313","","","0.0797","0.084","","","","","","1.052","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510569","9.2213","0.0011","15.1707","0.0017","23.499","0.003","90","","92.263","0.003","90","","3284.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-chloro-thiobenzamide","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C112 H96 Cl16 N16 S16 -","16","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0926","0.0428","","","0.0871","0.1069","","","","","","1.003","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510570","11.531","0.002","20.333","0.005","14.477","0.003","90","","107.127","0.007","90","","3243.8","1.2","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","3-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C112 H96 N32 O32 S16 -","16","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0624","0.0391","","","0.0927","0.1067","","","","","","1.031","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510571","3.9782","0.0002","12.3361","0.0006","16.5248","0.0009","86.113","0.002","87.119","0.002","82.639","0.002","801.72","0.07","300","2","300","2","","","","","","","","5","P -1","-P 1","2","4-nitro-thiobenzamide","","","- C7 H6 N2 O2 S -","- C7 H6 N2 O2 S -","- C28 H24 N8 O8 S4 -","4","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0547","0.0364","","","0.0848","0.0907","","","","","","1.366","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510572","5.8027","0.0016","7.421","0.003","15.595","0.006","90","","94.027","0.011","90","","669.9","0.4","300","2","300","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 S -","- C6 H6 N2 S -","- C24 H24 N8 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0792","0.0405","","","0.0938","0.107","","","","","","1.028","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510573","5.9388","0.0016","18.04","0.004","14.087","0.004","90","","100.07","0.009","90","","1486","0.7","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0687","0.0497","","","0.1171","0.1291","","","","","","1.045","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510574","3.9306","0.0005","31.84","0.004","10.9924","0.0014","90","","90.381","0.002","90","","1375.7","0.3","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F N S -","- C7 H6 F N S -","- C56 H48 F8 N8 S8 -","8","4","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.113","0.0787","","","0.1825","0.2054","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510575","4.0185","0.0008","10.95","0.002","16.068","0.003","94.801","0.005","94.631","0.003","90.063","0.004","702.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","4-fluoro-thiobenzamide","","","- C7 H6 F N S -","- C7 H6 F N S -","- C28 H24 F4 N4 S4 -","4","2","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.06","0.0427","","","0.1054","0.1156","","","","","","1.057","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510576","5.8629","0.0005","10.1168","0.001","14.1318","0.0015","90","","96.302","0.003","90","","833.15","0.14","300","2","300","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-methoxy-thiobenzamide","","","- C8 H9 N O S -","- C8 H9 N O S -","- C32 H36 N4 O4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0669","0.0419","","","0.1049","0.1175","","","","","","1.049","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510577","4.042","0.0008","5.6966","0.0012","16.617","0.003","91.143","0.005","95.903","0.005","92.81","0.005","380.01","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H6 Cl N S -","- C7 H6 Cl N S -","- C14 H12 Cl2 N2 S2 -","2","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0529","0.0389","","","0.1032","0.1112","","","","","","1.182","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510578","7.2614","0.0011","11.0313","0.0018","9.6234","0.0015","90","","95.413","0.003","90","","767.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-methyl-thiobenzamide","","","- C8 H9 N S -","- C8 H9 N S -","- C32 H36 N4 S4 -","4","1","","Eccles, Kevin S.; Morrison, Robin E.; Maguire, Anita R.; Lawrence, Simon E.","Crystal Landscape of Primary Aromatic Thioamides","Crystal Growth & Design","2014","14","6","2753","","10.1021/cg401891f","","","0.71073","MoKα","","0.0302","0.0272","","","0.0725","0.075","","","","","","1.052","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510579","7.8201","0.0013","8.1694","0.0014","10.2669","0.0018","106.698","0.002","103.2","0.002","90.842","0.002","609.38","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H7 N O10 U -","- C8 H7 N O10 U -","- C16 H14 N2 O20 U2 -","2","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0244","0.0233","","","0.0565","0.0571","","","","","","1.035","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510580","9.5699","0.0003","11.0566","0.0004","14.7236","0.0005","94.826","0.001","95.469","0.001","112.878","0.001","1416.3","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H42 N6 O32 U3 -","- C44 H42 N6 O32 U3 -","- C44 H42 N6 O32 U3 -","1","0.5","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0526","0.0343","","","0.0647","0.0711","","","","","","1.028","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510581","10.6646","0.0011","11.0897","0.0011","14.724","0.002","106.806","0.002","95.727","0.002","113.001","0.001","1489.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N3 O18 U2 -","- C22 H24 N3 O18 U2 -","- C44 H48 N6 O36 U4 -","2","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0294","0.023","","","0.0501","0.0524","","","","","","1.034","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510582","11.8861","0.0003","20.3996","0.0006","9.7156","0.0003","90","","99.59","","90","","2322.84","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O14 U -","- C19 H15 N3 O14 U -","- C76 H60 N12 O56 U4 -","4","1","","Cantos, Paula M.; Cahill, Christopher L.","A Family of UO22±-5-Nitro-1,3-dicarboxylate Hybrid Materials: Structural Variation As a Function of pH and Structure Directing Species","Crystal Growth & Design","2014","14","6","3044","","10.1021/cg500304d","","x-ray","0.71073","MoKα","","0.0547","0.0349","","","0.0709","0.0779","","","","","","1.025","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510583","18.446","0.005","21.371","0.005","25.362","0.005","69.974","0.005","83.293","0.005","64.7","0.005","8487","3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C135 H181 Cl9 Co9 N36 O9 P3 -","- C135 H181 Cl9 Co9 N36 O9 P3 -","- C270 H362 Cl18 Co18 N72 O18 P6 -","2","1","","Sahoo, Dipankar; Suriyanarayanan, Ramakirushnan; Chandrasekhar, Vadapalli","A 30-Membered Nonanuclear Cobalt(II) Macrocycle Containing Phosphonate-Bridged Trinuclear Subunits","Crystal Growth & Design","2014","14","6","2725","","10.1021/cg5003594","","","0.71069","MoKα","","0.1151","0.1038","","","0.3158","0.3387","","","","","","1.137","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510584","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","- C27.4 H23 N0.6 -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0696","0.0503","","","0.1035","0.1149","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510585","7.749","0.016","6.056","0.012","10.71","0.02","90","","107.694","0.017","90","","478.8","1.6","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H23 N -","- C27 H23 N -","- C27 H23 N -","1","0.5","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0725","0.0534","","","0.1136","0.1255","","","","","","1.033","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510586","7.897","0.004","5.861","0.002","10.737","0.005","90","","108.062","0.019","90","","472.5","0.4","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H11 N -","- C13 H11 N -","- C26 H22 N2 -","2","1","","Kupka, A.; Schauerte, C.; Merz, K.","Isostructural Crystallization Behavior of Dihydroanthracene and Dihydroacridine","Crystal Growth & Design","2014","14","6","2985","","10.1021/cg5002623","","","0.71073","MoKα","","0.0524","0.0485","","","0.1038","0.1075","","","","","","1.021","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510587","36.479","0.001","36.479","0.001","36.479","0.001","90","","90","","90","","48543","2","173","2","173","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C10 H2 Cu O5 S2 -","- C10 H2 Cu O5 S2 -","- C480 H96 Cu48 O240 S96 -","48","0.25","","Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng","Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites","Crystal Growth & Design","2014","14","6","2866","","10.1021/cg500175k","","","0.71073","MoKα","","0.1442","0.095","","","0.2289","0.251","","","","","","1.035","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510588","20.4434","0.0014","20.4434","0.0014","20.4434","0.0014","90","","90","","90","","8544","1","173","2","173","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C40 H8 Cl Cu4 O16 S8 -","- C40 H8 Cl Cu4 O16 S8 -","- C120 H24 Cl3 Cu12 O48 S24 -","3","0.0625","","Huang, Yumei; Zhang, Bingguang; Duan, Jingui; Liu, Wenlong; Zheng, Xiaofang; Wen, Lili; Ke, Xiaohuan; Li, Dongfeng","Two Copper(II) Metal‒Organic Frameworks with Nanoporous Channels and Vacant Coordination Sites","Crystal Growth & Design","2014","14","6","2866","","10.1021/cg500175k","","","0.71073","MoKα","","0.0244","0.0221","","","0.0605","0.061","","","","","","1.083","","","","has coordinates,has disorder","179652","2020-10-21","18:00:00",""
"4510589","10.385","0.005","32.06","0.005","31.248","0.005","90","","96.776","0.005","90","","10331","5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H10 Ag3 Mo12 N14 O40 P -","- C18 H10 Ag3 Mo12 N14 O40 P -","- C144 H80 Ag24 Mo96 N112 O320 P8 -","8","1","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.0314","0.0245","","","0.0513","0.0537","","","","","","1.056","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510590","11.83","0.005","12.709","0.005","14.789","0.005","105.033","0.005","99.809","0.005","115.518","0.005","1833.6","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H26 Ag6 Co N28 O42 W12 -","- C36 H26 Ag6 Co N28 O42 W12 -","- C36 H26 Ag6 Co N28 O42 W12 -","1","0.5","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.1811","0.1022","","","0.2434","0.2915","","","","","","1.038","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510591","12.387","0.005","13.14","0.005","14.969","0.005","104.87","0.005","99.856","0.005","116.097","0.005","1998.3","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H20 Ag7 Ge N28 O47 W12 -","- C36 H20 Ag7 Ge N28 O47 W12 -","- C36 H20 Ag7 Ge N28 O47 W12 -","1","0.5","","Li, Meng-Ting; Sha, Jing-Quan; Zong, Xi-Ming; Sun, Jing-Wen; Yan, Peng-Fei; Li, Liang; Yang, Xiao-Ning","Assembly of Polyoxometalate-Based Hybrids with Different Helical Channels upon Subtle Ligand Variation","Crystal Growth & Design","2014","14","6","2794","","10.1021/cg500045q","","","0.71069","MoKα","","0.0801","0.0713","","","0.141","0.1451","","","","","","1.203","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510592","13.473","0.0011","13.2684","0.0008","11.2407","0.0008","90","","111.707","0.009","90","","1867","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lornoxicam Mesylate salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-ol-1,1-dioxide) Mesylate","","- C14 H14 Cl N3 O7 S3 -","- C14 H14 Cl N3 O7 S3 -","- C56 H56 Cl4 N12 O28 S12 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.112","0.0507","","","0.0644","0.0828","","","","","","0.907","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510593","7.5577","0.0007","10.3747","0.0009","12.0879","0.0012","68.516","0.009","75.433","0.008","70.585","0.008","822.65","0.15","298","2","298","2","","","","","","","","6","P -1","-P 1","2","Lornoxicam Ammonium salt","Ammonium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)","","- C13 H13 Cl N4 O4 S2 -","- C13 H13 Cl N4 O4 S2 -","- C26 H26 Cl2 N8 O8 S4 -","2","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1309","0.0692","","","0.1318","0.1513","","","","","","0.972","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510594","13.2445","0.0009","13.0698","0.0007","11.6414","0.0008","90","","111.547","0.008","90","","1874.3","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Lornoxicam Piperazine salt","Piperazinium (3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-one 1,1-dioxide)","","- C15 H16 Cl N4 O4 S2 -","- C15 H15 Cl N4 O4 S2 -","- C60 H60 Cl4 N16 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0758","0.0406","","","0.0901","0.0984","","","","","","0.905","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510595","7.202","0.0004","13.542","0.0008","14.9987","0.0007","90","","90","","90","","1462.82","0.14","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin- 4 - one 1,1-dioxide","","- C13 H10 Cl N3 O4 S2 -","- C13 H10 Cl N3 O4 S2 -","- C52 H40 Cl4 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.0718","0.0466","","","0.0866","0.093","","","","","","0.935","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510596","6.8795","0.0005","9.1606","0.0008","26.201","0.002","90","","90","","90","","1651.2","0.2","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Lornoxicam Hydrochloride salt","(3E)-6-chloro-3-[hydroxy(pyridin-2-ylamino)methylene]- 2-methyl-2,3-dihydro-4H-thieno[2,3-e][1,2] thiazin-4-enol 1,1-dioxide) hydrochloride salt","","- C13 H11 Cl2 N3 O4 S2 -","- C13 H11 Cl2 N3 O4 S2 -","- C52 H44 Cl8 N12 O16 S8 -","4","1","","Suresh, Kuthuru; Nangia, Ashwini","Lornoxicam Salts: Crystal Structures, Conformations, and Solubility","Crystal Growth & Design","2014","14","6","2945","","10.1021/cg500231z","","","0.71073","MoKα","","0.1345","0.0707","","","0.1404","0.1586","","","","","","0.98","","","","has coordinates","179652","2020-10-21","18:00:00",""
"4510597","21.1146","0.0011","37.6435","0.0019","28.2514","0.0014","90","","108.803","0.001","90","","21256.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C92 H74 Cd2 N8 O12 -","- C92 H74 Cd2 N8 O12 -","- C736 H592 Cd16 N64 O96 -","8","1","","Qin, Ling; Ju, Ze-Min; Wang, Zhong-Jie; Meng, Fan-Dian; Zheng, He-Gen; Chen, Jin-Xi","Interpenetrated Metal‒Organic Framework with Selective Gas Adsorption and Luminescent Properties","Crystal Growth & Design","2014","14","6","2742","","10.1021/cg500269h","","","0.71073","MoKα","","0.066","0.0391","","","0.082","0.0852","","","","","","1.035","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4510598","21.46","0.002","8.4012","0.0009","15.337","0.0018","90","","110.639","0.005","90","","2587.6","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Bi6 Cl10 O12 Se4 -","- Bi6 Cl10 O12 Se4 -","- Bi24 Cl40 O48 Se16 -","4","1","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.0427","0.0299","","","0.033","0.0442","","","","1.46","1.46","1.76","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510599","22.7052","0.0003","76.785","0.004","16.055","0.0003","90","","135","0.0017","90","","19792.3","1.3","293","","293","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Bi Cl O3 Se -","- Bi Cl O3 Se -","- Bi192 Cl192 O576 Se192 -","192","48","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1124","0.0612","","","0.0645","0.0694","","","","1.63","1.63","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510600","15.819","0.006","17.871","0.007","15.857","0.006","90","","90","","90","","4483","3","293","","293","","","","","","","","","5","C c c b :1","C 2 2 -1ac","68","","","","- Bi10 Cl8 O36 Pb Se12 -","- Bi10 Cl8 O36 Pb Se12 -","- Bi40 Cl32 O144 Pb4 Se48 -","4","","","Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier","Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell","Crystal Growth & Design","2014","14","6","3026","","10.1021/cg500293w","","x-ray","0.71073","MoKα","","0.1057","0.0667","","","0.0639","0.0859","","","","0.84","0.84","0.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510815","9.3808","0.0007","9.452","0.0007","15.2326","0.0009","96.684","0.005","97.284","0.005","105.658","0.006","1273.88","0.16","150.01","0.1","150.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H27 N3 O12 -","- C27 H27 N3 O12 -","- C54 H54 N6 O24 -","2","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54178","CuKα","","0.0566","0.0493","","","0.1373","0.1489","","","","","","1.041","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510816","13.1592","0.0006","9.5499","0.0003","13.1773","0.0006","90","","116.414","0.006","90","","1483.1","0.13","285","14","285","14","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C14 H17 N5 O4 -","- C14 H17 N5 O4 -","- C56 H68 N20 O16 -","4","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54184","CuKα","","0.0523","0.0445","","","0.1092","0.1165","","","","","","1.047","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510817","8.643","0.0007","8.9364","0.0007","13.4003","0.001","86.348","0.006","79.738","0.007","65.391","0.008","925.88","0.14","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C40 H38 N6 O14 -","2","1","","Song, Jia-Xi; Yan, Yan; Yao, Jia; Chen, Jia-Mei; Lu, Tong-Bu","Improving the Solubility of Lenalidomide via Cocrystals","Crystal Growth & Design","2014","14","6","3069","","10.1021/cg500327s","","","1.54178","CuKα","","0.0639","0.0498","","","0.1245","0.1361","","","","","","1.04","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510818","42.39","0.008","7.4819","0.0014","15.408","0.003","90","","104.032","0.003","90","","4740.9","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Cl F N3 O6 -","- C24 H25 Cl F N3 O6 -","- C192 H200 Cl8 F8 N24 O48 -","8","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.1391","0.1021","","","0.1592","0.1691","","","","","","1.288","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510819","6.6136","0.0018","10.492","0.003","15.293","0.004","91.298","0.004","91.219","0.005","101.16","0.004","1040.5","0.5","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C21.5 H27 Cl F N3 O4.5 -","- C21.5 H27 Cl F N3 O4.5 -","- C43 H54 Cl2 F2 N6 O9 -","2","2","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0968","0.0788","","","0.1708","0.1875","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510820","7.779","0.002","17.321","0.004","10.313","0.003","90","","103.685","0.004","90","","1350.1","0.6","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H31 Cl F N3 O7 -","- C28 H31 Cl F N3 O7 -","- C56 H62 Cl2 F2 N6 O14 -","2","1","","Martínez-Alejo, Juan M.; Domínguez-Chávez, Jorge G.; Rivera-Islas, Jesús; Herrera-Ruiz, Dea; Höpfl, Herbert; Morales-Rojas, Hugo; Senosiain, Juan P.","A Twist in Cocrystals of Salts: Changes in Packing and Chloride Coordination Lead to Opposite Trends in the Biopharmaceutical Performance of Fluoroquinolone Hydrochloride Cocrystals","Crystal Growth & Design","2014","14","6","3078","","10.1021/cg500345a","","","0.71073","MoKα","","0.0634","0.0538","","","0.1145","0.1188","","","","","","1.104","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510821","20.0561","0.0005","19.5073","0.0002","9.6398","0.0002","90","","130.671","0.004","90","","2860.5","0.2","180","","180","","","","101","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Cl N O6 -","- C32 H36 Cl N O6 -","- C128 H144 Cl4 N4 O24 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","","","1.54184","CuKα","","0.0551","0.0449","","0.1292","0.1108","0.1292","","","","","","0.9703","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510822","43.4462","0.0007","6.61949","0.0001","16.5083","0.0002","90","","99.7909","0.0014","90","","4678.5","0.12","190","","190","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H62 Cl2 N2 O10 -","- C52 H62 Cl2 N2 O10 -","- C208 H248 Cl8 N8 O40 -","4","0.5","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","","","1.54184","CuKα","","0.0428","0.0403","","0.1221","0.1174","0.1221","","","","","","0.9214","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510823","25.4311","0.0005","6.66631","0.00012","16.7131","0.0003","90","","95.057","0.0017","90","","2822.37","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Cl N O7 -","- C30 H38 Cl N O7 -","- C120 H152 Cl4 N4 O28 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","powder diffraction","x-ray","1.5418","CuKα","","0.1127","0.0854","","0.0792","0.0741","","","","1.56","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510824","24.2324","0.0006","6.76298","0.00012","16.5907","0.0003","90","","107.606","0.0009","90","","2591.58","0.09","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H35 Cl N O5 -","- C28 H35 Cl N O5 -","- C112 H140 Cl4 N4 O20 -","4","1","","Sládková, Veronika; Cibulková, Jana; Eigner, Václav; Šturc, Antonín; Kratochvíl, Bohumil; Rohlíček, Jan","Application and Comparison of Cocrystallization Techniques on Trospium Chloride Cocrystals","Crystal Growth & Design","2014","14","6","2931","","10.1021/cg500226z","powder diffraction","x-ray","1.5418","CuKα","","0.069","0.0482","","0.0565","0.0513","","","","2.81","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510825","13.865","0.012","16.623","0.014","21.819","0.018","90","","92.033","0.014","90","","5026","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H36 Ag6 F12 N4 O11 -","- C41 H24 Ag6 F12 N4 O11 -","- C164 H96 Ag24 F48 N16 O44 -","4","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1073","0.0818","","","0.1927","0.2119","","","","","","1.067","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510826","13.654","0.003","14.19","0.003","15.105","0.003","77.671","0.004","76.944","0.004","70.973","0.004","2663.9","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H72 Ag12 F24 N8 O26.5 -","- C80 H56 Ag12 F24 N8 O26.5 -","- C80 H56 Ag12 F24 N8 O26.5 -","1","0.5","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1191","0.1103","","","0.2562","0.269","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510827","10.9216","0.0018","13.425","0.002","26.111","0.004","76.311","0.003","88.568","0.003","72.997","0.003","3553.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H49 Ag9 F18 N4 O17 -","- C55 H38 Ag9 F18 N4 O17 -","- C110 H76 Ag18 F36 N8 O34 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.0843","0.0788","","","0.2159","0.2267","","","","","","1.034","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510828","10.9575","0.0015","13.3587","0.0019","27.408","0.004","76.029","0.003","89.12","0.002","72.503","0.003","3706","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H55 Ag9 F18 N4 O17 -","- C58 H42 Ag9 F18 N4 O17 -","- C116 H84 Ag18 F36 N8 O34 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1072","0.0935","","","0.2222","0.2388","","","","","","1.072","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510829","9.9298","0.0008","13.4301","0.0011","14.8808","0.0012","65.92","0.001","84.082","0.002","76.82","0.002","1763.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Ag8 F18 N8 O15 -","- C56 H38 Ag8 F18 N8 O15 -","- C56 H38 Ag8 F18 N8 O15 -","1","0.5","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1162","0.111","","","0.2508","0.2572","","","","","","1.105","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510830","9.9222","0.001","13.5535","0.0014","14.6566","0.0015","67.604","0.002","84.94","0.002","75.939","0.002","1767.7","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Ag4 F9 N4 O7 -","- C29 H21 Ag4 F9 N4 O7 -","- C58 H42 Ag8 F18 N8 O14 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1296","0.1179","","","0.2615","0.2736","","","","","","1.101","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510831","10.143","0.001","13.139","0.0012","14.3959","0.0013","63.58","0.002","88.212","0.002","72.382","0.002","1625.5","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Ag4 F9 N4 O7 -","- C25 H17 Ag4 F9 N4 O7 -","- C50 H34 Ag8 F18 N8 O14 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1111","0.1031","","","0.2403","0.249","","","","","","1.112","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510832","9.6275","0.0007","14.4359","0.001","14.9142","0.0011","67.025","0.002","74.899","0.001","85.478","0.001","1841.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27 Ag4 F9 N4 O6 -","- C32 H27 Ag4 F9 N4 O6 -","- C64 H54 Ag8 F18 N8 O12 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1053","0.098","","","0.2371","0.2472","","","","","","1.091","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510833","12.7745","0.0014","14.18","0.0015","14.5221","0.0016","70.86","0.002","88.158","0.002","73.63","0.002","2379.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Ag6 F12 N4 O11 -","- C34 H24 Ag6 F12 N4 O11 -","- C68 H48 Ag12 F24 N8 O22 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.1038","0.1001","","","0.2396","0.2482","","","","","","1.105","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510834","12.7287","0.0014","12.9642","0.0014","14.91","0.003","107.235","0.003","103.377","0.003","108.095","0.002","2087.2","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Ag6 F12 N4 O8 -","- C30 H32 Ag6 F12 N4 O8 -","- C60 H64 Ag12 F24 N8 O16 -","2","1","","Yang, Jin; Hu, Ting; Mak, Thomas C. W.","Flexible Bis(imidazole) Mediated Assembly of Silver(I)‒Organic Frameworks with Ethynide and Trifluoroacetate Ligands","Crystal Growth & Design","2014","14","6","2990","","10.1021/cg500271f","","","0.71073","MoKα","","0.096","0.0921","","","0.2302","0.2365","","","","","","1.092","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510860","34.5483","0.0015","10.6845","0.0005","27.5819","0.0011","90","","107.569","0.002","90","","9706.4","0.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H33 K N O6.88 Os -","- C20.25 H33 K N O6.875 Os -","- C324 H528 K16 N16 O110 Os16 -","16","2","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.71073","MoKα","","0.0341","0.0257","","","0.0537","0.0563","","","","","","1.019","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510861","13.3502","0.0002","7.10564","0.00011","30.6426","0.0004","90","","100.306","0.0015","90","","2859.91","0.07","120","0.2","120","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H40 K2 N2 O12 Os -","- C21 H40 K2 N2 O12 Os -","- C84 H160 K8 N8 O48 Os4 -","4","1","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.7107","MoKα","Mo","0.0298","0.0254","","","0.0552","0.0567","","","","","","1.07","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510862","6.6601","0.00014","17.5692","0.0003","26.7739","0.0006","90","","91.926","0.0019","90","","3131.11","0.11","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H42 K N2 O10 Os -","- C26 H42 K N2 O10 Os -","- C104 H168 K4 N8 O40 Os4 -","4","1","","Eckshtain-Levi, Meital; Yufit, Dmitry; Shimon, Linda J. W.; Kirillov, Alexander M.; Benisvy, Laurent","Os(VI)O2/K Metal‒Organic Frameworks: Infinite Chain, Grid, and Porous Networks","Crystal Growth & Design","2014","14","6","2703","","10.1021/cg4016178","","","0.7107","MoKα","Mo","0.0454","0.0421","","","0.0927","0.094","","","","","","1.181","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510863","12.519","0.007","13.07","0.006","21.475","0.011","73.351","0.013","89.769","0.014","70.849","0.01","3164","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C108 H142 N4 Ni8 O28 P2 S8 -","- C108 H110 N4 Ni8 O28 P2 S8 -","- C108 H110 N4 Ni8 O28 P2 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0928","0.0728","","","0.1861","0.2075","","","","","","1.083","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510864","12.304","0.006","12.449","0.006","21.118","0.011","84.197","0.017","78.94","0.013","75.862","0.014","3073","3","293","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C114 H116 Cl0 N6 Ni8 O28 P2 S8 -","- C113.98 H84 N6 Ni8 O28 P2 S8 -","- C113.98 H84 N6 Ni8 O28 P2 S8 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0924","0.07","","","0.1897","0.2143","","","","","","1.037","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510865","24.549","0.004","28.856","0.004","31.942","0.005","90","","93.539","0.002","90","","22584","6","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C180 H116 Cl2 Na2 Ni12 O30 P6 S12 -","- C180 H110 Cl2.01 Na2 Ni12 O30 P6 S12 -","- C720 H440 Cl8.04 Na8 Ni48 O120 P24 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0713","0.0624","","","0.2008","0.2138","","","","","","1.04","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510866","24.017","0.006","28.969","0.007","31.279","0.008","90","","95.079","0.005","90","","21677","9","120","2","120","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C180 H116 Cl2 Co12 N0 Na2 O31 P6 S12 -","- C180 H108 Cl2.01 Co12 Na2 O30 P6 S12 -","- C720 H432 Cl8.04 Co48 Na8 O120 P24 S48 -","4","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0813","0.0654","","","0.1874","0.2047","","","","","","1.046","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510867","30.8006","0.0003","30.8006","0.0003","63.5696","0.0012","90","","90","","90","","60307","1.4","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Na4 Ni16 O80 P8 S16 -","- C212 H156 Na4 Ni16 O80 P8 S16 -","- C1696 H1248 Na32 Ni128 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0753","0.0723","","","0.2183","0.2224","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510868","31.0238","0.0004","31.0238","0.0004","63.8894","0.0016","90","","90","","90","","61492","1.9","120","2","120","2","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C212 H236 Co16 Na4 O80 P8 S16 -","- C212 H180 Co16 Na4 O80 P8 S16 -","- C1696 H1440 Co128 Na32 O640 P64 S128 -","8","0.25","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.0743","0.0715","","","0.2107","0.2144","","","","","","1.074","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510869","26.2994","0.0003","33.3014","0.0005","37.9859","0.0003","79.778","0.001","85.964","0.001","66.865","0.001","30107.3","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C414 H514 Cl0 Co40 N2 O124 P16 S40 -","- C400 H391 Co40 O114 P16 S40 -","- C800 H782 Co80 O228 P32 S80 -","2","1","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1265","0.0934","","","0.2757","0.3078","","","","","","1.063","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510870","40.933","0.006","25.607","0.004","35.165","0.005","90","","90","","90","","36859","9","120","2","120","2","","","","","","","","8","C m c a","-C 2ac 2","64","","","","- C252 H314 Cl6 Co24 N6 O57 P8 S24 -","- C240 H96 Cl6 Co24 O57 P8 S24 -","- C960 H384 Cl24 Co96 O228 P32 S96 -","4","","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Gai, Yanli; Wu, Mingyan; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Maochun","Generalized Synthesis of Calixarene-Based High-Nuclearity M4nNanocages (M = Ni or Co;n= 2‒6)","Crystal Growth & Design","2014","14","6","3116","","10.1021/cg5003836","","","0.71073","MoKα","","0.1048","0.0853","","","0.2413","0.2687","","","","","","1.051","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510871","12.9082","0.0009","11.5417","0.0008","12.5179","0.0009","90","","116.342","0.009","90","","1671.3","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C56 H96 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0559","0.0439","","","0.1503","0.1622","","","","","","1.159","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510872","6.23877","0.00007","11.55362","0.00012","11.3436","0.00012","90","","90.9259","0.0009","90","","817.544","0.015","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","Levetiracetam 2,2-dimethylsuccinic acid cocrystal","","","- C14 H24 N2 O6 -","- C14 H24 N2 O6 -","- C28 H48 N4 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","8.7502","4.1792","","","","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510873","6.2828","0.0003","13.3843","0.0006","18.7984","0.0008","90","","96.638","0.004","90","","1570.18","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0463","0.0399","","","0.0919","0.0956","","","","","","1.077","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510874","6.60584","0.00003","13.11919","0.00007","18.80723","0.00008","90","","90","","90","","1629.9","0.013","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Etiracetam 2,4-dihydroxybenzoic acid cocrystal","","","- C15 H20 N2 O6 -","- C15 H20 N2 O6 -","- C60 H80 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","powder diffraction","x-ray","0.775045","synchrotron","","","","","","","","","12.3722","2.9361","","","","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510875","5.8455","0.0002","11.6845","0.0012","12.5762","0.001","78.856","0.008","82.443","0.006","84.035","0.007","832.73","0.11","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N3 O6 -","- C15 H19 N3 O6 -","- C30 H38 N6 O12 -","2","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0661","0.0526","","","0.1382","0.1476","","","","","","1.037","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510876","8.0511","0.0004","13.0536","0.0006","23.0243","0.0009","90","","90","","90","","2419.76","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","1.54184","CuKα","","0.0446","0.0412","","","0.1108","0.1148","","","","","","1.02","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510877","24.2697","0.0008","7.4683","0.0002","13.323","0.0005","90","","104.663","0.004","90","","2336.19","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C88 H96 N16 O40 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0634","0.0526","","","0.1538","0.1632","","","","","","1.165","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510878","7.0988","0.0009","7.3613","0.001","12.1428","0.0013","77.496","0.01","88.25","0.01","74.232","0.012","595.91","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","- C22 H24 N4 O10 -","1","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0586","0.054","","","0.1614","0.167","","","","","","1.057","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510879","5.7253","0.0002","20.2528","0.0007","10.9457","0.0005","90","","100.085","0.004","90","","1249.58","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","1","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0479","0.0413","","","0.1015","0.1056","","","","","","1.071","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510880","5.7646","0.0004","19.8963","0.0014","11.069","0.0008","90","","99.331","0.006","90","","1252.75","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H16 N2 O6 -","- C10 H16 N2 O6 -","- C40 H64 N8 O24 -","4","2","","George, Fanny; Tumanov, Nikolay; Norberg, Bernadette; Robeyns, Koen; Filinchuk, Yaroslav; Wouters, Johan; Leyssens, Tom","Does Chirality Influence the Tendency toward Cocrystal Formation?","Crystal Growth & Design","2014","14","6","2880","","10.1021/cg500181t","","","0.71073","MoKα","","0.0608","0.0457","","","0.0899","0.0974","","","","","","1.031","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510882","13.6168","0.0009","17.1138","0.0007","8.6415","0.0004","90","","99.949","0.005","90","","1983.49","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H23.5 Co N2.5 O5.5 -","- C17.5 H23.5 Co N2.5 O5.5 -","- C70 H94 Co4 N10 O22 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0481","0.0371","","","0.0788","0.0841","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510883","11.443","0.0004","11.8242","0.0006","21.1005","0.0008","103.125","0.004","91.599","0.003","104.59","0.003","2679.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H42 Co2 F12 N7 O15 -","- C43 H42 Co2 F12 N7 O15 -","- C86 H84 Co4 F24 N14 O30 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.1387","0.0729","","","0.1436","0.1724","","","","","","0.999","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510884","10.0494","0.0003","10.0494","0.0003","24.9574","0.0011","90","","90","","120","","2182.78","0.13","293","2","293","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C24 H16 Co F6 N4 O4 S2 -","- C24 H16 Co F6 N4 O4 S2 -","- C72 H48 Co3 F18 N12 O12 S6 -","3","0.25","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0579","0.0453","","","0.1303","0.1427","","","","","","1.032","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510885","10.0283","0.0003","10.0283","0.0003","26.851","0.001","90","","90","","120","","2338.55","0.13","293","2","293","2","","","","","","","","6","P 62","P 62","171","","","","- C28 H24 Co F6 N4 O5 -","- C28 H24 Co F6 N4 O5 -","- C84 H72 Co3 F18 N12 O15 -","3","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.0685","0.0478","","","0.1132","0.1269","","","","","","1.064","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510886","18.6416","0.001","17.6594","0.0007","38.1138","0.0019","90","","90.137","0.005","90","","12547","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C120 H112 Co4 F24 N16 O16 -","- C120 H112 Co4 F24 N16 O16 -","- C480 H448 Co16 F96 N64 O64 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Chisca, Diana; Baca, Svetlana G.; van Leusen, Jan; Kögerler, Paul; Bourosh, Polina; Kravtsov, Victor Ch.; Grabco, Daria; Pyrtsac, Constantin; Fonari, Marina S.","Effects of Anion and Bipyridyl Bridging Ligand Identity on the Co(II) Coordination Networks","Crystal Growth & Design","2014","14","6","3015","","10.1021/cg500646r","","","0.71073","MoKα","","0.2455","0.0872","","","0.1903","0.245","","","","","","1.015","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510941","12.222","0.0015","12.222","0.0015","41.159","0.005","90","","90","","90","","6148.2","1.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C35 H24 Cd N2 O8 -","- C35 H26 Cd N2 O8 -","- C280 H208 Cd8 N16 O64 -","8","0.5","","Pang, Ling-Yan; Yang, Guo-Ping; Jin, Jun-Cheng; Kang, Meng; Fu, Ai-Yun; Wang, Yao-Yu; Shi, Qi-Zhen","A Rare L1D + R1D →3D Luminescent Dense Polymer as Multifunctional Sensor to Nitro Aromatic Compounds, Cu2+, and Bases","Crystal Growth & Design","2014","14","6","2954","","10.1021/cg5002418","","","0.71073","MoKα","","0.0347","0.0314","","","0.0914","0.107","","","","","","1.13","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510943","5.898","0.004","14.913","0.013","14.979","0.013","90","","90","","90","","1317.5","1.9","213","2","213","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C7 H5 F3 -","- C7 H5 F3 -","- C56 H40 F24 -","8","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0901","0.0799","","","0.2164","0.2225","","","","","","1.146","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510944","5.854","0.0012","7.9654","0.0016","13.198","0.003","90","","100.18","0.03","90","","605.7","0.2","208","2","208","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H6 F2 -","- C7 H6 F2 -","- C28 H24 F8 -","4","1","","Merz, Klaus; Evers, Mathies V.; Uhl, Felix; Zubatyuk, Roman I.; Shishkin, Oleg V.","Role of CHF2- and CF3-Substituents on Molecular Arrangement in the Solid State: Experimental and Theoretical Crystal Structure Analysis of CH3/CHF2/CF3-Substituted Benzene","Crystal Growth & Design","2014","14","6","3124","","10.1021/cg500413j","","","0.71073","MoKα","","0.0776","0.0661","","","0.1553","0.1687","","","","","","1.073","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4511003","12.268","0.003","12.301","0.003","24.005","0.005","81.779","0.004","80.323","0.004","70.373","0.004","3348.9","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H29 Ag11 F21 N3 O14 -","- C56 H29 Ag11 F21 N3 O14 -","- C112 H58 Ag22 F42 N6 O28 -","2","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0299","0.0246","","","0.0598","0.0631","","","","","","1.066","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511004","24.205","0.003","13.9678","0.0017","61.649","0.007","90","","96.107","0.002","90","","20725","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C77 H44 Ag17 F39 N3 O32 -","- C77 H38 Ag17 F39 N3 O32 -","- C616 H304 Ag136 F312 N24 O256 -","8","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0927","0.083","","","0.1882","0.1939","","","","","","1.197","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511005","11.7817","0.0007","13.594","0.0008","25.5927","0.0016","90","","94.723","0.001","90","","4085","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H17 Ag7 F15 N O12 -","- C30 H17 Ag7 F15 N O12 -","- C120 H68 Ag28 F60 N4 O48 -","4","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.0363","0.0308","","","0.0713","0.0763","","","","","","1.069","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511006","27.0716","0.0018","7.0575","0.0004","22.571","0.0015","90","","104.864","0.001","90","","4168.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C31 H16 Ag7 F14 N O12 -","- C31 H16 Ag7 F14 N O12 -","- C124 H64 Ag28 F56 N4 O48 -","4","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.2114","0.1712","","","0.452","0.4892","","","","","","1.986","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511007","16.628","0.0016","17.478","0.0017","17.9012","0.0017","73.796","0.002","89.955","0.002","82.319","0.002","4947.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C61 H31 Ag16.5 F37.5 O35 -","- C61 H20 Ag16.5 F37.5 O35 -","- C122 H40 Ag33 F75 O70 -","2","1","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.092","0.071","","","0.196","0.2238","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511008","11.3037","0.0007","11.8495","0.0007","27.6552","0.0016","80.746","0.001","87.808","0.001","76.235","0.001","3551","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H66 Ag22 F48 N9 O36 -","- C104 H60 Ag22 F48 N9 O36 -","- C104 H60 Ag22 F48 N9 O36 -","1","0.5","","Hau, Sam C. K.; Mak, Thomas C. W.","Organosilver(I) Framework Assembly with Trifluoroacetate and Diethynyl-Functionalized Isomeric Stilbenes","Crystal Growth & Design","2014","14","7","3567","","10.1021/cg5004963","","","0.71073","MoKα","","0.089","0.0634","","","0.154","0.1715","","","","","","1.066","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511009","14.6088","0.0004","14.5942","0.0005","30.4951","0.0014","90","","98.439","0.003","90","","6431.3","0.4","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C62.75 H90.6 Br N9 O10.4 -","- C62.75 H90.6 Br N9 O10.4 -","- C251 H362.4 Br4 N36 O41.6 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0901","0.0704","","0.1696","0.1597","0.1696","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511010","14.6799","0.0001","14.6665","0.0002","30.4372","0.0002","90","","97.2017","0.0008","90","","6501.51","0.11","150","","150","","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C62.8 H90.2 I N9 O10.5 -","- C62.8 H90.2 I N9 O10.5 -","- C251.2 H360.8 I4 N36 O42 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0348","0.0329","","0.0918","0.0904","0.0918","","","","","","0.9866","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511011","14.495","0.0001","14.6003","0.0001","30.5996","0.0001","90","","95.6933","0.0003","90","","6443.89","0.07","150","","150","","","","","","","","synthesized","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H80 N10 O12 -","- C58 H80 N10 O12 -","- C232 H320 N40 O48 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0593","0.0554","","0.1587","0.1549","0.1587","","","","","","0.9909","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511012","14.0716","0.0001","14.4549","0.0001","29.2252","0.0003","90","","95.2965","0.0008","90","","5919.13","0.08","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 Cl N5 O11.5 -","- C58 H85 Cl N5 O11.5 -","- C232 H340 Cl4 N20 O46 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0607","0.0559","","0.1626","0.157","0.1625","","","","","","0.9877","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511013","14.4476","0.0002","14.4588","0.0002","29.0175","0.0004","90","","94.4908","0.0012","90","","6043","0.14","150","","150","","","","","","","","synthesized","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H85 I N5 O11.5 -","- C58 H85 I N5 O11.5 -","- C232 H340 I4 N20 O46 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.047","0.0418","","0.1191","0.1145","0.1191","","","","","","1.0259","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511014","10.911","0.0002","34.4444","0.0004","16.7589","0.0003","90","","95.8673","0.0018","90","","6265.38","0.18","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C114 H165 N12 O28.5 -","- C114 H165 N12 O28.5 -","- C228 H330 N24 O57 -","2","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1148","0.1016","","0.2394","0.2169","0.2388","","","","","","1.0478","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511015","11.086","0.0009","34.5934","0.0019","14.7651","0.0012","90","","91.329","0.008","90","","5660.9","0.7","100","","100","","","","","","","","synthesized","4","P 1 21 1","P 2yb","4","","","","- C58 H83 N5 O13 -","- C58 H83 N5 O13 -","- C232 H332 N20 O52 -","4","2","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","0.6889","synchrotron","","0.1137","0.0889","","0.206","0.1824","0.206","","","","","","1.0202","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511016","11.0358","0.0003","16.4868","0.0004","35.5496","0.001","90","","90","","90","","6468.1","0.3","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H85 N5 O13 -","- C63 H85 N5 O13 -","- C252 H340 N20 O52 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.0595","0.0532","","0.1436","0.1383","0.1436","","","","","","0.9914","","","","has coordinates,has disorder","179657","2020-10-21","18:00:00",""
"4511017","10.8836","0.0007","16.6797","0.0016","36.187","0.003","90","","90","","90","","6569.2","0.9","150","","150","","","","","","","","synthesized","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H59 N9 O11 -","- C53 H59 N9 O11 -","- C212 H236 N36 O44 -","4","1","","White, Nicholas G.; Serpell, Christopher J.; Beer, Paul D.","Structural Study of Triazole and Amide Containing Anion-Templated Pseudorotaxanes","Crystal Growth & Design","2014","14","7","3472","","10.1021/cg500420u","","","1.5418","CuKα","","0.1582","0.1245","","0.3545","0.3145","0.3545","","","","","","1.1233","","","","has coordinates","179657","2020-10-21","18:00:00",""
"4511199","10.9162","0.0007","12.1614","0.0008","13.2689","0.0009","63.262","0.002","83.086","0.002","69.742","0.002","1474.55","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 I4 N6 O6 Sn -","- C56 H32 I4 N6 O6 Sn -","- C56 H32 I4 N6 O6 Sn -","1","0.5","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.055","0.0444","","","0.1221","0.1276","","","","","","1.052","","","","has coordinates","179658","2020-10-21","18:00:00",""
"4511200","15.1179","0.0004","8.6311","0.0002","16.266","0.0004","90","","95.133","0.001","90","","2113.94","0.09","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H24 I4 N4 O V -","- C44 H24 I4 N4 O V -","- C88 H48 I8 N8 O2 V2 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0574","0.0495","","","0.1403","0.1461","","","","","","1.039","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511201","56.344","0.0018","8.557","0.0002","21.349","0.0007","90","","104.526","0.002","90","","9964.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H34 I4 Mo N7 O3 -","- C53 H34 I4 Mo N7 O3 -","- C424 H272 I32 Mo8 N56 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.061","0.0466","","","0.1599","0.2055","","","","","","1.629","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511202","55.469","0.003","8.6711","0.0005","21.0353","0.0013","90","","95.435","0.003","90","","10072","1","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H27 Br I4 Mo N5 O3 -","- C50 H27 Br I4 Mo N5 O3 -","- C400 H216 Br8 I32 Mo8 N40 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0625","0.0521","","","0.1357","0.1395","","","","","","1.326","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511203","15.8194","0.0005","16.4413","0.0005","22.4957","0.0008","75.395","0.002","71.085","0.002","87.063","0.002","5353.2","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H27 I4 Mo N6 O3 -","- C49 H27 I4 Mo N6 O3 -","- C196 H108 I16 Mo4 N24 O12 -","4","2","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0681","0.0508","","","0.1691","0.1826","","","","","","1.053","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511204","37.5438","0.0014","16.2519","0.0005","16.3223","0.0004","90","","104.076","0.002","90","","9660.1","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 I5 Mo N4 O3 -","- C51 H28 I5 Mo N4 O3 -","- C408 H224 I40 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.1082","0.0632","","","0.1739","0.2154","","","","","","0.997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511205","38.4438","0.0016","16.317","0.0007","15.9435","0.0006","90","","104.165","0.002","90","","9697.1","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 Cl I4 Mo N4 O3 -","- C51 H28 Cl I4 Mo N4 O3 -","- C408 H224 Cl8 I32 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0808","0.0598","","","0.1549","0.1668","","","","","","0.962","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511206","9.8873","0.0004","16.2858","0.0006","16.7259","0.0007","109.494","0.002","105.496","0.002","105.315","0.002","2253.97","0.17","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H27 Br5 Mo N5 O3 -","- C50 H27 Br5 Mo N5 O3 -","- C100 H54 Br10 Mo2 N10 O6 -","2","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0531","0.0374","","","0.1137","0.1267","","","","","","0.965","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511207","29.6929","0.001","14.6788","0.0004","22.636","0.0008","90","","110.222","0.001","90","","9257.9","0.5","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H28 Br4 Mo N5 O3 -","- C50 H28 Br4 Mo N5 O3 -","- C400 H224 Br32 Mo8 N40 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0714","0.0502","","","0.1142","0.1216","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511208","11.9734","0.0004","27.3052","0.0011","14.9182","0.0005","90","","96.621","0.002","90","","4844.8","0.3","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H35 I Mo N8 O3 -","- C50 H35 I Mo N8 O3 -","- C200 H140 I4 Mo4 N32 O12 -","4","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0776","0.062","","","0.1594","0.1665","","","","","","1.081","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511209","36.181","0.002","15.7826","0.0009","16.3625","0.0009","90","","97.903","0.003","90","","9254.7","0.9","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H40 I Mo N4 O3 -","- C55 H40 I Mo N4 O3 -","- C440 H320 I8 Mo8 N32 O24 -","8","1","","Nandi, Goutam; Titi, Hatem M.; Goldberg, Israel","Exploring Supramolecular Self-Assembly of Metalloporphyrin Tectons by Halogen Bonding. 2","Crystal Growth & Design","2014","14","7","3557","","10.1021/cg500491c","","","0.71073","MoKα","","0.0858","0.0612","","","0.1556","0.167","","","","","","1.011","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511210","19.836","0.01","7.193","0.004","12.924","0.006","90","","98.587","0.008","90","","1823.3","1.6","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C72 H72 N16 O24 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0738","0.045","","","0.1035","0.1179","","","","","","1.066","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511211","7.939","0.005","8.809","0.004","18.406","0.011","90","","90","","90","","1287.2","1.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1213","0.0881","","","0.2434","0.2695","","","","","","1.147","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511212","7.897","0.004","8.786","0.004","18.235","0.009","90","","90","","90","","1265.2","1.1","203","2","203","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0854","0.0581","","","0.1311","0.1465","","","","","","1.08","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511213","7.868","0.003","8.766","0.003","18.138","0.008","90","","90","","90","","1251","0.8","143","2","143","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C6 H8 N2 -","- C6 H8 N2 -","- C48 H64 N16 -","8","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0731","0.0566","","","0.1633","0.1712","","","","","","1.03","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511214","10.3822","0.0015","14.176","0.002","17.233","0.002","90","","101.212","0.003","90","","2487.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C96 H92 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0935","0.0685","","","0.2016","0.2149","","","","","","1.127","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511215","17.006","0.004","13.708","0.003","20.859","0.004","90","","99.412","0.003","90","","4797.2","1.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C192 H184 N40 O72 -","8","2","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.1267","0.0577","","","0.1127","0.1381","","","","","","1","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511216","7.8501","0.0008","17.5407","0.0017","17.4936","0.0017","90","","102.741","0.002","90","","2349.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N5 O9 -","- C24 H23 N5 O9 -","- C96 H92 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0365","0.0324","","","0.0795","0.0828","","","","","","1.011","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511217","7.5051","0.0008","20.064","0.002","16.9094","0.0017","90","","100.157","0.002","90","","2506.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N5 O9 -","- C25 H25 N5 O9 -","- C100 H100 N20 O36 -","4","1","","Draguta, Sergiu; Yakovenko, Andrey A.; Fonari, Marina S.; Timofeeva, Tatiana V.","Unusual Chemical Ratio, Z″ Values, and Polymorphism in Three NewN-Methyl Aminopyridine‒4-Nitrophenol Adducts","Crystal Growth & Design","2014","14","7","3423","","10.1021/cg500360f","","","0.71073","MoKα","","0.0401","0.034","","","0.0879","0.0933","","","","","","1.022","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511218","26.998","0.002","10.272","0.001","13.3181","0.0012","90","","92.46","0.001","90","","3690","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H44 Mo0.75 N2 O10 W0.25 -","- C40 H44 Mo0.75 N2 O10 W0.25 -","- C160 H176 Mo3 N8 O40 W -","4","0.5","","Zhang, B.; Lu, X. M.; Li, K.; Du, S. Z.; Wang, G.; Wang, Q.","Improving and Fining of Nanostructures by Mixing W with Mo in Metal Organic Hybrid Crystal","Crystal Growth & Design","2014","14","7","3249","","10.1021/cg401839m","","","0.71073","MoKα","","0.0611","0.0409","","","0.0827","0.0944","","","","","","1.066","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511219","9.4513","0.0003","13.6988","0.0015","9.4512","0.0009","90","","90","","90","","1223.66","0.18","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0643","0.042","","","0.0759","0.0808","","","","","","0.921","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511220","14.2784","0.001","11.3734","0.0009","14.8822","0.0011","90","","96.67","0.004","90","","2400.4","0.3","120","2","120","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C112 H72 F32 N8 O8 -","8","2","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0403","0.0349","","","0.0802","0.083","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511221","10.7039","0.0018","12.496","0.002","8.8106","0.0015","90","","92.281","0.003","90","","1177.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 F4 N O -","- C14 H9 F4 N O -","- C56 H36 F16 N4 O4 -","4","1","","Panini, Piyush; Chopra, Deepak","Experimental and Theoretical Characterization of Short H-Bonds with Organic Fluorine in Molecular Crystals","Crystal Growth & Design","2014","14","7","3155","","10.1021/cg5004758","","","0.71073","MoKα","","0.0333","0.0318","","","0.0765","0.0775","","","","","","1.072","","","","has coordinates","288505","2023-12-22","15:12:02",""
"4511225","16.346","0.005","17.081","0.005","17.163","0.005","68.749","0.005","86.941","0.005","66.545","0.005","4074","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H58 Gd2 N5 O16 -","- C75 H58 Gd2 N5 O16 -","- C150 H116 Gd4 N10 O32 -","2","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0684","0.054","","","0.155","0.1651","","","","","","1.103","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511226","17.779","0.005","19.772","0.005","20.507","0.005","90","","98.486","0.005","90","","7130","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69 H45 Gd2 N3 O16 -","- C69 H45 Gd2 N3 O16 -","- C276 H180 Gd8 N12 O64 -","4","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0856","0.0539","","","0.1325","0.1557","","","","","","0.937","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511227","15.418","0.005","16.274","0.005","17.876","0.005","109.838","0.005","93.621","0.005","111.141","0.005","3846","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C75 H59 Gd2 N5 O15 -","- C75 H59 Gd2 N5 O15 -","- C150 H118 Gd4 N10 O30 -","2","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.1092","0.07","","","0.1787","0.2063","","","","","","0.958","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511228","25.571","0.005","10.862","0.005","16.025","0.005","90","","105.819","0.005","90","","4282","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H41 Gd N3 O9 -","- C51 H41 Gd N3 O9 -","- C204 H164 Gd4 N12 O36 -","4","1","","Singh, Ruchi; Mrozinski, Jerzy; Bharadwaj, Parimal K.","Solvent-Induced Carboxylate Shift and Movement of an Anthryl Side-Group in Single-Crystal to Single-Crystal Structural Dynamics in a Gadolinium Coordination Polymer","Crystal Growth & Design","2014","14","7","3623","","10.1021/cg5005775","","","0.71073","MoKα","","0.0839","0.0422","","","0.0862","0.1001","","","","","","1.046","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511229","7.7478","0.0002","8.1124","0.0002","13.1768","0.0003","117.03","0.02","81.34","0.02","89","0.02","725.85","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","bupropion hydrochloride","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydrochloride","","- C13 H19 Cl2 N O -","- C13 H19 Cl2 N O -","- C26 H38 Cl4 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.04","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511230","7.9819","0.0004","8.2163","0.0005","13.7557","0.0008","84.51","0.04","84.75","0.04","63.07","0.04","799.4","0.3","298","","298","","","","","","","","","6","P -1","-P 1","2","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C26 H38 Cl2 I2 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","5.47","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511231","8.591","0.0002","14.61","0.0003","25.671","0.0006","90","","92.626","0.002","90","","3218.7","0.13","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C104 H152 Cl8 I8 N8 O8 -","8","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","2.9","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511232","14.6084","0.0003","8.0869","0.0002","27.0461","0.0004","90","","92.76","0.001","90","","3191.43","0.11","298","","298","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C104 H152 Cl8 I8 N8 O8 -","8","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","4.09","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511233","8.2635","0.0005","9.7799","0.0003","20.2113","0.0006","90","","99.98","0.03","90","","1608.68","0.19","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bupropion hydroiodide","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydroiodide","","- C13 H19 Cl I N O -","- C13 H19 Cl I N O -","- C52 H76 Cl4 I4 N4 O4 -","4","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","16.89","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511234","7.5154","0.0003","7.8712","0.0003","13.7033","0.0006","88.12","0.03","86.41","0.02","67.78","0.02","748.91","0.12","298","","298","","","","","","","","","5","P -1","-P 1","2","bupropion hydrochloride","2-(ter-butylamino)-1-(3-chlorophenyl)propan-1-one Hydrochloride","","- C13 H19 Cl2 N O -","- C13 H19 Cl2 N O -","- C26 H38 Cl4 N2 O2 -","2","1","","Vladiskovic, Chiara; Masciocchi, Norberto","Persistency of a Two-Fold Embrace in Crystalline Phases of Bupropion Hydrohalides: A Thoroughab InitioX-ray Powder Diffraction Study","Crystal Growth & Design","2014","14","7","3603","","10.1021/cg5005374","powder diffraction","","1.5418","CuKα","","","","","","","","","","7.4","","","","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511235","11.961","0.002","12.954","0.003","14.825","0.003","114","0.03","99.25","0.03","90.72","0.03","2063.4","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-oxalic acid dihydrate","Haloperidol-oxalic acid hydrate","","- C44 H52 Cl2 F2 N2 O10 -","- C44 H52 Cl2 F2 N2 O10 -","- C88 H104 Cl4 F4 N4 O20 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0393","0.0383","","","0.0963","0.0972","","","","","","1.073","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511236","13.125","0.003","11.996","0.002","26.81","0.005","90","","90.06","0.03","90","","4221.2","1.4","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","ACN solvate of HAL and OA salt","","- C46 H51 Cl2 F2 N3 O8 -","- C46 H51 Cl2 F2 N3 O8 -","- C184 H204 Cl8 F8 N12 O32 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0967","0.085","","","0.2005","0.2114","","","","","","1.233","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511237","8.7151","0.0017","10.152","0.002","14.454","0.003","97.42","0.03","98.87","0.03","114.92","0.03","1118.7","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-fumaric acid salt dihydrate","Haloperidol-fumaric acid salt dihydrate","","- C23 H29 Cl F N O6 -","- C23 H29 Cl F N O6 -","- C46 H58 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0542","0.0494","","","0.1196","0.1234","","","","","","1.124","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511238","8.6026","0.0017","10.585","0.002","13.862","0.003","108.39","0.03","101.96","0.03","99.31","0.03","1136.2","0.5","110","2","110","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-succinic acid salt hydrate","Haloperidol-succinic acid salt hydrate","","- C23 H30 Cl F N O6 -","- C23 H30 Cl F N O6 -","- C46 H60 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0606","0.0587","","","0.1623","0.165","","","","","","1.122","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511239","8.7476","0.0017","10.374","0.002","13.837","0.003","105.57","0.03","100.04","0.03","96.1","0.03","1175.5","0.5","118","2","118","2","","","","","","","","6","P -1","-P 1","2","Haloperidol-Acetic acid salt dihydrate","Haloperidol-Acetic acid salt dihydrate","","- C23 H31 Cl F N O6 -","- C23 H31 Cl F N O6 -","- C46 H62 Cl2 F2 N2 O12 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0403","0.0379","","","0.1032","0.1059","","","","","","1.084","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511240","8.4958","0.0017","10.032","0.002","26.324","0.005","90","","94.46","0.03","90","","2236.8","0.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Haloperidol-Formic acid salt","Haloperidol-Formic acid salt","","- C23 H27 Cl F N O6 -","- C23 H27 Cl F N O6 -","- C92 H108 Cl4 F4 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0523","0.0481","","","0.1232","0.1272","","","","","","1.081","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511241","11.189","0.002","19.89","0.004","12.562","0.003","90","","114.22","0.03","90","","2549.6","1.1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1:1 salt of haloperidol and saccharin","","- C28 H28 Cl F N2 O5 S -","- C28 H28 Cl F N2 O5 S -","- C112 H112 Cl4 F4 N8 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0611","0.0575","","","0.1466","0.1503","","","","","","1.154","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511242","8.4571","0.0017","9.768","0.002","17.989","0.004","87.28","0.03","86.32","0.03","68.48","0.03","1379.2","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","1:1 salt of HAL and CSA","","- C27 H36 Cl F N2 O5 S -","- C27 H36 Cl F N2 O5 S -","- C54 H72 Cl2 F2 N4 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0756","0.0704","","","0.1783","0.1829","","","","","","1.185","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511243","26.571","0.005","9.925","0.002","21.954","0.004","90","","120.59","0.03","90","","4984","2","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Form I of a 1:1 salt of HAL and ACE-H","","- C25 H28 Cl F N2 O6 S -","- C25 H28 Cl F N2 O6 S -","- C200 H224 Cl8 F8 N16 O48 S8 -","8","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0688","0.0668","","","0.1566","0.158","","","","","","1.239","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511244","9.534","0.0019","10.12","0.002","14.36","0.003","88.15","0.03","83.73","0.03","65.69","0.03","1255","0.5","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","Form II of a 1:1 salt of HAL and ACE-H","","- C25 H28 Cl F N2 O6 S -","- C25 H28 Cl F N2 O6 S -","- C50 H56 Cl2 F2 N4 O12 S2 -","2","1","","Aitipamula, Srinivasulu; Wong, Annie B. H.; Chow, Pui Shan; Tan, Reginald B. H.","Pharmaceutical Salts of Haloperidol with Some Carboxylic Acids and Artificial Sweeteners: Hydrate Formation, Polymorphism, and Physicochemical Properties","Crystal Growth & Design","2014","14","5","2542","","10.1021/cg500245e","","","0.71073","MoKα","","0.0475","0.0465","","","0.1091","0.1099","","","","","","1.112","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511245","18.342","0.005","7.221","0.002","21.239","0.006","90","","90.928","0.005","90","","2812.7","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H2 F4 N2 -","- C7 H2 F4 N2 -","- C112 H32 F64 N32 -","16","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1311","0.0615","","","0.1415","0.1698","","","","","","0.983","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511246","7.898","0.005","13.628","0.008","9.602","0.006","90","","112.516","0.012","90","","954.7","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H F7 N2 -","- C8 H F7 N2 -","- C32 H4 F28 N8 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1881","0.066","","","0.1375","0.1744","","","","","","0.997","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511247","13.723","0.015","4.884","0.005","11.259","0.012","90","","100.854","0.018","90","","741.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H2 F4 N2 O -","- C7 H2 F4 N2 O -","- C28 H8 F16 N8 O4 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.0865","0.0402","","","0.0971","0.1152","","","","","","0.99","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511248","11.2581","0.0011","5.4872","0.0005","13.5463","0.0013","90","","101.503","0.002","90","","820.02","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H4 F4 N2 O -","- C8 H4 F4 N2 O -","- C32 H16 F16 N8 O4 -","4","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.0749","0.0362","","","0.0905","0.1045","","","","","","0.995","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511249","5.009","0.001","8.499","0.0017","10.854","0.002","103.871","0.004","101.076","0.004","104.493","0.004","418.41","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H4 F4 N2 O -","- C8 H4 F4 N2 O -","- C16 H8 F8 N4 O2 -","2","1","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1011","0.0482","","","0.1335","0.1815","","","","","","1.002","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511250","24.123","0.005","4.3561","0.0009","18.078","0.004","90","","101.365","0.005","90","","1862.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 F4 N2 O -","- C9 H6 F4 N2 O -","- C72 H48 F32 N16 O8 -","8","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.3535","0.0875","","","0.1909","0.2565","","","","","","0.985","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511251","9.733","0.0013","15.198","0.002","18.133","0.002","90","","94.256","0.003","90","","2674.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H2 F10 N2 O2 -","- C10 H2 F10 N2 O2 -","- C80 H16 F80 N16 O16 -","8","2","","Pérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.; Elguero, José","Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles","Crystal Growth & Design","2014","14","7","3499","","10.1021/cg500442k","","","0.71073","MoKα","","0.1307","0.0522","","","0.1245","0.1465","","","","","","0.998","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511252","10.1046","0.0005","8.5162","0.0005","11.6426","0.0006","90","","109.58","0.03","90","","943.9","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N4 O10 P2 -","- C12 H26 N4 O10 P2 -","- C24 H52 N8 O20 P4 -","2","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0507","0.0435","","","0.1145","0.1213","","","","","","1.04","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511253","22.7176","0.0015","4.5011","0.0003","20.409","0.002","90","","122.834","0.002","90","","1753.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 P2 -","- C14 H18 N4 O9 P2 -","- C56 H72 N16 O36 P8 -","4","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0635","0.0616","","","0.135","0.1362","","","","","","1.234","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511254","9.0366","0.0005","8.0286","0.0004","10.8628","0.0006","90","","107.809","0.003","90","","750.34","0.07","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N4 O6 P2 -","- C12 H18 N4 O6 P2 -","- C24 H36 N8 O12 P4 -","2","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0519","0.0474","","","0.1283","0.1327","","","","","","1.065","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511255","4.8022","0.0005","10.3715","0.001","12.108","0.0011","99.771","0.005","93.061","0.006","99.947","0.005","583.24","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C16 H30 N4 O8 P2 S2 -","- C16 H30 N4 O8 P2 S2 -","- C16 H30 N4 O8 P2 S2 -","1","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0885","0.0796","","","0.2157","0.2222","","","","","","1.097","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511256","7.513","0.002","11.899","0.003","12.077","0.003","95.688","0.013","94.235","0.014","94.317","0.013","1067.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C14 H25 N4 O10 P3 S -","- C14 H25 N4 O10 P3 S -","- C28 H50 N8 O20 P6 S2 -","2","1","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.1574","0.1244","","","0.3369","0.3599","","","","","","1.29","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511257","8.4966","0.0004","10.1445","0.0005","15.0176","0.0007","74.608","0.002","81.509","0.001","66.496","0.002","1143.17","0.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C42 H50 N8 O10 S6 -","- C42 H50 N8 O10 S6 -","- C42 H50 N8 O10 S6 -","1","0.5","","Lie, Sharon; Maris, Thierry; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Phosphonate, Phosphate, and Sulfonate Salts of Bis(amidines)","Crystal Growth & Design","2014","14","7","3658","","10.1021/cg500726v","","","1.54178","CuKα","","0.0364","0.036","","","0.1001","0.1006","","","","","","1.025","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511258","11.0242","0.0003","12.0925","0.0004","13.6836","0.0004","83.092","0.002","69.498","0.001","68.645","0.002","1591.25","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H60 Mn2 N8 O14 -","- C72 H60 Mn2 N8 O14 -","- C72 H60 Mn2 N8 O14 -","1","0.5","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.1108","0.0603","","","0.1695","0.2036","","","","","","1.039","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511259","7.5539","0.0009","8.4979","0.0008","20.6375","0.0012","87.947","0.011","83.923","0.01","72.251","0.012","1254.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Co N2 O13 -","- C22 H30 Co N2 O13 -","- C44 H60 Co2 N4 O26 -","2","1","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.0415","0.0355","","","0.1066","0.1111","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511260","9.721","0.001","10.9804","0.0018","11.479","0.002","97.966","0.01","96.212","0.011","98.244","0.013","1190.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Co N2 O4.5 -","- C24.012 H20 Co N2 O4.5 -","- C48.024 H40 Co2 N4 O9 -","2","1","","Mistri, Soumen; Zangrando, Ennio; Figuerola, Albert; Adhikary, Amit; Konar, Sanjit; Cano, Joan; Manna, Subal Chandra","Syntheses, Crystal Structures, and Magnetic Properties of Metal‒Organic Hybrid Materials of Mn(II)/Co(II): Three-Fold Interpenetrated α-Polonium-like Network in One of Them","Crystal Growth & Design","2014","14","7","3276","","10.1021/cg500162x","","","0.71073","MoKα","","0.1069","0.0626","","","0.1634","0.1855","","","","","","0.975","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511261","14.0339","0.0006","14.0339","0.0006","21.2738","0.001","90","","90","","120","","3628.5","0.3","293","2","293","2","","","","","","","","5","R -3","-R 3","148","Fe-BTC-NMF","","","- C6 H7 Fe N O5 -","- C6 H7 Fe N O5 -","- C108 H126 Fe18 N18 O90 -","18","","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.7107","MoKα","","0.0478","0.0349","","","0.115","0.1363","","","","","","0.93","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511262","19.9724","0.0009","19.9724","0.0009","26.0567","0.0009","90","","90","","120","","9001.4","0.7","293","2","293","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","Fe-Pd-BTC","","","- C22 H4 Fe4 O17 Pd -","- C22 H4 Fe4 O17 Pd -","- C132 H24 Fe24 O102 Pd6 -","6","0.25","","Aiyappa, Harshitha Barike; Saha, Subhadeep; Garai, Bikash; Thote, Jayshri; Kurungot, Sreekumar; Banerjee, Rahul","A Distinctive PdCl2-Mediated Transformation of Fe-Based Metallogels into Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","7","3434","","10.1021/cg500368q","","","0.71073","","","0.1912","0.1344","","","","0.3819","","","","","","1.071","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511263","13.978","0.004","8.0838","0.0019","13.895","0.004","90","","105.158","0.004","90","","1515.4","0.7","98","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 N8 O2 -","- C11 H20 N8 O2 -","- C44 H80 N32 O8 -","4","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.063","0.0577","","","0.1309","0.1344","","","","","","0.992","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511264","18.711","0.003","18.711","0.003","10.843","0.002","90","","90","","120","","3287.6","1","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C90 H108 N108 -","18","1","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0997","0.0927","","","0.2186","0.2337","","","","","","1.015","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511265","8.861","0.007","9.424","0.006","9.49","0.006","69.25","0.06","73.03","0.06","73.75","0.06","694.9","0.9","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H8 N6 O -","- C5 H8 N6 O -","- C20 H32 N24 O4 -","4","2","","Li, Peng; Alduhaish, Osamah; Arman, Hadi D.; Wang, Hailong; Alfooty, Khalid; Chen, Banglin","Solvent Dependent Structures of Hydrogen-Bonded Organic Frameworks of 2,6-Diaminopurine","Crystal Growth & Design","2014","14","7","3634","","10.1021/cg500602x","","","0.71073","MoKα","","0.0653","0.0503","","","0.113","0.1241","","","","","","0.999","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511266","17.0914","0.0009","10.509","0.0005","16.5836","0.0008","90","","110.746","0.001","90","","2785.5","0.2","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N12 O6 -","- C24 H22 Ag2 N12 O6 -","- C96 H88 Ag8 N48 O24 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0712","0.0348","","","0.0516","0.0582","","","","","","0.719","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511267","11.58","0.006","10.831","0.006","17.532","0.009","90","","100.36","0.008","90","","2163","2","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Ag2 F6 N10 O6.5 S2 -","- C28 H26 Ag2 F6 N10 O6.5 S2 -","- C56 H52 Ag4 F12 N20 O13 S4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1272","0.0768","","","0.2175","0.2533","","","","","","0.984","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511268","8.8841","0.0001","18.3185","0.0002","12.7543","0.0002","90","","99.527","0.001","90","","2047.05","0.05","230","2","230","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 N12 O6 -","- C32 H38 Ag2 N12 O6 -","- C64 H76 Ag4 N24 O12 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0802","0.0449","","","0.0927","0.1033","","","","","","0.926","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511269","8.6924","0.0011","24.973","0.003","9.372","0.0012","90","","103.396","0.002","90","","1979.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Ag2 F6 N10 O6 S2 -","- C34 H38 Ag2 F6 N10 O6 S2 -","- C68 H76 Ag4 F12 N20 O12 S4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0468","0.0382","","","0.0911","0.0953","","","","","","0.99","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511270","8.674","0.007","24.68","0.02","9.388","0.008","90","","104.689","0.009","90","","1944","3","230","2","230","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 F4 N10 O4 P2 -","- C32 H38 Ag2 F4 N10 O4 P2 -","- C64 H76 Ag4 F8 N20 O8 P4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.2368","0.0805","","","0.1775","0.2595","","","","","","0.872","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511271","14.516","0.001","14.916","0.0011","23.296","0.0016","90","","90","","90","","5044.1","0.6","230","2","230","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2 -","- C133 H162 Ag8 Cl2 F48 N40 O P8 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1509","0.0819","","","0.2013","0.2482","","","","","","0.959","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511272","14.1019","0.0008","14.708","0.0007","23.1792","0.001","90","","90","","90","","4807.6","0.4","230","2","230","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C33 H40 Ag2 Cl2 N10 O8.25 -","- C132 H160 Ag8 Cl8 N40 O33 -","4","1","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1675","0.0636","","","0.1483","0.1822","","","","","","0.791","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511273","13.631","0.005","14.877","0.005","14.093","0.005","90","","118.414","0.004","90","","2513.6","1.5","230","2","230","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H58 Ag2 F12 N10 O2 P2 -","- C40 H58 Ag2 F12 N10 O2 P2 -","- C80 H116 Ag4 F24 N20 O4 P4 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.1897","0.0761","","","0.1968","0.2794","","","","","","0.902","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511274","8.726","0.002","24.848","0.004","9.261","0.002","90","","106.224","0.023","90","","1928","0.7","290","2","290","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Ag2 Cl2 N10 O8 -","- C32 H38 Ag2 Cl2 N10 O8 -","- C64 H76 Ag4 Cl4 N20 O16 -","2","0.5","","Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution","Crystal Growth & Design","2014","14","7","3510","","10.1021/cg5004484","","","0.71073","MoKα","","0.0791","0.0542","","","0.1458","0.1624","","","","","","1.029","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511275","3.9343","0.0007","5.9336","0.001","12.962","0.004","90","","98.467","0.009","90","","299.29","0.12","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0604","0.0346","","","0.0566","0.063","","","","","","1.181","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511276","7.031","0.004","5.924","0.004","7.441","0.005","90","","103.563","0.017","90","","301.3","0.3","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","2-fluorophenylacetylene","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0804","0.0445","","","0.0853","0.0977","","","","","","1.17","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511277","7.578","0.006","13.024","0.014","6.171","0.005","90","","90","","90","","609.1","1","293","","293","","","","","","","","","3","P n a 21","P 2c -2n","33","","2-fluorophenylacetlyene","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Ridout, Joe; Price, Louise S.; Howard, Judith A. K.; Probert, Michael R.","Polymorphism Arising from Differing Rates of Compression of Liquids","Crystal Growth & Design","2014","14","7","3384","","10.1021/cg500331u","","x-ray","0.56087","AgKα","K-L~3~","0.0788","0.052","","","0.1069","0.1194","","","","","","1.168","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511278","4.9328","0.001","10.137","0.002","29.718","0.006","90","","90","","90","","1486","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 F O6 Zn -","- C16 H11 F O6 Zn -","- C64 H44 F4 O24 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.1122","0.0989","","","0.2811","0.2981","","","","","","1.137","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511279","10.3254","0.0003","17.7175","0.0006","14.3986","0.0004","90","","95.878","0.002","90","","2620.23","0.14","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H54 F2 N8 O14 Zn2 -","- C52 H54 F2 N8 O14 Zn2 -","- C104 H108 F4 N16 O28 Zn4 -","2","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0603","0.0456","","","0.1003","0.1089","","","","","","1.014","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511280","10.4408","0.0008","18.2171","0.0012","15.714","0.0011","90","","98.588","0.007","90","","2955.3","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H27 F N4 O7 Zn -","- C30 H27 F N4 O7 Zn -","- C120 H108 F4 N16 O28 Zn4 -","4","2","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0896","0.0534","","","0.1243","0.1473","","","","","","1.013","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511281","10.7914","0.0003","15.8162","0.0004","17.8982","0.0006","90","","90","","90","","3054.85","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H28 F N4 O7 Zn -","- C30.5 H27 F N4 O7 Zn -","- C122 H108 F4 N16 O28 Zn4 -","4","1","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0776","0.056","","","0.1445","0.1599","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511282","13.068","0.003","15.168","0.003","17.457","0.004","90","","90","","90","","3460.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H62 F2 N8 O13 Zn2 -","- C73 H58 F2 N8 O13 Zn2 -","- C146 H116 F4 N16 O26 Zn4 -","2","0.5","","Ye, Han-Tao; Ren, Chang-Yue; Hou, Guang-Feng; Yu, Ying-Hui; Xu, Xin; Gao, Jin-Sheng; Yan, Peng-Fei; Ng, Seik-Weng","Syntheses, Structures, and Second-Order Nonlinear Optical Properties of Chiral Zinc(II) Coordination Polymers Based on (R)-4-(4-(1-Carboxyethoxy)phenoxy)-3-fluorobenzoic Acid and Effect of the Second Ligand with Imidazole Group","Crystal Growth & Design","2014","14","7","3309","","10.1021/cg500197v","","","0.71073","MoKα","","0.0671","0.0497","","","0.1312","0.142","","","","","","1.037","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511283","8.99","0.002","12.728","0.003","13.252","0.003","91.192","0.004","92.755","0.004","109.691","0.004","1424.9","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 Co3 N12 O21 -","- C54 H54 Co3 N12 O18 -","- C54 H54 Co3 N12 O18 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi","Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture","Crystal Growth & Design","2014","14","7","3300","","10.1021/cg500188n","","","0.71073","MoKα","","0.0945","0.0644","","","0.148","0.1609","","","","","","0.964","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511284","8.7506","0.0015","10.73","0.0018","18.933","0.003","92.997","0.003","103.096","0.003","102.456","0.003","1681.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Cu3 N12 O21 -","- C54 H46 Cu3 N12 O16 -","- C54 H46 Cu3 N12 O16 -","1","0.5","","Rachuri, Yadagiri; Bisht, Kamal Kumar; Suresh, Eringathodi","Two-Dimensional Coordination Polymers Comprising Mixed Tripodal Ligands for Selective Colorimetric Detection of Water and Iodine Capture","Crystal Growth & Design","2014","14","7","3300","","10.1021/cg500188n","","","0.71073","MoKα","","0.0713","0.0545","","","0.1254","0.1329","","","","","","1.029","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511285","7.1589","0.0001","4.6915","0.0001","9.8014","0.0001","90","","90","","90","","329.19","0.009","100","2","100","2","","","","","","","","1","C m c e","-C 2ac 2","64","","","","- I2 -","- I2 -","- I8 -","4","0.25","","Bertolotti, Federica; Shishkina, Anastasia V.; Forni, Alessandra; Gervasio, Giuliana; Stash, Adam I.; Tsirelson, Vladimir G.","Intermolecular Bonding Features in Solid Iodine","Crystal Growth & Design","2014","14","7","3587","","10.1021/cg5005159","","","0.71073","MoKα","","0.022","0.0135","","","","0.0257","0.0172","","","","","1.04","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4511286","26.9301","0.0005","18.769","0.0004","11.8275","0.0003","90","","103.076","0.001","90","","5823.2","0.2","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.07","","","","0.216","","","","","","1.101","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511287","11.623","0.0002","18.7138","0.0004","25.8604","0.0005","90","","100.62","0.0007","90","","5528.56","0.19","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","2","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0581","","","","0.1793","","","","","","1.138","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511288","26.5176","0.0005","18.4139","0.0004","11.9808","0.0003","90","","101.5","0.0007","90","","5732.7","0.2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C224 H248 F24 N32 O48 -","8","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0566","","","","0.1592","","","","","","1.063","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511289","13.1698","0.0003","12.182","0.0003","18.9898","0.0005","90","","97.26","0.0011","90","","3022.19","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H37 F3 N4 O7 -","- C30 H37 F3 N4 O7 -","- C120 H148 F12 N16 O28 -","4","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0845","","","","0.2632","","","","","","1.035","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511290","9.8775","0.0003","13.1864","0.0004","13.4772","0.0004","64.1344","0.0014","84.4473","0.0014","74.7636","0.0014","1523.69","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H37 F3 N4 O7 -","- C31 H37 F3 N4 O7 -","- C62 H74 F6 N8 O14 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0737","","","","0.1919","","","","","","0.908","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511291","9.997","0.0003","13.0749","0.0003","13.4367","0.0003","63.551","0.0012","84.122","0.0012","75.542","0.0012","1522.6","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C56 H62 F6 N8 O12 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0803","","","","0.2454","","","","","","0.962","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511292","10.41717","0.00019","11.4906","0.0003","13.219","0.0003","80.8342","0.0012","80.6465","0.0012","82.4192","0.0012","1532.18","0.06","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 F3 N4 O7 -","- C32 H39 F3 N4 O7 -","- C64 H78 F6 N8 O14 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0611","","","","0.1871","","","","","","1.07","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511293","10.7573","0.0003","11.4193","0.0004","13.7386","0.0004","74.026","0.0016","83.878","0.0014","80.058","0.0015","1595.01","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H31 F3 N4 O6 -","- C28 H31 F3 N4 O6 -","- C56 H62 F6 N8 O12 -","2","1","","Iwata, Kentaro; Kojima, Takashi; Ikeda, Yukihiro","Solid Form Selection of Highly Solvating TAK-441 Exhibiting Solvate-Trapping Polymorphism","Crystal Growth & Design","2014","14","7","3335","","10.1021/cg500240j","","","1.54187","CuKα","","","0.0591","","","","0.1602","","","","","","1","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511294","21.788","0.0002","21.788","0.0002","23.621","0.0002","90","","90","","90","","11213.3","0.17","293","2","293","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","","","","- C68 H64 Cd3 N4 O30 -","- C60 H24 Cd3 O30 -","- C240 H96 Cd12 O120 -","4","0.25","","He, Yuan-Chun; Zhang, Hong-Mei; Liu, Ying-Ying; Zhai, Qiu-Yi; Shen, Qiu-Tong; Song, Shu-Yan; Ma, Jian-Fang","Luminescent Anionic Metal‒Organic Framework with Potential Nitrobenzene Sensing","Crystal Growth & Design","2014","14","7","3174","","10.1021/cg5004353","","","0.71069","MoKα","","0.0853","0.0618","","","0.1693","0.1853","","","","","","1.074","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511295","14.3396","0.0007","3.6211","0.0002","10.6131","0.0005","90","","101.044","0.0007","90","","540.88","0.05","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 N3 O -","- C5 H5 N3 O -","- C20 H20 N12 O4 -","4","1","","Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof","Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics","Crystal Growth & Design","2014","14","7","3453","","10.1021/cg500376z","","","0.71073","MoKα","","0.0212","0.0153","","","0.0237","0.0237","","","","","","1.185","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511296","3.8563","0.0001","15.6302","0.0005","9.3702","0.0003","90","","98.188","0.0006","90","","559.03","0.03","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C24 H24 N8 O4 -","4","1","","Jarzembska, Katarzyna N.; Hoser, Anna A.; Kamiński, Radosław; Madsen, Anders Ø.; Durka, Krzysztof; Woźniak, Krzysztof","Combined Experimental and Computational Studies of Pyrazinamide and Nicotinamide in the Context of Crystal Engineering and Thermodynamics","Crystal Growth & Design","2014","14","7","3453","","10.1021/cg500376z","","","0.71073","MoKα","","0.02","0.0147","","","0.0226","0.0226","","","","","","1.141","","","","has coordinates","179659","2020-10-21","18:00:00",""
"4511297","16.274","0.01","7.323","0.005","36.49","0.02","90","","94.22","0.008","90","","4337","5","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C59 H50 N O -","- C59 H50 N O -","- C236 H200 N4 O4 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.1385","0.0943","","","0.2172","0.2398","","","","","","1.109","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511298","9.5933","0.0005","9.795","0.0005","23.4843","0.0013","99.652","0.001","94.184","0.001","100.588","0.0011","2126.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Compound 2","","","- C56 H40 Cl2 N O -","- C56 H40 Cl2 N O -","- C112 H80 Cl4 N2 O2 -","2","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","0.71073","MoKα","","0.0575","0.0449","","","0.1101","0.1181","","","","","","1.008","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511299","11.7103","0.0003","67.481","0.002","9.4377","0.0003","90","","104.188","0.0017","90","","7230.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H74 N6 O3 -","- C93 H74 N6 O3 -","- C372 H296 N24 O12 -","4","1","","Staehle, Ira O.; Rodríguez-Molina, Braulio; Khan, Saeed I.; Garcia-Garibay, Miguel A.","Engineered Photochromism in Crystalline Salicylidene Anilines by Facilitating Rotation to Reach the Coloredtrans-Keto Form","Crystal Growth & Design","2014","14","7","3667","","10.1021/cg500762a","","","1.54178","CuKα","","0.0773","0.0654","","","0.1719","0.1793","","","","","","1.067","","","","has coordinates,has disorder","179659","2020-10-21","18:00:00",""
"4511300","58.6098","0.0012","7.5624","0.0002","10.7139","0.0004","90","","97.989","0.002","90","","4702.6","0.2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Stanozolol / D-phenyllactic acid cocrystal","(R)-2-hydroxy-3-phenylpropanoic acid compound with acetonitrile and (1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta [5,6]naphtho[1,2-f]indazol-1-ol (1:1:2)","","- C53 H77 N5 O5 -","- C53 H77 N5 O5 -","- C212 H308 N20 O20 -","4","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","1.54184","CuKα","","0.096","0.0837","","","0.2139","0.2237","","","","","","1.086","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511301","10.6644","0.0007","7.2335","0.0005","15.0947","0.001","90","","106.016","0.007","90","","1119.22","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Stanozolol / malonic acid cocrystal","(1S,10aS,12aS)-1,10a,12a-trimethyl-1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol malonic acid","","- C24 H36 N2 O5 -","- C24 H36 N2 O5 -","- C48 H72 N4 O10 -","2","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0524","0.0456","","","0.1053","0.1096","","","","","","1.021","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511302","7.953","0.0006","8.6403","0.0007","10.4582","0.0007","83.337","0.006","86.973","0.006","75.431","0.007","690.63","0.09","293","2","293","2","","","","","","","","4","P 1","P 1","1","Stanozolol / 6-hydroxy-2-naphthoic acid","1S,10aS,12aS)-1,10a,12a-trimethyl- 1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a- hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol 6-hydroxy-2-naphthoic acid","","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","- C32 H40 N2 O4 -","1","1","","Tilborg, Anaëlle; Springuel, Géraldine; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","How Cocrystallization Affects Solid-State Tautomerism: Stanozolol Case Study","Crystal Growth & Design","2014","14","7","3408","","10.1021/cg500358h","","","0.71073","MoKα","","0.0537","0.0465","","","0.1025","0.1073","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511364","5.6081","0.0014","17.574","0.004","23.186","0.006","90","","90","","90","","2285.1","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0755","0.0487","","","0.1017","0.1115","","","","","","0.906","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511365","15.153","0.003","5.9037","0.0014","15.808","0.004","90","","115.745","0.003","90","","1273.8","0.5","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C54 H70 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0806","0.0679","","","0.1747","0.1846","","","","","","0.992","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511366","5.608","0.0011","17.552","0.004","23.94","0.005","90","","90","","90","","2356.5","0.9","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0651","0.0586","","","0.1428","0.1464","","","","","","1.01","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511367","5.6887","0.001","17.493","0.003","24.11","0.004","90","","90","","90","","2399.2","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.116","0.0504","","","0.1056","0.1222","","","","","","0.822","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511368","5.9143","0.0019","16.418","0.005","23.943","0.008","90","","90","","90","","2324.9","1.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1067","0.0843","","","0.1903","0.2025","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511369","6.0401","0.0012","16.22","0.003","24.531","0.005","90","","90","","90","","2403.3","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1461","0.0552","","","0.1052","0.1269","","","","","","0.764","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511370","5.9155","0.0008","16.456","0.002","24.607","0.003","90","","90","","90","","2395.4","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H32 N O5 -","- C104 H128 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0749","0.0685","","","0.189","0.1955","","","","","","1.024","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511371","14.998","0.004","5.9003","0.0014","15.904","0.004","90","","115.428","0.002","90","","1271","0.6","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H35 N O5 -","- C27 H30 N O5 -","- C54 H60 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0967","0.083","","","0.2037","0.2141","","","","","","0.998","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511372","5.85","0.005","11.722","0.005","30.617","0.005","90","0.005","90","0.005","90","0.005","2100","2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O6 -","- C23 H27 N O6 -","- C92 H108 N4 O24 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71069","MoKα","","0.289","0.0627","","","0.1291","0.1903","","","","","","0.776","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511373","5.94","0.003","16.522","0.008","23.753","0.012","90","","90","","90","","2331","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C100 H124 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0973","0.0722","","","0.1795","0.198","","","","","","1.096","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511374","5.9321","0.0016","16.378","0.004","22.766","0.006","90","","90","","90","","2211.9","1","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1043","0.0879","","","0.1926","0.2144","","","","","","1.08","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511375","5.5978","0.0014","17.721","0.004","24.372","0.006","90","","90","","90","","2417.7","1","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1546","0.057","","","0.1128","0.1388","","","","","","0.736","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511376","13.037","0.003","5.7396","0.0011","16.663","0.003","90","","109.786","0.002","90","","1173.2","0.4","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C50 H62 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0938","0.0751","","","0.1827","0.1953","","","","","","0.956","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511377","5.8583","0.0011","16.932","0.003","24.245","0.004","90","","90","","90","","2404.9","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1116","0.0581","","","0.1146","0.1327","","","","","","0.788","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511378","25.011","0.02","5.734","0.004","17.66","0.014","90","","125.098","0.009","90","","2072","3","200","2","200","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H27 N O5 -","- C23 H27 N O5 -","- C92 H108 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.1698","0.0905","","","0.2265","0.2554","","","","","","0.927","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511379","5.3357","0.0005","14.5791","0.0012","27.62","0.002","90","","90","","90","","2148.6","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N O5 -","- C24 H29 N O5 -","- C96 H116 N4 O20 -","4","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0542","0.0521","","","0.1351","0.1372","","","","","","1.03","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511380","14.6875","0.0018","5.8302","0.0007","16.291","0.002","90","","116.784","0.002","90","","1245.3","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C52 H66 N2 O10 -","2","1","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0916","0.0793","","","0.2135","0.2246","","","","","","1.031","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511381","16.429","0.004","5.83","0.0014","25.749","0.006","90","","101.226","0.003","90","","2419.1","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H33 N O5 -","- C26 H33 N O5 -","- C104 H132 N4 O20 -","4","2","","Kodama, Koichi; Shitara, Hiroaki; Hirose, Takuji","Chirality Switching in Optical Resolution of Mandelic Acid in C1‒C4 Alcohols: Elucidation of Solvent Effects Based on X-ray Crystal Structures of Diastereomeric Salts","Crystal Growth & Design","2014","14","7","3549","","10.1021/cg500483p","","","0.71073","MoKα","","0.0996","0.0611","","","0.141","0.162","","","","","","0.928","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511382","26.535","0.005","26.535","0.005","20.282","0.005","90","0.005","90","0.005","120","0.005","12367","5","100","","100","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H228 I2 N12 O30 Sn6 -","- C120 H228 I2 N12 O30 Sn6 -","- C360 H684 I6 N36 O90 Sn18 -","3","0.166667","","Mohapatra, Chandrajeet; Tripathi, Sarita; Anantharaman, Ganapathi; Chandrasekhar, Vadapalli","A Hexameric Hexagonal Organotin Macrocycle. Supramolecular Entrapment of an Iodide‒Iodide Short Contact","Crystal Growth & Design","2014","14","7","3182","","10.1021/cg500633n","","","0.71073","MoKα","","0.0982","0.081","","","0.2156","0.2342","","","","","","1.032","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511383","29.311","0.003","5.9604","0.0005","21.7006","0.0019","90","","94.511","0.002","90","","3779.5","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H36 Cd F3 N3 O5 -","- C47 H36 Cd F3 N3 O5 -","- C188 H144 Cd4 F12 N12 O20 -","4","0.5","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0558","0.0484","","","0.1213","0.1311","","","","","","1.094","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511384","41.702","0.005","9.8988","0.0013","18.444","0.002","90","","103.422","0.003","90","","7405.7","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H60 Cd3 F2 N6 O16 -","- C62 H60 Cd3 F2 N6 O16 -","- C248 H240 Cd12 F8 N24 O64 -","4","0.5","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.1403","0.0862","","","0.2212","0.2525","","","","","","1.022","","","","has coordinates,has disorder","179660","2020-10-21","18:00:00",""
"4511385","11.7447","0.0011","21.5208","0.0019","28.109","0.003","90","","90","","90","","7104.7","1.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H33 Cd N5 O10 -","- C37 H33 Cd N5 O10 -","- C296 H264 Cd8 N40 O80 -","8","1","","Medishetty, Raghavender; Tandiana, Rika; Vittal, Jagadese J.","Stepwise Host‒Guest [2 + 2] Photoreaction in a Hydrogen-Bonded One-Dimensional Coordination Polymer to a Two-Dimensional Layered Structure","Crystal Growth & Design","2014","14","7","3186","","10.1021/cg500641m","","","0.71073","MoKα","","0.0767","0.0547","","","0.1057","0.1136","","","","","","1.089","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511386","12.1134","0.001","9.2965","0.0008","12.0316","0.001","90","","100.35","0.002","90","","1332.86","0.19","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 Cu N O5 -","- C11 H17 Cu N O5 -","- C44 H68 Cu4 N4 O20 -","4","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71073","MoKα","","0.0637","0.0398","","","0.0978","0.112","","","","","","1.054","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511387","8.7497","0.0001","9.2024","0.0002","16.6861","0.0002","88.893","0.001","79.897","0.001","64.008","0.001","1186.4","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H68 Cu2 N4 O20 -","- C44 H68 Cu2 N4 O20 -","- C44 H68 Cu2 N4 O20 -","1","0.5","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71069","MoKα","","0.0618","0.0434","","","0.1115","0.1174","","","","","","1.128","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511388","12.7095","0.0006","8.7854","0.0006","12.0498","0.0007","90","","101.689","0.002","90","","1317.55","0.13","303","2","303","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cu N O5 -","- C10 H17 Cu N O5 -","- C40 H68 Cu4 N4 O20 -","4","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71069","MoKα","","0.0644","0.0428","","","0.0973","0.1057","","","","","","1.069","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511389","7.7386","0.0008","8.5225","0.0008","13.6748","0.0015","85.096","0.005","85.617","0.005","63.198","0.004","801.32","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H23 Cu N O5 -","- C14 H23 Cu N O5 -","- C28 H46 Cu2 N2 O10 -","2","1","","Dias, Sara S. P.; André, Vânia; Kłak, Julia; Duarte, M. Teresa; Kirillov, Alexander M.","Topological Diversity of Supramolecular Networks Constructed from Copper(II) Aminoalcohol Blocks and 2,6-Naphthalenedicarboxylate Linkers: Self-Assembly Synthesis, Structural Features, and Magnetic Properties","Crystal Growth & Design","2014","14","7","3398","","10.1021/cg500716d","","","0.71073","MoKα","","0.0692","0.0567","","","0.1397","0.1499","","","","","","1.055","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511390","24.1972","0.0016","5.1143","0.0003","17.6687","0.0012","90","","121.267","0.001","90","","1869","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 N O -","- C10 H13 N O -","- C80 H104 N8 O8 -","8","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","0.71073","MoKα","","0.053","0.0412","","","0.1123","0.1185","","","","","","1.001","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511391","5.1916","0.0001","9.4525","0.0002","10.0367","0.0002","96.326","0.001","102.938","0.001","104.998","0.001","456.226","0.016","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0323","0.0321","","","0.0815","0.0818","","","","","","1","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511392","5.1941","0.0001","9.4531","0.0001","10.0232","0.0001","96.343","0.001","102.945","0.001","104.938","0.001","455.971","0.012","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H13 N O -","- C10 H13 N O -","- C20 H26 N2 O2 -","2","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.029","0.0288","","","0.075","0.0755","","","","","","1.001","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511393","7.3699","0.0009","22.592","0.003","11.7988","0.0015","90","","90.308","0.002","90","","1964.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C88 H88 N8 O16 -","8","2","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","0.71073","MoKα","","0.0637","0.049","","","0.1314","0.1406","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511394","6.70721","0.00007","7.01427","0.00007","10.01819","0.0001","90","","102.64","0.0003","90","","459.895","0.008","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0266","0.0266","","","0.0686","0.0686","","","","","","1.006","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511395","6.7076","0.0005","7.0112","0.0005","10.021","0.0007","90","","102.635","0.002","90","","459.86","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0257","0.0257","","","0.0688","0.0688","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511396","6.7078","0.0001","7.1693","0.0001","19.0492","0.0003","90","","90","","90","","916.08","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.0258","0.0258","","","0.0647","0.0647","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511397","6.7089","0.0001","7.1714","0.0001","19.048","0.0002","90","","90","","90","","916.44","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C44 H44 N4 O8 -","4","1","","Khrustalev, Victor N.; Sandhu, Bhupinder; Bentum, Samuel; Fonari, Alexandr; Krivoshein, Arcadius V.; Timofeeva, Tatiana V.","Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide","Crystal Growth & Design","2014","14","7","3360","","10.1021/cg500284q","","","1.54178","CuKα","","0.025","0.0249","","","0.0624","0.0624","","","","","","1.002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511398","33.1272","0.0012","65.1158","0.001","19.1804","0.0003","90","","90","","90","","41374.1","1.8","100","0.11","100","0.11","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C24 H8 O16 S4 Zn3 -","- C24 O16 S4 Zn3 -","- C768 O512 S128 Zn96 -","32","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.1258","0.1166","","","0.2954","0.3022","","","","","","1.042","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511399","14.6561","0.0005","23.4491","0.0006","16.0392","0.0007","90","","90","","90","","5512.2","0.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C24 H8 O16 S4 Zn3 -","- C24 H8 O16 S4 Zn3 -","- C96 H32 O64 S16 Zn12 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0467","0.0387","","","0.1078","0.1121","","","","","","1.025","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511400","15.5168","0.0007","16.779","0.0008","18.7394","0.0011","94.142","0.004","113.527","0.005","110.215","0.004","4070.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 N6 O38 S8 Zn7 -","- C66 H58 N6 O38 S8 Zn7 -","- C66 H58 N6 O38 S8 Zn7 -","1","0.5","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Organic Cation Templated Synthesis of Three Zinc‒2,5-Thiophenedicarboxylate Frameworks for Selective Gas Sorption","Crystal Growth & Design","2014","14","7","3493","","10.1021/cg500436g","","","0.71073","MoKα","","0.0793","0.0518","","","0.1248","0.1352","","","","","","0.892","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511401","7.813","0.0007","7.9406","0.0007","11.6727","0.001","100.09","0.001","95.843","0.001","99.374","0.001","697.09","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Co N3 O6 -","- C14 H12 Co N3 O6 -","- C28 H24 Co2 N6 O12 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0351","0.0322","","","0.0962","0.0983","","","","","","1.006","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511402","18.793","0.003","19.363","0.003","14.588","0.0019","90","","119.792","0.002","90","","4606.8","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 Co N5 O8 -","- C21 H21 Co N5 O8 -","- C168 H168 Co8 N40 O64 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0638","0.0435","","","0.1198","0.1322","","","","","","1.024","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511403","14.9376","0.0012","10.3231","0.0008","20.0556","0.0015","90","","111.065","0.001","90","","2886","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H14 Co N3 O6 -","- C15 H14 Co N3 O6 -","- C120 H112 Co8 N24 O48 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0497","0.043","","","0.1341","0.1383","","","","","","1.04","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511404","8.5578","0.0013","10.1318","0.0015","11.8526","0.0017","69.808","0.002","78.753","0.003","74.67","0.002","924.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N3 O8 -","- C16 H20 Co N3 O8 -","- C32 H40 Co2 N6 O16 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0679","0.0471","","","0.1131","0.1247","","","","","","1.034","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511405","23.8537","0.0017","10.4096","0.0007","19.8203","0.0013","90","","90.172","0.002","90","","4921.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 Co N5 O6 -","- C25 H25 Co N5 O6 -","- C200 H200 Co8 N40 O48 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0336","0.0275","","","0.0697","0.0721","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511406","10.1586","0.0004","10.22","0.0005","12.7787","0.0006","79.125","0.001","71.981","0.001","72.383","0.001","1195.83","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 Co N4 O9 -","- C23 H19 Co N4 O9 -","- C46 H38 Co2 N8 O18 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0378","0.0357","","","0.1084","0.11","","","","","","1.043","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511407","9.5278","0.0007","10.1157","0.0007","17.7684","0.0013","97.959","0.006","90.3","0.006","110.198","0.007","1589.1","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H38 Co N4 O12 -","- C29 H37 Co N4 O12 -","- C58 H74 Co2 N8 O24 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0748","0.0558","","","0.1523","0.1685","","","","","","1.007","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511408","19.286","0.004","19.445","0.004","14.322","0.003","90","","121.182","0.003","90","","4595","1.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Co N4 O8 -","- C21 H19 Co N4 O8 -","- C168 H152 Co8 N32 O64 -","8","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0545","0.0367","","","0.1001","0.1085","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511409","10.1112","0.0019","15.943","0.003","16.764","0.003","111.325","0.003","103.68","0.004","102.598","0.003","2303.8","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Co2 N8 O16 -","- C44 H44 Co2 N8 O16 -","- C88 H88 Co4 N16 O32 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.1018","0.0602","","","0.1434","0.1615","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511410","11.1531","0.0013","12.9963","0.0015","13.4198","0.0015","75.916","0.002","75.109","0.002","70.039","0.002","1740.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 Co2 N6 O12 -","- C32 H39 Co2 N6 O12 -","- C64 H78 Co4 N12 O24 -","2","1","","Wang, Xiu-li; Sui, Fang-fang; Lin, Hong-yan; Zhang, Ju-wen; Liu, Guo-cheng","Multifunctional Cobalt(II) Coordination Polymers Tuned by Flexible Bis(pyridylamide) Ligands with Different Spacers and Polycarboxylates","Crystal Growth & Design","2014","14","7","3438","","10.1021/cg500371n","","","0.71073","MoKα","","0.0787","0.0489","","","0.103","0.111","","","","","","1.009","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511411","18.485","0.003","8.2738","0.0015","8.26","0.0015","90","","114.461","0.002","90","","1149.9","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H14 O8 P2 Zn -","- C4 H14 O8 P2 Zn -","- C16 H56 O32 P8 Zn4 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.019","0.0177","","","0.0461","0.0468","","","","","","1.12","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511412","20.388","0.004","8.2663","0.0013","8.1857","0.0013","90","","102.72","0.013","90","","1345.7","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 O8 P2 Zn -","- C6 H18 O8 P2 Zn -","- C24 H72 O32 P8 Zn4 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.052","0.035","","","0.0765","0.0856","","","","","","1.037","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511413","8.595","0.007","5.056","0.004","18.096","0.015","90","","93.344","0.009","90","","785","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H8 O6 P2 Zn -","- C3 H8 O6 P2 Zn -","- C12 H32 O24 P8 Zn4 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0327","0.0289","","","0.0778","0.0794","","","","","","1.084","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511414","8.651","0.002","5.0283","0.0012","22.598","0.005","90","","93.046","0.003","90","","981.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H12 O6 P2 Zn -","- C5 H12 O6 P2 Zn -","- C20 H48 O24 P8 Zn4 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0479","0.0357","","","0.0892","0.0936","","","","","","1.049","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511415","19.397","0.003","27.62","0.005","5.1655","0.0009","90","","90","","90","","2767.4","0.8","100","","100","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C6 H22 O16 P4 Zn3 -","- C6 H14 O16 P4 Zn3 -","- C24 H56 O64 P16 Zn12 -","4","","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","x-ray","0.7749","synchrotron","","0.0491","0.045","","","0.1188","0.1212","","","","","","1.062","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511416","24.408","0.004","27.827","0.005","5.1509","0.0007","90","","90","","90","","3498.5","1","110","","110","2","","","","","","","","5","P m m n","-P 2ab 2a","59","","","","- C10 H30 O16 P4 Zn3 -","- C10 H22 O16 P4 Zn3 -","- C40 H88 O64 P16 Zn12 -","4","","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.0918","0.0613","","","0.1504","0.1608","","","","","","1.027","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511417","21.775","0.004","4.8267","0.0008","9.5273","0.0017","90","","95.233","0.002","90","","997.2","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H9 O6 P2 Zn2 -","- C5 H9 O6 P2 Zn2 -","- C20 H36 O24 P8 Zn8 -","4","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0348","0.0335","","","0.0894","0.0907","","","","","","1.078","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511418","8.685","0.0013","9.9739","0.0015","12.8831","0.0019","100.409","0.002","104.701","0.002","90.945","0.002","1059.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 O12 P4 Zn3 -","- C12 H26 O12 P4 Zn3 -","- C24 H52 O24 P8 Zn6 -","2","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0436","0.0354","","","0.0977","0.1017","","","","","","1.092","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511419","10.5536","0.0009","17.313","0.0011","10.3937","0.0007","90","","99.502","0.005","90","","1873","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H42 O26 P6 Zn5 -","- C12 H38 O26 P6 Zn5 -","- C24 H76 O52 P12 Zn10 -","2","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.71073","MoKα","","0.1543","0.1187","","","0.3012","0.3346","","","","","","1.279","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511420","23.215","0.005","17.112","0.005","10.343","0.002","90","","94.529","0.01","90","","4096","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H52 O28 P6 Zn5 -","- C17 H44 O27 P6 Zn5 -","- C68 H176 O108 P24 Zn20 -","4","1","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.6888","synchrotron","","0.084","0.0614","","","0.1575","0.1725","","","","","","1.017","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511421","13.045","0.002","17.192","0.003","10.3905","0.0018","90","","96.914","0.003","90","","2313.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 O28 P6 Zn5 -","- C20 H50 O28 P6 Zn5 -","- C40 H100 O56 P12 Zn10 -","2","0.5","","Gagnon, Kevin J.; Teat, Simon J.; Beal, Zachary J.; Embry, Alyssa M.; Strayer, Megan E.; Clearfield, Abraham","Isoreticular Investigation into the Formation of Four New Zinc Alkylbisphosphonate Families","Crystal Growth & Design","2014","14","7","3612","","10.1021/cg500568e","","","0.7749","synchrotron","","0.0822","0.0476","","","0.1112","0.1261","","","","","","0.999","","","","has coordinates,has disorder","179661","2020-10-21","18:00:00",""
"4511422","52.533","0.004","28.74","0.002","16.9133","0.0014","90","","98.472","0.001","90","","25257","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H116 Ce4 N22 O39 -","- C75 H51 Ce4 N13 O30 -","- C600 H408 Ce32 N104 O240 -","8","1","","Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul","Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning","Crystal Growth & Design","2014","14","7","3541","","10.1021/cg500815v","","","0.71073","MoKα","","0.1155","0.0901","","","0.2362","0.2567","","","","","","0.893","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511423","27.541","0.006","11.126","0.002","16.991","0.003","90","","99.01","0.03","90","","5142.2","1.8","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H48 Ce2 N10 O17 -","- C48 H48 Ce2 N10 O17 -","- C192 H192 Ce8 N40 O68 -","4","1","","Ayhan, Ozan; Malaestean, Iurie L.; Ellern, Arkady; van Leusen, Jan; Baca, Svetlana G.; Kögerler, Paul","Assembly of Cerium(III) 2,2′-Bipyridine-5,5′-dicarboxylate-based Metal‒Organic Frameworks by Solvent Tuning","Crystal Growth & Design","2014","14","7","3541","","10.1021/cg500815v","","","0.71073","MoKα","","0.1056","0.0922","","","0.2025","0.2097","","","","","","1.165","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511424","27.1979","0.0009","27.1979","0.0009","15.4999","0.0004","90","","90","","120","","9929.6","0.5","293","2","293","2","","","","","","","","6","R -3 m :H","-R 3 2""","166","","[Tetrakis(mu-adenine-kN3:kN9)bis(bromido)dicopper(II)]bromide- methanol (1/2)]","","- C22 H28 Br4 Cu2 N20 O2 -","- C20 H20 Br4 Cu2 N20 -","- C180 H180 Br36 Cu18 N180 -","9","0.25","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.1112","0.0927","","","0.2997","0.3107","","","","","","1.234","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511425","22.2245","0.0018","13.8069","0.001","7.0204","0.0006","90","","108.28","0.006","90","","2045.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Bis(mu-adenine-kN3:kN9)bis(mu-chlorido)di(chlorido)dicopper(II)]- (methanol) (1/2)]","","- C12 H18 Cl4 Cu2 N10 O2 -","- C12 H10 Cl4 Cu2 N10 O2 -","- C48 H40 Cl16 Cu8 N40 O8 -","4","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.1119","0.0778","","","0.2048","0.2342","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511426","9.1344","0.0007","11.0778","0.001","13.0778","0.0011","90","","103.873","0.007","90","","1284.73","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Bis(mu-adenine-kN3:kN9)bis(mu-bromido)di(bromido)dicopper(II)]- (propan-1-ol) (1/2)]","","- C16 H26 Br4 Cu2 N10 O2 -","- C16 H26 Br4 Cu2 N10 O2 -","- C32 H52 Br8 Cu4 N20 O4 -","2","0.5","","Thomas-Gipson, Jintha; Beobide, Garikoitz; Castillo, Oscar; Fröba, Michael; Hoffmann, Frank; Luque, Antonio; Pérez-Yáñez, Sonia; Román, Pascual","Paddle-Wheel Shaped Copper(II)-Adenine Discrete Entities As Supramolecular Building Blocks To Afford Porous Supramolecular Metal‒Organic Frameworks (SMOFs)","Crystal Growth & Design","2014","14","8","4019","","10.1021/cg500634y","","","0.71073","MoKα","","0.0688","0.0504","","","0.0927","0.1005","","","","","","1.119","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511427","13.178","0.01","12.026","0.009","13.179","0.01","90","","90","","90","","2089","3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H10 N12 O14 -","- C12 H10 N12 O14 -","- C48 H40 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0465","0.0403","","","0.0923","0.0962","","","","","","1.009","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511428","13.405","0.002","7.9724","0.0014","20.951","0.004","90","","94.158","0.004","90","","2233.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N12 O14 -","- C16 H12 N12 O14 -","- C64 H48 N48 O56 -","4","1","","Zhang, Chaoyang; Yang, Zongwei; Zhou, Xiaoqing; Zhang, Chenghua; Ma, Yu; Xu, Jinjiang; Zhang, Qi; Nie, Fude; Li, Hongzhen","Evident Hydrogen Bonded Chains Building CL-20-Based Cocrystals","Crystal Growth & Design","2014","14","8","3923","","10.1021/cg500796r","","","0.71073","MoKα","","0.0724","0.0529","","","0.1334","0.1467","","","","","","1.014","","","","has coordinates","179661","2020-10-21","18:00:00",""
"4511532","7.1208","0.0009","8.4113","0.0011","13.02","0.002","72.212","0.012","87.797","0.011","74.341","0.011","714.17","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O Sn -","- C12 H9 Cl3 N2 O Sn -","- C24 H18 Cl6 N4 O2 Sn2 -","2","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0794","0.0526","","","0.1076","0.1181","","","","","","1.025","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511533","8.5178","0.0003","20.4772","0.0007","10.4144","0.0004","90","","93.75","0.003","90","","1812.6","0.11","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 Br3 N O2 Sn -","- C14 H12 Br3 N3 O Sn -","- C56 H48 Br12 N12 O4 Sn4 -","4","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.056","0.0414","","","0.0908","0.0973","","","","","","1.049","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511534","17.6097","0.0007","12.5384","0.0003","17.9005","0.0008","90","","117.701","0.005","90","","3499.4","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N2 O Sn -","- C16 H18 Cl2 N2 O Sn -","- C128 H144 Cl16 N16 O8 Sn8 -","8","2","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0515","0.0301","","","0.0608","0.0708","","","","","","1.053","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511535","9.3066","0.0004","9.524","0.0004","14.0942","0.0005","104.361","0.003","94.016","0.003","98.977","0.003","1187.65","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl2 N2 O Sn -","- C25 H22 Cl2 N2 O Sn -","- C50 H44 Cl4 N4 O2 Sn2 -","2","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0232","0.0199","","","0.0484","0.0502","","","","","","1.033","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511536","12.5299","0.0008","12.7797","0.0007","19.9032","0.0013","90","","90","","90","","3187.1","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H9 Br3 N2 S Sn -","- C12 H9 Br3 N2 S Sn -","- C96 H72 Br24 N16 S8 Sn8 -","8","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.1358","0.0549","","","0.0634","0.0799","","","","","","0.984","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511537","12.9592","0.0004","10.4092","0.0003","14.5307","0.0006","90","","114.255","0.005","90","","1787.09","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cl2 N2 S Sn -","- C16 H18 Cl2 N2 S Sn -","- C64 H72 Cl8 N8 S4 Sn4 -","4","1","","Guzmán-Percástegui, Edmundo; Alvarado-Rodríguez, José G.; Cruz-Borbolla, Julián; Andrade-López, Noemí; Vázquez-García, Rosa A.; Nava-Galindo, Rigo N.; Pandiyan, Thangarasu","Subtle C‒H···Hal (Hal = Cl, Br) Bonding as Predominant Synthon in the Assembly of Supramolecular Architectures Based on Luminescent Tin(IV) Complexes. Crystallography, Hirshfeld Surfaces, DFT Calculations, and Fluorescence","Crystal Growth & Design","2014","14","8","3742","","10.1021/cg401818k","","","0.7107","MoKα","","0.0354","0.0299","","","0.0672","0.0714","","","","","","1.064","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511538","6.8426","0.0005","20.0479","0.0014","21.4663","0.0015","90","","90","","90","","2944.7","0.4","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H26 N8 O9 S2 -","- C18 H26 N8 O9 S2 -","- C72 H104 N32 O36 S8 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Carter, Damien J.; Nichols, Shane; Ward, Michael D.; Raiteri, Paolo; Rohl, Andrew L.; Kahr, Bart","Structural Correspondence of Solution, Liquid Crystal, and Crystalline Phases of the Chromonic Mesogen Sunset Yellow","Crystal Growth & Design","2014","14","8","4166","","10.1021/cg500752x","","","0.71073","MoKα","","0.0754","0.0584","","","0.1673","0.1771","","","","","","1.095","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511539","7.0104","0.0003","9.1585","0.0006","10.9366","0.0006","80.332","0.006","73.993","0.004","84.208","0.004","664.26","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","1","0.5","","Lemouchi, Cyprien; Yamamoto, Hiroshi M.; Kato, Reizo; Simonov, Sergey; Zorina, Leokadiya; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Reversible Control of Crystalline Rotors by Squeezing Their Hydrogen Bond Cloud Across a Halogen Bond-Mediated Phase Transition","Crystal Growth & Design","2014","14","7","3375","","10.1021/cg5002978","","","0.71073","MoKα","","0.0679","0.0429","","","0.112","0.12","","","","","","1.085","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4511540","9.0986","0.0005","11.2261","0.0007","13.7829","0.0006","112.913","0.005","96.345","0.005","93.942","0.005","1279.14","0.13","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H12 F6 I4 -","- C24 H12 F6 I4 -","- C48 H24 F12 I8 -","2","1","","Lemouchi, Cyprien; Yamamoto, Hiroshi M.; Kato, Reizo; Simonov, Sergey; Zorina, Leokadiya; Rodríguez-Fortea, Antonio; Canadell, Enric; Wzietek, Pawel; Iliopoulos, Konstantinos; Gindre, Denis; Chrysos, Michael; Batail, Patrick","Reversible Control of Crystalline Rotors by Squeezing Their Hydrogen Bond Cloud Across a Halogen Bond-Mediated Phase Transition","Crystal Growth & Design","2014","14","7","3375","","10.1021/cg5002978","","","0.71073","MoKα","","0.0425","0.0262","","","0.0491","0.0514","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511541","9.835","0.002","12.723","0.003","14.592","0.004","84.277","0.003","87.288","0.003","76.841","0.003","1768.5","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H38 Cl4 N4 O12 Zn -","- C28 H38 Cl4 N4 O12 Zn -","- C56 H76 Cl8 N8 O24 Zn2 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0655","0.0489","","","0.1416","0.1544","","","","","","1.065","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511542","9.0372","0.0012","12.5384","0.0016","15.1211","0.0019","89.705","0.002","86.941","0.002","84.171","0.002","1702.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H36 Cl2 N6 O6 S2 Zn2 -","- C28 H36 Cl2 N6 O6 S2 Zn2 -","- C56 H72 Cl4 N12 O12 S4 Zn4 -","2","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0608","0.0432","","","0.1198","0.1291","","","","","","1.088","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511543","16.9993","0.0006","7.5278","0.0003","13.5447","0.0005","90","","100.037","0.001","90","","1706.75","0.11","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N5 O2 Zn -","- C15 H16 Cl N5 O2 Zn -","- C60 H64 Cl4 N20 O8 Zn4 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0496","0.0347","","","0.0864","0.0944","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511544","8.8137","0.0007","14.6565","0.0011","25.2937","0.0019","90","","96.03","0.003","90","","3249.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H34 Cl2 N10 O5 Zn2 -","- C26 H34 Cl2 N10 O5 Zn2 -","- C104 H136 Cl8 N40 O20 Zn8 -","4","1","","Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis","Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes","Crystal Growth & Design","2014","14","8","4111","","10.1021/cg500717n","","","0.71073","MoKα","","0.0997","0.0623","","","0.1425","0.1599","","","","","","1.092","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511545","6.6714","0.0011","9.134","0.0015","37.65","0.006","90","","90","","90","","2294.3","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudinium hemiOxalate","","","- C18 H24 N6 O10 S2 -","- C18 H24 N6 O10 S2 -","- C72 H96 N24 O40 S8 -","4","1","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.038","0.0317","","","0.0706","0.074","","","","","","1.028","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511546","8.6175","0.0009","24.679","0.003","13.4297","0.0014","90","","101.002","0.001","90","","2803.6","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Lamivudinium Oxalate monohydrate","","","- C10 H15 N3 O8 S -","- C10 H15 N3 O8 S -","- C80 H120 N24 O64 S8 -","8","4","","Perumalla, Sathyanarayana R.; Sun, Changquan C.","Design and Preparation of a 4:1 Lamivudine‒Oxalic Acid CAB Cocrystal for Improving the Lamivudine Purification Process","Crystal Growth & Design","2014","14","8","3990","","10.1021/cg5005825","","","0.71073","MoKα","","0.0509","0.039","","","0.0819","0.0884","","","","","","1.014","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511575","5.3553","0.001","7.685","0.0015","10.951","0.002","104.448","0.003","90.485","0.003","100.058","0.003","429.09","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Cu N2 O12 U -","- C14 H10 Cu N2 O12 U -","- C14 H10 Cu N2 O12 U -","1","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.025","0.0249","","","0.051","0.0511","","","","","","1.045","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511576","8.4363","0.0011","13.1485","0.0017","17.833","0.002","90","","90","","90","","1978.1","0.4","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C14 H12 Cu N2 O13 U -","- C14 H12 Cu N2 O13 U -","- C56 H48 Cu4 N8 O52 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0611","0.0411","","","0.0931","0.1023","","","","","","0.992","","","","has coordinates,has disorder","179662","2020-10-21","18:00:00",""
"4511577","9.344","0.004","10.249","0.004","11.295","0.005","90.275","0.006","113.058","0.006","110.556","0.006","919.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Cu N2 O13 U -","- C14 H11 Cu N2 O13 U -","- C28 H22 Cu2 N4 O26 U2 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","CuPYDC Metalloligands and Postsynthetic Rearrangement/Metalation as Routes to Bimetallic Uranyl Containing Hybrid Materials: Syntheses, Structures, and Fluorescence","Crystal Growth & Design","2014","14","8","4094","","10.1021/cg5007132","","x-ray","0.71073","MoKα","","0.0308","0.0242","","","0.045","0.0478","","","","","","1.038","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511578","19.7","0.008","7.072","0.003","25.731","0.01","90","","107.705","0.006","90","","3415","2","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 B I N2 O2 -","- C18 H14 B I N2 O2 -","- C144 H112 B8 I8 N16 O16 -","8","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0725","0.054","","","0.1271","0.139","","","","","","1.09","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511579","7.095","0.004","10.015","0.006","13.341","0.008","90.954","0.013","95.037","0.011","93.988","0.014","941.8","1","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 B Br N2 O3 -","- C18 H13 B Br N2 O3 -","- C36 H26 B2 Br2 N4 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1205","0.0732","","","0.2001","0.2096","","","","","","0.882","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511580","11.092","0.006","7.246","0.004","21.061","0.013","90","","99.211","0.011","90","","1670.9","1.7","301","2","301","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 B Cl N O2 -","- C19 H15 B Cl N O2 -","- C76 H60 B4 Cl4 N4 O8 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1246","0.0665","","","0.1341","0.1584","","","","","","1.073","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511581","8.996","0.005","12.502","0.006","14.051","0.007","109.397","0.004","94.074","0.006","110.188","0.006","1367.9","1.2","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 B I N4 O3 -","- C30 H24 B I N4 O3 -","- C60 H48 B2 I2 N8 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0501","0.0376","","","0.0896","0.094","","","","","","0.93","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511582","13.251","0.005","6.858","0.003","18.594","0.008","90","","103.5","0.07","90","","1643","1.3","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Iodophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B I N2 O3 -","- C16 H16 B I N2 O3 -","- C64 H64 B4 I4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0509","0.0395","","","0.0886","0.1022","","","","","","1.085","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511583","7.384","0.008","11.183","0.009","12.07","0.002","110.297","0.001","103.06","0.002","94.72","0.002","896.4","1.2","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B I N O2 -","- C19 H15 B I N O2 -","- C38 H30 B2 I2 N2 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1111","0.092","","","0.2804","0.2866","","","","","","1.021","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511584","8.982","0.006","12.482","0.008","13.945","0.008","109.23","0.005","95.719","0.005","110.223","0.007","1344.4","1.5","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H24 B Br N4 O3 -","- C30 H24 B Br N4 O3 -","- C60 H48 B2 Br2 N8 O6 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1251","0.0519","","","0.0944","0.1115","","","","","","0.826","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511585","6.939","0.004","9.959","0.005","12.125","0.007","80.167","0.014","87.694","0.015","83.066","0.015","819.4","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0727","0.0405","","","0.0813","0.0888","","","","","","0.84","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511586","7.202","0.002","34.347","0.008","21.339","0.005","90","","105.66","0.008","90","","5083","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-Iodophenylboronic acid-4,7-phenanthroline complex","","- C24 H20 B2 I2 N2 O4 -","- C24 H20 B2 I2 N2 O4 -","- C192 H160 B16 I16 N16 O32 -","8","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0749","0.042","","","0.1002","0.1172","","","","","","1","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511587","7.621","0.004","9.054","0.005","11.668","0.006","80.58","0.02","88.21","0.02","84.07","0.02","789.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Bromophenylboronic acid-4,7-phenanthroline complex","","- C18 H14 B Br N2 O2 -","- C18 H14 B Br N2 O2 -","- C36 H28 B2 Br2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0414","0.0289","","","0.065","0.0679","","","","","","0.936","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511588","7.218","0.004","11.132","0.006","11.861","0.007","109.402","0.01","104.453","0.004","94.515","0.005","856.7","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 B Br N O2 -","- C19 H15 B Br N O2 -","- C38 H30 B2 Br2 N2 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0685","0.0481","","","0.1114","0.1152","","","","","","0.834","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511589","7.506","0.002","9.118","0.002","11.635","0.004","79.24","0.03","88.39","0.02","84.33","0.02","778.4","0.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Chlorophenylboronic acid-4,7-phenanthroline complex","","- C18 H14 B Cl N2 O2 -","- C18 H14 B Cl N2 O2 -","- C36 H28 B2 Cl2 N4 O4 -","2","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0324","0.0275","","","0.0744","0.0781","","","","","","1.135","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511590","10.129","0.004","10.9","0.004","12.521","0.004","69.96","0.008","66.85","0.008","70.21","0.007","1160.4","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4-Iodophenylboronic acid-trans-1,2-bis(4-pyridyl)ethene complex","","- C48 H42 B2 I2 N6 O4 -","- C48 H42 B2 I2 N6 O4 -","- C48 H42 B2 I2 N6 O4 -","1","0.5","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.1417","0.0549","","","0.1271","0.1507","","","","","","0.83","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511591","12.805","0.003","6.834","0.001","18.647","0.004","90","","102.74","0.03","90","","1591.6","0.6","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B Br N2 O3 -","- C16 H16 B Br N2 O3 -","- C64 H64 B4 Br4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0557","0.0332","","","0.0748","0.0825","","","","","","1.005","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511592","12.259","0.005","12.938","0.002","13.211","0.003","96.91","0.01","116.79","0.02","99.83","0.02","1796","1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Chlorophenylboronic acid-trans-1, 2-bis(4-pyridyl)ethene-hydrate complex","","- C18 H18 B Cl N2 O3 -","- C18 H18 B Cl N2 O3 -","- C72 H72 B4 Cl4 N8 O12 -","4","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0669","0.0465","","","0.1246","0.1375","","","","","","1.029","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511593","12.606","0.005","6.878","0.003","18.873","0.008","90","","102.793","0.007","90","","1595.7","1.2","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Chlorophenylboronic acid-4,4'-bipyridyl-hydrate complex","","- C16 H16 B Cl N2 O3 -","- C16 H16 B Cl N2 O3 -","- C64 H64 B4 Cl4 N8 O12 -","4","1","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0687","0.0566","","","0.143","0.1562","","","","","","1.161","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511594","12.301","","12.969","","13.309","","96.25","0.01","116.94","0.01","100.13","0.01","1819.8","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-Bromophenylboronic acid-trans-1,2-bis(4-pyridyl)ethene-hydrate complex","","- C18 H18 B Br N2 O3 -","- C18 H18 B Br N2 O3 -","- C72 H72 B4 Br4 N8 O12 -","4","2","","SeethaLekshmi, Sunil; Varughese, Sunil; Giri, Lopamudra; Pedireddi, V. R.","Molecular Complexes of 4-Halophenylboronic Acids: A Systematic Exploration of Isostructurality and Structural Landscape","Crystal Growth & Design","2014","14","8","4143","","10.1021/cg500750p","","","0.71073","MoKα","","0.0712","0.0385","","","0.0876","0.096","","","","","","0.896","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511595","7.2659","0.0001","10.3858","0.0003","42.1865","0.001","90","","90","","90","","3183.49","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H48 N2 O9 -","- C31 H48 N2 O9 -","- C124 H192 N8 O36 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0336","0.0323","","","0.0829","0.0845","","","","","","1.039","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511596","10.7203","0.0007","9.3534","0.0004","14.3581","0.0011","90","","110.236","0.008","90","","1350.84","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 N4 O10 -","- C24 H38 N4 O10 -","- C48 H76 N8 O20 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0447","0.0372","","","0.0892","0.0951","","","","","","0.956","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511597","12.0408","0.0008","5.9067","0.0003","12.1169","0.0008","90","","113.961","0.008","90","","787.51","0.1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C26 H44 N4 O12 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0584","0.0411","","","0.0885","0.0966","","","","","","1.023","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511598","5.9628","0.0004","11.5797","0.0008","22.5983","0.0018","90","","95.615","0.008","90","","1552.9","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H22 N2 O6 -","- C13 H22 N2 O6 -","- C52 H88 N8 O24 -","4","2","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","0.71073","MoKα","","0.0602","0.0485","","","0.1162","0.1243","","","","","","1.024","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511599","7.351","0.002","9.78","0.003","29.993","0.005","90","","90","","90","","2156.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O4 -","- C21 H32 N2 O4 -","- C84 H128 N8 O16 -","4","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54178","CuKα","","0.0883","0.0837","","","0.234","0.2366","","","","","","1.056","","","","has coordinates","179662","2020-10-21","18:00:00",""
"4511600","6.8807","0.0001","11.0656","0.0002","16.4085","0.0003","90","","96.713","0.002","90","","1240.76","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H40 N2 O5 -","- C26 H40 N2 O5 -","- C52 H80 N4 O10 -","2","1","","Springuel, Géraldine; Robeyns, Koen; Norberg, Bernadette; Wouters, Johan; Leyssens, Tom","Cocrystal Formation between Chiral Compounds: How Cocrystals Differ from Salts","Crystal Growth & Design","2014","14","8","3996","","10.1021/cg500588t","","","1.54184","CuKα","","0.0312","0.0298","","","0.0774","0.0792","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511601","14.01","0.0013","8.9567","0.0008","10.3498","0.001","90","","109.458","0.004","90","","1224.6","0.2","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 O3 Tl -","- C14 H11 O3 Tl -","- C56 H44 O12 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.034","0.0251","","0.0589","0.0569","0.0569","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511602","9.8894","0.0005","11.9645","0.0006","18.8117","0.0009","104.566","0.003","102.641","0.003","91.839","0.003","2093.11","0.18","29","","29","","","","","","","","","4","P -1","-P 1","2","","","","- C43 H43 Ga O13 -","- C43 H43 Ga O13 -","- C86 H86 Ga2 O26 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.0468","0.0358","","0.0968","0.093","0.093","","","","","","1.0267","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511603","13.3766","0.0013","14.8033","0.0016","16.1009","0.0017","93.531","0.004","103.123","0.004","114.206","0.004","2788.7","0.5","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C61 H57 In N2 O14 -","- C61 H57 In N2 O14 -","- C122 H114 In2 N4 O28 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.075","0.0508","","0.1418","0.1291","0.1291","","","","","","1.0133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511604","8.728","0.002","11.925","0.003","14.66","0.004","105.473","0.008","100.16","0.009","103.095","0.011","1386","0.6","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 B N2 O7 -","- C31 H27 B N2 O7 -","- C62 H54 B2 N4 O14 -","2","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.1032","0.0616","","0.1305","0.121","0.121","","","","","","1.0059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511605","6.9037","0.0002","19.0744","0.0005","31.8889","0.0009","90","","90","","90","","4199.3","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C52 H41 N4 O7 Tl -","- C52 H41 N4 O7 Tl -","- C208 H164 N16 O28 Tl4 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.047","0.0425","","0.0682","0.0677","0.0677","","","","","","0.9948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511606","11.2273","0.0006","17.5817","0.0009","11.7154","0.0006","90","","112.885","0.002","90","","2130.53","0.19","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H38 N4 O6 Tl2 -","- C52 H38 N4 O6 Tl2 -","- C104 H76 N8 O12 Tl4 -","2","0.5","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.0835","0.0523","","0.1222","0.1019","0.1019","","","","","","0.9993","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511607","24.3592","0.0014","9.4393","0.0004","21.6422","0.0011","90","","115.445","0.002","90","","4493.6","0.4","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H45 Al O14 -","- C43 H45 Al O14 -","- C172 H180 Al4 O56 -","4","1","","Halevas, E.; Hatzidimitriou, A.; Bertmer, M.; Vangelis, A. A.; Antzara, A.; Mateescu, C.; Salifoglou, A.","Structure Lattice-Dimensionality and Spectroscopic Property Correlations in Novel Binary and Ternary Materials of Group 13 Elements with α-Hydroxycarboxylic Benzilic Acid and Phenanthroline","Crystal Growth & Design","2014","14","8","4041","","10.1021/cg500638z","","","0.71073","MoKα","","0.063","0.0454","","0.0788","0.077","0.077","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511608","20.4932","0.0008","13.7177","0.0006","27.2481","0.0011","90","","90","","90","","7660","0.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C76 H80.5 Co4 N8 O28.5 -","- C76 H80.5 Co4 N8 O28.5 -","- C304 H322 Co16 N32 O114 -","4","1","","Ke, Szu-Yu; Chang, Ya-Fan; Wang, Hsin-Yu; Yang, Ching-Chun; Ni, Cheng-Wei; Lin, Gu-Ying; Chen, Tzu-Ting; Ho, Mei-Lin; Lee, Gene-Hsiang; Chuang, Yu-Chun; Wang, Chih-Chieh","Self-Assembly of Four Coordination Polymers in Three-Dimensional Entangled Architecture Showing Reversible Dynamic Solid-State Structural Transformation and Color-Changing Behavior upon Thermal Dehydration and Rehydration","Crystal Growth & Design","2014","14","8","4011","","10.1021/cg500620k","","","0.71073","MoKα","","0.0863","0.0586","","","0.1233","0.136","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511616","5.7188","0.0004","10.1645","0.0007","20.4591","0.0011","90","","90","","90","","1189.26","0.13","298.01","0.1","298.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N3 O4 -","- C10 H13 N3 O4 -","- C40 H52 N12 O16 -","4","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0756","0.0518","","","","0.1454","","","","","","1.0905","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511617","5.6612","0.0003","5.1428","0.0003","9.5438","0.0005","90","","93.246","0.005","90","","277.42","0.03","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C4 H7 N O3 -","- C4 H7 N O3 -","- C8 H14 N2 O6 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0238","0.0237","","","","0.0629","","","","","","1.0678","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511618","5.4131","0.0006","6.0085","0.0005","9.9526","0.0008","87.699","0.007","84.94","0.008","73.561","0.009","309.22","0.05","119.95","0.1","119.95","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","1","0.5","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.0732","0.0656","","","","0.1924","","","","","","1.115","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511619","7.1751","0.0006","10.1669","0.0012","12.6992","0.0012","82.037","0.009","81.412","0.007","88.251","0.008","907.12","0.16","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C36 H44 N8 O12 -","2","1","","Cherukuvada, Suryanarayan; Guru Row, Tayur N.","Comprehending the Formation of Eutectics and Cocrystals in Terms of Design and Their Structural Interrelationships","Crystal Growth & Design","2014","14","8","4187","","10.1021/cg500790q","","","0.7107","MoKα","","0.1101","0.0793","","","","0.2669","","","","","","1.1876","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511632","34.43","0.003","10.1777","0.001","22.398","0.002","90","","92.226","0.002","90","","7842.7","1.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C83 H106 Br2 N4 O27 -","- C83 H102 Br2 N4 O27 -","- C332 H408 Br8 N16 O108 -","4","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.0703","0.0584","","","0.1484","0.1567","","","","","","1.071","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511633","44.5094","0.0015","12.9169","0.0004","17.9977","0.0006","90","","108.483","0.002","90","","9813.6","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C99 H144 Br2 N4 O31 -","- C99 H130 Br2 N4 O31 -","- C396 H520 Br8 N16 O124 -","4","0.5","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.1061","0.0884","","","0.2436","0.2636","","","","","","1.041","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511634","18.4096","0.0006","20.188","0.0006","23.4074","0.0007","73.34","0.002","68.043","0.002","79.237","0.002","7698.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C151.95 H223.4 Br3 N6 O46.75 -","- C151.95 H208.8 Br3 N6 O46.75 -","- C303.9 H417.6 Br6 N12 O93.5 -","2","1","","Fowler, Drew A.; Pfeiffer, Constance R.; Teat, Simon J.; Baker, Gary A.; Atwood, Jerry L.","Solvent-Modulated Formation of “Pac-man” and Capsular Host‒Guest Bilayers from a Dicationic Ionic Liquid andC-Butylpyrogallol[4]arene","Crystal Growth & Design","2014","14","8","4199","","10.1021/cg500793z","","","0.7749","synchrotron","","0.1455","0.1174","","","0.3481","0.3745","","","","","","1.528","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511635","14.167","0.0005","18.6643","0.0007","16.8236","0.0003","90","","90","","90","","4448.4","0.2","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C30 H56 O28 U3 -","- C30 H56 O28 U3 -","- C120 H224 O112 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0442","0.0286","","","0.0611","0.0646","","","","","","1.021","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511636","14.881","0.0013","18.0065","0.0015","17.2267","0.0008","90","","90","","90","","4616","0.6","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H46 N4 Ni O22 U2 -","- C38 H46 N4 Ni O22 U2 -","- C152 H184 N16 Ni4 O88 U8 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0774","0.0482","","","0.1042","0.113","","","","","","1.041","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511637","15.258","0.0004","18.0513","0.001","16.9899","0.0008","90","","95.344","0.003","90","","4659.1","0.4","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C86 H90 N10 Ni2 O39 U4 -","- C86 H80 N10 Ni2 O39 U4 -","- C172 H160 N20 Ni4 O78 U8 -","2","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0636","0.0502","","","0.1211","0.1251","","","","","","1.099","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511638","10.0413","0.0002","15.5554","0.0003","10.0309","0.0002","90","","90","","90","","1566.79","0.05","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Ni O24 U2 -","- C18 H30 Ni O24 U2 -","- C36 H60 Ni2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0336","0.0322","","","0.0824","0.0828","","","","","","1.262","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511639","10.1436","0.0005","15.6398","0.0007","10.0394","0.0004","90","","90","","90","","1592.69","0.12","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C18 H34 Cu O24 U2 -","- C18 H30 Cu O24 U2 -","- C36 H60 Cu2 O48 U4 -","2","0.25","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0392","0.0322","","","0.0777","0.0796","","","","","","1.169","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511640","31.0331","0.0013","10.0992","0.0003","16.5477","0.0007","90","","90","","90","","5186.2","0.3","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C27 H59 O40 Tb U3 -","- C27 H33 O40 Tb U3 -","- C108 H132 O160 Tb4 U12 -","4","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0516","0.0385","","","0.0973","0.1015","","","","","","1.047","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511641","8.9367","0.0005","9.4944","0.0006","11.9769","0.0008","83.967","0.004","73.74","0.003","67.598","0.003","901.95","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 N2 O20 U3 -","- C28 H36 N2 O20 U3 -","- C28 H36 N2 O20 U3 -","1","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0397","0.0306","","","0.0558","0.058","","","","","","1.026","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511642","20.7493","0.0007","20.7493","0.0007","10.0311","0.0002","90","","90","","120","","3740.12","0.19","150","2","150","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- C9 H10 O8 U -","- C9 H9 O8 U -","- C54 H54 O48 U6 -","6","0.5","","Thuéry, Pierre; Harrowfield, Jack","Uranyl Ion Complexes with all-cis-1,3,5-Cyclohexanetricarboxylate: Unexpected Framework and Nanotubular Assemblies","Crystal Growth & Design","2014","14","8","4214","","10.1021/cg500828s","","","0.71073","MoKα","","0.0397","0.0318","","","0.0781","0.0802","","","","","","1.052","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511646","9.55","0.005","11.309","0.005","16.008","0.005","85.285","0.005","88.604","0.005","65.217","0.005","1564.2","1.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C44 H38 N30 Na6 O19 W2 -","- C44 H36 N30 Na6 O19 W2 -","- C44 H36 N30 Na6 O19 W2 -","1","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.71069","MoKα","","0.0322","0.029","","","0.074","0.0763","","","","","","1.042","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511647","21.579","0.0001","25.288","0.0003","9.788","0.0004","90","","90","","90","","5341.2","0.2","100","2","100","2","","","","","","","synthesis as described","6","F d d 2","F 2 -2d","43","","","","- C16 H16 K3 N12 O8 W -","- C16 H16 K3 N12 O8 W -","- C128 H128 K24 N96 O64 W8 -","8","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","x-ray","0.7107","MoKα","","0.0215","0.0195","","","0.0413","0.0428","","","","","","1.1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511648","16.27","0.005","16.578","0.005","19.748","0.005","108.69","0.005","94.85","0.005","97.985","0.005","4949","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H28 Mn6 N40 O22 W4 -","- C62 H28 Mn6 N40 O22 W4 -","- C124 H56 Mn12 N80 O44 W8 -","2","1","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71069","MoKα","","0.0538","0.0273","","","0.0743","0.0825","","","","","","1.013","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511649","11.3416","0.0001","15.1979","0.0001","14.7404","0.0001","90","","90","","90","","2540.78","0.03","293","2","293","2","","","","","","","synthesis as described","6","P n m a","-P 2ac 2n","62","","","","- C12 H4 Mn2 N10 O12 W -","- C12 H4 Mn2 N10 O12 W -","- C48 H16 Mn8 N40 O48 W4 -","4","0.5","","Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara","Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions","Crystal Growth & Design","2014","14","8","4030","","10.1021/cg500636m","","","0.71073","MoKα","","0.0339","0.0283","","","0.0742","0.0779","","","","","","1.057","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511668","13.3072","0.0005","20.3766","0.0008","21.6407","0.0008","73.832","0.002","83.605","0.002","83.898","0.002","5583.4","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C160 H138 -","- C160 H138 -","- C320 H276 -","2","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Prinz, Peter; de Meijere, Armin; Olmstead, Marilyn M.; Balch, Alan L.","Cocrystallization of C60or C70with the Bowl-Shaped Hydrocarbon Hexakis[(E)-3,3-dimethyl-1-butenyl]benzene To Form Chains of Clamshell Assemblies","Crystal Growth & Design","2014","14","8","4005","","10.1021/cg500603c","","","0.7749","synchrotron","","0.08","0.0662","","","0.1802","0.193","","","","","","1.034","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511669","14.6166","0.0006","32.4939","0.0014","22.8644","0.0009","90","","94.194","0.002","90","","10830.4","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C149.7 H137.64 S0.12 -","- C149.701 H137.64 S0.1214 -","- C598.803 H550.56 S0.4856 -","4","1","","Ghiassi, Kamran B.; Chen, Susanne Y.; Prinz, Peter; de Meijere, Armin; Olmstead, Marilyn M.; Balch, Alan L.","Cocrystallization of C60or C70with the Bowl-Shaped Hydrocarbon Hexakis[(E)-3,3-dimethyl-1-butenyl]benzene To Form Chains of Clamshell Assemblies","Crystal Growth & Design","2014","14","8","4005","","10.1021/cg500603c","","","0.7749","synchrotron","","0.0792","0.0628","","","0.1658","0.1806","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511671","5.349","","5.349","","11.628","","90","","90","","90","","332.698","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Sodium Lanthanum Bis(tungstate)","","- La Na O8 W2 -","- La Na O8 W2 -","- La2 Na2 O16 W4 -","2","0.125","","Wang, Zijun; Zhong, Jiuping; Jiang, Haoxing; Wang, Jing; Liang, Hongbin","Controllable Synthesis of NaLu(WO4)2:Eu3+Microcrystal and Luminescence Properties for LEDs","Crystal Growth & Design","2014","14","8","3767","","10.1021/cg5001182","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511672","9.5986","0.0007","9.6754","0.0007","10.1798","0.0007","79.665","0.006","82.116","0.006","87.581","0.006","921.12","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N8 O14 Zn2 -","- C32 H36 N8 O14 Zn2 -","- C32 H36 N8 O14 Zn2 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0671","0.0464","","","0.0836","0.0956","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511673","8.0455","0.0007","11.0296","0.0009","12.2367","0.0009","81.545","0.007","72.039","0.007","69.327","0.008","965.55","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H32 B2 Cd2 F8 N8 O10 -","- C28 H32 B2 Cd2 F8 N8 O10 -","- C28 H32 B2 Cd2 F8 N8 O10 -","1","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0502","0.0411","","","0.0871","0.0959","","","","","","1.047","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511674","10.5244","0.0003","15.4351","0.0003","10.9498","0.0003","90","","91.508","0.002","90","","1778.13","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cd N4 O6 -","- C16 H16 Cd N4 O6 -","- C64 H64 Cd4 N16 O24 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.041","0.0308","","","0.0715","0.0778","","","","","","0.997","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511675","22.3659","0.001","7.2649","0.0005","7.2828","0.0003","90","","90","","90","","1183.35","0.11","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H10 N2 O6 Zn -","- C9 H10 N2 O6 Zn -","- C36 H40 N8 O24 Zn4 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0341","0.0299","","","0.0812","0.0843","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511676","21.9763","0.001","10.4278","0.0004","10.7628","0.0004","90","","90","","90","","2466.45","0.17","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C9 H10 Cd N2 O6 -","- C9 H10 Cd N2 O6 -","- C72 H80 Cd8 N16 O48 -","8","","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0533","0.0376","","","0.0593","0.065","","","","","","0.998","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511677","14.6217","0.0003","8.5579","0.0002","9.3563","0.0002","90","","93.319","0.002","90","","1168.8","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O5 Zn -","- C10 H10 N2 O5 Zn -","- C40 H40 N8 O20 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0489","0.0406","","","0.1043","0.1116","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511678","21.078","0.003","4.7782","0.0004","18.462","0.002","90","","114.867","0.014","90","","1687","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N2 O3 -","- C8 H9 N2 O3 -","- C64 H72 N16 O24 -","8","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0812","0.0543","","","0.1195","0.1446","","","","","","1.085","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511679","8.2196","0.0006","9.2915","0.0005","14.0247","0.0008","77.376","0.005","84.259","0.005","75.489","0.005","1010.7","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N4 O6 Zn -","- C18 H20 N4 O6 Zn -","- C36 H40 N8 O12 Zn2 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0569","0.0423","","","0.086","0.0934","","","","","","1","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511680","9.9339","0.0005","10.8715","0.0008","13.3713","0.0009","66.832","0.007","86.057","0.005","73.598","0.005","1272.1","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cd N5 O7 -","- C21 H27 Cd N5 O7 -","- C42 H54 Cd2 N10 O14 -","2","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0417","0.0354","","","0.0922","0.0972","","","","","","0.999","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511681","10.2393","0.0005","15.3424","0.0007","9.652","0.0005","90","","105.727","0.005","90","","1459.52","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 N2 O6 Zn -","- C12 H18 N2 O6 Zn -","- C48 H72 N8 O24 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0989","0.0562","","","0.102","0.1193","","","","","","0.999","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511682","11.444","0.006","13.901","0.002","9.682","0.003","90","","114.8","0.05","90","","1398.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Cd N2 O6 -","- C12 H18 Cd N2 O6 -","- C48 H72 Cd4 N8 O24 -","4","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Masunov, Artëm E.; Rivera-Jacquez, Hector J.; Siminel, Anatolii V.; Zelentsov, Vyacheslav I.; Datsko, Tatiana Ya.; Fonari, Marina S.","Polymeric Luminescent Zn(II) and Cd(II) Dicarboxylates Decorated by Oxime Ligands: Tuning the Dimensionality and Adsorption Capacity","Crystal Growth & Design","2014","14","8","3935","","10.1021/cg5005402","","","0.71073","MoKα","","0.0773","0.0471","","","0.0709","0.0819","","","","","","0.999","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511683","9.2876","0.0004","25.1207","0.0009","25.9555","0.0009","90","","90","","90","","6055.7","0.4","193","","193","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H50 F24 Fe2 N20 O3 P4 -","- C44 H48 F24 Fe2 N20 O3 P4 -","- C176 H192 F96 Fe8 N80 O12 P16 -","4","1","","Sunatsuki, Yukinari; Fujita, Kunihiro; Maruyama, Hisashi; Suzuki, Takayoshi; Ishida, Hiroyuki; Kojima, Masaaki; Glaser, Robert","Chiral Crystal Structure of aP212121Kryptoracemate Iron(II) Complex with an Unsymmetric Azine Ligand and the Observation of Chiral Single Crystal Circular Dichroism","Crystal Growth & Design","2014","14","8","3692","","10.1021/cg500635q","","","0.71075","MoKα","","","0.0443","","","","0.1237","","","","","","1.04","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511684","7.8733","0.0002","9.6661","0.0002","13.1775","0.0005","95.832","0.001","102.659","0.001","114.486","0.002","869.32","0.05","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C23 H15 B F2 O2 -","- C23 H15 B F2 O2 -","- C46 H30 B2 F4 O4 -","2","1","","Alemany, Pere; D’Aléo, Anthony; Giorgi, Michel; Canadell, Enric; Fages, Frédéric","C‒H···BF2O2Interactions in Crystals: A Case for Boron Hydrogen Bonding?","Crystal Growth & Design","2014","14","8","3700","","10.1021/cg5008473","","x-ray","0.71073","MoKα","","0.1064","0.0618","","","0.1714","0.2152","","","","","","1.071","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511685","8.0679","0.0002","8.9156","0.0003","16.6791","0.0005","77.872","0.002","87.581","0.002","74.133","0.003","1128.11","0.06","293","2","293","2","","","","","","","Synthetic Product","4","P 1","P 1","1","doxycycline nitrate salt hemihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, nitrate, hemihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","- C44 H52 N6 O23 -","1","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0369","0.0332","","","0.084","0.0867","","","","","","1.027","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511686","11.0979","0.0001","12.7557","0.0001","16.8829","0.0002","90","","90","","90","","2389.97","0.04","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","doxycycline chloride salt dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, monohydrochloride, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C22 H29 Cl N2 O10 -","- C22 H29 Cl N2 O10 -","- C88 H116 Cl4 N8 O40 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","1.5418","CuKα","","0.0314","0.0282","","","0.07","0.0721","","","","","","1.05","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511687","6.4753","0.0002","9.097","0.0004","42.8077","0.0016","90","","90","","90","","2521.62","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","doxycycline acetic acid dihydrate","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a- octahydro-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, acetic acid, dihydrate, (4S,4aR,5S,5aR,6R,12aS)- (9CI)","","- C24 H32 N2 O12 -","- C24 H32 N2 O12 -","- C96 H128 N8 O48 -","4","1","","Santos, Olímpia M. M.; Silva, Douglas M.; Martins, Felipe T.; Legendre, Alexandre O.; Azarias, Lilian C.; Rosa, Iara M. L.; Neves, Person P.; de Araujo, Magali B.; Doriguetto, Antonio C.","Protonation Pattern, Tautomerism, Conformerism, and Physicochemical Analysis in New Crystal Forms of the Antibiotic Doxycycline","Crystal Growth & Design","2014","14","8","3711","","10.1021/cg500877z","","","0.71073","MoKα","","0.0715","0.0432","","","0.0928","0.0989","","","","","","0.943","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511688","14.121","0.006","12.638","0.005","27.712","0.012","90","","95.022","0.005","90","","4927","4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C-methylpyrogallol[4]arene with xanthone","","","- C54 H64 O17 -","- C54 H64 O17 -","- C216 H256 O68 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.121","0.0861","","","0.2357","0.2556","","","","","","1.068","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511689","12.5436","0.001","13.1759","0.001","14.583","0.0011","68.605","0.001","87.655","0.001","82.533","0.001","2225","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-methylpyrogallol[4]arene with xanthone","","","- C50 H56 O17 -","- C50 H56 O17 -","- C100 H112 O34 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0601","0.0446","","","0.1154","0.1275","","","","","","1.024","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511690","13.195","0.003","26.798","0.005","14.844","0.003","90","","91.929","0.002","90","","5245.9","1.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C-ethylpyrogallol[4]arene with xanthone","","","- C54.5 H76 O17 -","- C54.5 H76 O17 -","- C218 H304 O68 -","4","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0945","0.066","","","0.1715","0.1922","","","","","","1.025","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511691","12.2183","0.0011","12.2447","0.0011","17.2323","0.0016","86.549","0.001","83.574","0.001","64.197","0.001","2306.3","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","C-ethylpyrogallol[4]arene with xanthone","","","- C52 H58 O16 S -","- C52 H58 O16 S -","- C104 H116 O32 S2 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0522","0.0391","","","0.1027","0.114","","","","","","1.047","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511692","12.7479","0.0003","13.0603","0.0003","14.191","0.0004","98.372","0.001","90.522","0.001","98.042","0.001","2313.47","0.1","173","2","173","2","","","","","","","","3","P -1","-P 1","2","C-ethylpyrogallol[4]arene with xanthone","","","- C53 H60 O16 -","- C53 H60 O16 -","- C106 H120 O32 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","1.54178","CuKα","","0.0426","0.041","","","0.1108","0.1125","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511693","12.4166","0.0019","12.4314","0.0019","19.473","0.003","72.312","0.002","83.962","0.002","60.7","0.002","2493.9","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C57 H62 N2 O14 -","- C57 H62 N2 O14 -","- C114 H124 N4 O28 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0821","0.0538","","","0.1356","0.1516","","","","","","1.054","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511694","12.7989","0.0019","15.169","0.002","16.067","0.002","75.896","0.002","73.037","0.002","87.394","0.002","2892.6","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpyrogallol[4]arene with xanthone","","","- C62.07 H83.3 O17.35 -","- C62.07 H83.3 O17.357 -","- C124.14 H166.6 O34.714 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.1111","0.0968","","","0.2671","0.2823","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511695","12.7772","0.0008","13.0828","0.0009","15.464","0.001","97.204","0.001","90.784","0.001","97.8","0.001","2539.6","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","C-propylpryogallol[4]arene with xanthone","","","- C57 H68 O16 -","- C57 H68 O16 -","- C114 H136 O32 -","2","1","","Pfeiffer, Constance R.; Fowler, Drew A.; Atwood, Jerry L.","Endo vs Exo Bowl: Complexation of Xanthone by Pyrogallol[4]arenes","Crystal Growth & Design","2014","14","8","4205","","10.1021/cg500794w","","","0.71073","MoKα","","0.0598","0.0435","","","0.1101","0.1203","","","","","","1.039","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511696","9.513","0.002","10.681","0.004","10.952","0.002","98.71","0.02","98.47","0.02","115.03","0.03","968.5","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Cd4 Cl8 N4 O4 -","- C28 H36 Cd4 Cl8 N4 O4 -","- C28 H36 Cd4 Cl8 N4 O4 -","1","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0664","0.0595","","","0.1832","0.1996","","","","","","1.085","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511697","7.7819","0.0004","11.6662","0.0005","12.4557","0.0008","90","","90","","90","","1130.79","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C7 H10 Cd Cl3 N O -","- C7 H10 Cd Cl3 N O -","- C28 H40 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0314","0.0245","","","0.0427","0.045","","","","","","1.032","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511698","9.8733","0.0005","20.4901","0.0011","17.2559","0.0008","90","","94.89","0.005","90","","3478.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 Cd5 Cl12 N2 O5 -","- C14 H20 Cd5 Cl12 N2 O5 -","- C56 H80 Cd20 Cl48 N8 O20 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.54184","CuKα","","0.1271","0.114","","","0.2728","0.2954","","","","","","1.116","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511699","7.6262","0.0005","7.4531","0.0003","7.6295","0.0005","90","","115.423","0.008","90","","391.66","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Cd O5 S -","- Cd O5 S -","- Cd4 O20 S4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.04","0.0399","","","0.1049","0.105","","","","","","1.117","","","","has coordinates","179663","2020-10-21","18:00:00",""
"4511700","9.5274","0.0002","7.1161","0.0002","26.9956","0.0006","90","","90","","90","","1830.25","0.08","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C12 H14 Cd2 Cl4 N2 O2 -","- C12 H14 Cd2 Cl4 N2 O2 -","- C48 H56 Cd8 Cl16 N8 O8 -","4","0.5","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0198","0.0188","","","0.0452","0.0457","","","","","","1.089","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511701","6.5278","0.0003","15.3457","0.0006","11.3396","0.0004","90","","105.729","0.004","90","","1093.39","0.08","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cd Cl2 N O -","- C8 H11 Cd Cl2 N O -","- C32 H44 Cd4 Cl8 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","0.71073","MoKα","","0.0307","0.0261","","","0.0593","0.0621","","","","","","1.158","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511702","22.4932","0.0004","7.5119","0.0001","11.9686","0.0002","90","","90","","90","","2022.29","0.06","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C12 H16 Cd2 Cl6 N2 O2 -","- C12 H16 Cd2 Cl6 N2 O2 -","- C48 H64 Cd8 Cl24 N8 O8 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0469","0.0467","","","0.1248","0.1252","","","","","","1.03","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511703","7.5743","0.0003","11.1535","0.0004","13.5879","0.0005","90","","90","","90","","1147.91","0.07","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd Cl3 N O -","- C8 H12 Cd Cl3 N O -","- C32 H48 Cd4 Cl12 N4 O4 -","4","1","","Mobin, Shaikh M.; Mishra, Veenu; Chaudhary, Archana; Rai, Dhirendra K.; Golov, Andrey A.; Mathur, Pradeep","Acid-Driven Dimensionality Control of Cd(II) Complexes: From Discrete Double Open Cubane to One- and Three-Dimensional Networks","Crystal Growth & Design","2014","14","8","4124","","10.1021/cg5007346","","","1.5418","CuKα","","0.0225","0.0225","","","0.0597","0.0597","","","","","","1.196","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511704","6.3708","0.0007","6.8768","0.0008","12.2249","0.0014","95.797","0.002","97.358","0.002","105.452","0.002","506.83","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","- C20 H22 Cu N4 O8 -","1","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0347","0.0307","","","0.1022","0.1192","","","","","","1.098","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511705","12.6539","0.0011","7.0526","0.0006","24.631","0.002","90","","96.754","0.002","90","","2182.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu2 N4 O8.3 -","- C20 H17 Cu2 N4 O8.3 -","- C80 H68 Cu8 N16 O33.2 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0429","0.0318","","","0.1108","0.1359","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511706","10.5253","0.0014","13.2136","0.0018","7.3239","0.001","90","","92.775","0.003","90","","1017.4","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl Cu N2 O2 -","- C10 H7 Cl Cu N2 O2 -","- C40 H28 Cl4 Cu4 N8 O8 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0636","0.053","","","0.1897","0.2113","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511707","13.4425","0.0013","14.4204","0.0013","20.4469","0.0019","90","","108.168","0.002","90","","3766","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H51.5 Cu3 N12 O20 -","- C60 H42 Cu3 N12 O19.8 -","- C120 H84 Cu6 N24 O39.6 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0873","0.0688","","","0.2238","0.2501","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511708","10.1459","0.0003","10.1459","0.0003","23.8634","0.0017","90","","90","0.001","90","","2456.5","0.2","296","2","296","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C20 H18 Cd N4 O7 -","- C20 H18 Cd N4 O7 -","- C80 H72 Cd4 N16 O28 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0456","0.0319","","","0.0946","0.1008","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511709","7.5104","0.001","22.82","0.003","10.8562","0.0014","90","","90","","90","","1860.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H14 Cd N4 O4 -","- C20 H14 Cd N4 O4 -","- C80 H56 Cd4 N16 O16 -","4","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0224","0.0201","","","0.0505","0.0515","","","","","","1.007","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511710","16.1322","0.0018","15.7981","0.0018","11.6042","0.0013","90","","90","","90","","2957.4","0.6","200","","200","","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C26 H28 Cd N6 O6 -","- C26 H28 Cd N6 O6 -","- C104 H112 Cd4 N24 O24 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0436","0.0348","","","0.0896","0.0927","","","","","","1.055","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511711","13.202","0.004","27.475","0.008","7.641","0.002","90","","123.254","0.004","90","","2317.7","1.2","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H30 Cd2 N8 O9 -","- C40 H30 Cd2 N8 O9 -","- C80 H60 Cd4 N16 O18 -","2","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.064","0.0511","","","0.1151","0.1194","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511712","8.4831","0.0005","10.06","0.0006","12.0787","0.0007","113.522","0.001","92.857","0.001","105.586","0.001","895.88","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 N4 O5 Zn -","- C20 H16 N4 O5 Zn -","- C40 H32 N8 O10 Zn2 -","2","1","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0361","0.0313","","","0.1109","0.1339","","","","","","1.069","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511713","16.0788","0.0015","15.177","0.0015","11.3011","0.0011","90","","90","","90","","2757.8","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 N4 O4 Zn -","- C20 H14 N4 O4 Zn -","- C80 H56 N16 O16 Zn4 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0513","0.0319","","","0.0859","0.0956","","","","","","0.98","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511714","15.9834","0.0015","15.2006","0.0014","11.3984","0.0011","90","","90","","90","","2769.3","0.5","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C20 H14 Co N4 O4 -","- C20 H14 Co N4 O4 -","- C80 H56 Co4 N16 O16 -","4","0.5","","Chen, Shui-Sheng; Liu, Qing; Zhao, Yue; Qiao, Rui; Sheng, Liang-Quan; Liu, Zhao-Di; Yang, Song; Song, Cong-Fu","New Metal‒Organic Frameworks Constructed from the 4-Imidazole-Carboxylate Ligand: Structural Diversities, Luminescence, and Gas Adsorption Properties","Crystal Growth & Design","2014","14","8","3727","","10.1021/cg401811c","","","0.71073","MoKα","","0.0583","0.0414","","","0.1355","0.1435","","","","","","1.045","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511715","12.065","0.005","11.414","0.005","13.752","0.005","90","","92.538","0.007","90","","1891.9","1.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C76 H88 N16 O24 -","4","1","","Krasnov, Konstantin A.; Khrustalev, Victor N.","Diastereoselective T-Reaction of 1-Alkyl-5-(5-nitro-2-N-morpholino-benzylidene)barbituric Acids in the Solid State: Synthesis of 1-Alkyl-2,4,6-trioxoperhydropyrimidino-5-spiro-10′-(7′-nitro-1′,3′,4′,9′,10′,10a′-hexahydro-2′-oxa)-4a′-azaphenanthrenes and Their 2′-Thia Analogues","Crystal Growth & Design","2014","14","8","3975","","10.1021/cg500570u","","","0.71073","MoKα","","0.1114","0.0552","","","0.1006","0.1168","","","","","","1","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511716","6.7833","0.0003","11.0656","0.0005","13.3501","0.0006","70.288","0.001","87.062","0.001","84.885","0.001","939.36","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N4 O6 -","- C19 H22 N4 O6 -","- C38 H44 N8 O12 -","2","1","","Krasnov, Konstantin A.; Khrustalev, Victor N.","Diastereoselective T-Reaction of 1-Alkyl-5-(5-nitro-2-N-morpholino-benzylidene)barbituric Acids in the Solid State: Synthesis of 1-Alkyl-2,4,6-trioxoperhydropyrimidino-5-spiro-10′-(7′-nitro-1′,3′,4′,9′,10′,10a′-hexahydro-2′-oxa)-4a′-azaphenanthrenes and Their 2′-Thia Analogues","Crystal Growth & Design","2014","14","8","3975","","10.1021/cg500570u","","","0.71073","MoKα","","0.0479","0.0397","","","0.1019","0.1071","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511717","14.066","0.003","17.611","0.004","24.426","0.005","98.68","0.03","95.62","0.03","91.79","0.03","5946","2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H67.5 N4 O27.75 S4 -","- C56 H44 N4 O27.75 S4 -","- C224 H176 N16 O111 S16 -","4","2","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.1272","0.1045","","","0.2488","0.2649","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511718","12.354","0.003","14.404","0.003","16.103","0.003","69.19","0.03","88.31","0.03","82.76","0.03","2656.8","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 N4 O20 S8 -","- C52 H36 N4 O20 S8 -","- C104 H72 N8 O40 S16 -","2","1","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.0596","0.0436","","","0.1247","0.1333","","","","","","1.099","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511719","11.177","0.002","14.903","0.003","19.97","0.004","95.73","0.03","93.96","0.03","94.51","0.03","3289.6","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H71 N4 O30.5 S5 -","- C63 H49 N4 O30.5 S5 -","- C126 H98 N8 O61 S10 -","2","1","","Wang, Kui; Yang, En-Cui; Zhao, Xiao-Jun; Dou, Hong-Xi; Liu, Yu","Molecular Binding Behaviors of Sulfonated Calixarenes with Phenanthroline-diium in Aqueous Solution and Solid State: Cavity Size Governing Capsule Formation","Crystal Growth & Design","2014","14","9","4631","","10.1021/cg500730m","","","0.71073","MoKα","","0.0864","0.0734","","","0.2053","0.2187","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511720","11.632","0.003","14.062","0.003","8.24","0.001","90","","107.01","0.01","90","","1288.8","0.5","220","","220","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","molecular complex (1:1) of paraldehyde with chloroform","2,4,6-trimethyl-1,3,5-trioxane tribromomethane (1:1)","","- C7 H13 Br3 O3 -","- C7 H13 Br3 O3 -","- C28 H52 Br12 O12 -","4","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.1224","0.0554","","","0.1238","0.1465","","","","","","0.974","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511721","11.579","0.009","13.627","0.01","7.941","0.004","90","","107","0.015","90","","1198.2","1.4","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","molecular complex (1:1) of paraldehyde with chloroform","2,4,6-trimethyl-1,3,5-trioxane trichloromethane (1:1)","","- C7 H13 Cl3 O3 -","- C7 H13 Cl3 O3 -","- C28 H52 Cl12 O12 -","4","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.063","0.0386","","","0.0941","0.1077","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511722","12.016","0.002","10.6738","0.0014","4.4634","0.0005","90","","90","","90","","572.46","0.14","230","0.2","230","0.2","","","","","","","","4","P m n 21","P 2ac -2","31","molecular complex (1:1) of paraldehyde with dibromomethane","2,4,6-trimethyl-1,3,5-trioxane dibromomethane (1:1)","","- C7 H14 Br2 O3 -","- C7 H14 Br2 O3 -","- C14 H28 Br4 O6 -","2","0.5","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","","0.0586","0.0444","","","0.1134","0.1223","","","","","","0.984","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511723","11.703","0.003","10.49","0.002","4.4154","0.0007","90","","90","","90","","542.05","0.19","210","","210","","","","","","","","","4","P m n 21","P 2ac -2","31","molecular complex (1:1) of paraldehyde with dichloromethane","2,4,6-trimethyl-1,3,5-trioxane dichloromethane (1:1)","","- C7 H14 Cl2 O3 -","- C7 H14 Cl2 O3 -","- C14 H28 Cl4 O6 -","2","0.5","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0531","0.0356","","","0.0894","0.1012","","","","","","1.023","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511724","12.8475","0.0012","8.1256","0.0005","14.3082","0.0013","90","","90","","90","","1493.7","0.2","200","","200","","","","","","","","","3","P b c a","-P 2ac 2ab","61","paraldehyde","2,4,6-trimethyl-1,3,5-trioxane","","- C6 H12 O3 -","- C6 H12 O3 -","- C48 H96 O24 -","8","1","","Yufit, D. S.; Shishkin, O. V.; Zubatyuk, R. I.; Howard, J. A. K.","Trimethyltrioxane (Paraldehyde) and Its Halomethanes Complexes: Crystallization, Structures, and Analysis of Packing Motifs","Crystal Growth & Design","2014","14","9","4303","","10.1021/cg500354t","","x-ray","0.71073","MoKα","K-L~3~","0.0468","0.0328","","","0.0868","0.0985","","","","","","1.068","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511725","5.7118","0.0002","15.0846","0.0004","15.2666","0.0004","90","","90","","90","","1315.37","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methylphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O -","- C18 H14 O -","- C72 H56 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.03","0.0287","","","0.0783","0.0793","","","","","","0.996","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511726","5.402","0.003","14.878","0.008","16.625","0.01","90","","90","","90","","1336.2","1.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(E)-1-(4-Methoxyphenyl)-5-phenylpent-2-en-4-yn-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0889","0.0475","","","0.0804","0.0945","","","","","","1.003","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511727","15.1646","0.0005","5.5972","0.0002","16.652","0.0005","90","","92.678","0.002","90","","1411.87","0.08","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(E)-1,5-Bis(4-methylphenyl)-pent-2-en-4-yn-1-one","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0426","0.0363","","","0.0861","0.091","","","","","","1","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511728","14.2242","0.0007","5.7666","0.0003","34.8348","0.0016","90","","90","","90","","2857.3","0.2","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","(E)-1-(4-Chlorophenyl)-5-(4-methylphenylpent)-2-en-4-yn-1-one","","- C18 H13 Cl O -","- C18 H13 Cl O -","- C144 H104 Cl8 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","1.54178","CuKα","","0.0692","0.0554","","","0.1313","0.1428","","","","","","0.998","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511729","15.1861","0.0019","10.2844","0.0012","16.0453","0.0019","90","","90","","90","","2506","0.5","140","2","140","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-1,5-Diphenyl)-pent-4-en-2-yn-1-one","","- C17 H12 O -","- C17 H12 O -","- C136 H96 O8 -","8","1","","Vologzhanina, Anna V.; Golovanov, Alexandr A.; Gusev, Dmitry M.; Odin, Ivan S.; Apreyan, Ruben A.; Suponitsky, Kyrill Yu.","Intermolecular Interactions and Second-Harmonic Generation Properties of (E)-1,5-Diarylpentenyn-1-ones","Crystal Growth & Design","2014","14","9","4402","","10.1021/cg500512e","","","0.71073","MoKα","","0.0645","0.0423","","","0.0844","0.0998","","","","","","1.014","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511730","13.5242","0.0002","13.479","0.00029","23.9472","0.0005","90","","100.92","0.0011","90","","4286.36","0.14","298","2","298","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","1,4-bis[4-estren-17?-ethynyl-18a-homo-17?-ol-3-one]-benzene","","- C50 H61 N O4 -","- C50 H61 N O4 -","- C200 H244 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1415","0.0938","","","0.2083","0.232","","","","","","1.14","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511731","21.2058","0.0007","17.4701","0.0011","17.1129","0.0008","90","","125.14","0.0022","90","","5184.3","0.5","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","1,4-bis(17?-hydroxy-17?-ethynyl-4-estren-3-one)-2,3-difluorobenzene","","- C46 H52 F2 O4 -","- C46 H52 F2 O4 -","- C184 H208 F8 O16 -","4","1","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1999","0.106","","","0.2651","0.3298","","","","","","1.027","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511732","13.4822","0.0002","13.4861","0.0002","24.1921","0.0004","90","","96.0156","0.0007","90","","4374.44","0.12","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1,4-bis(18a-Homo-17?-hydroxy-17?-ethynyl-4-estren-3-one) -2,3-difluorobenzene","","- C50 H59 F2 N O4 -","- C50 H59 F2 N O4 -","- C200 H236 F8 N4 O16 -","4","2","","Ramirez-Montes, Pedro I.; Ochoa, María E.; Santillan, Rosa; Ramírez, Daniel J.; Farfán, Norberto","Steroidal Wheel-and-Axle Host Type Molecules: Insights from Awkward Shape, Conformation,Z′ > 1 and Packing","Crystal Growth & Design","2014","14","9","4681","","10.1021/cg500772f","","x-ray","0.71073","MoKα","","0.1203","0.0767","","","0.1694","0.1904","","","","","","1.108","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511733","12.3691","0.0005","12.3715","0.0009","15.6775","0.0011","90.07","0.006","113.174","0.005","119.983","0.006","1850.4","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Cu6 N6 O12 S6 -","- C36 H18 Cu6 N6 O12 S6 -","- C36 H18 Cu6 N6 O12 S6 -","1","0.5","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.1019","0.0668","","","0.1901","0.2189","","","","","","0.976","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511734","12.4305","0.0004","12.4305","0.0004","33.8994","0.0017","90","","90","","120","","4536.3","0.3","120","2","120","2","","","","","","","","7","R -3 :H","-R 3","148","Cu,Mn-2-mercaptonicotinic acid","","","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C36 H54 Cu6 Mn3 N6 O30 S6 -","- C108 H162 Cu18 Mn9 N18 O90 S18 -","3","0.166667","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0495","0.037","","","0.0662","0.0713","","","","","","1.037","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511735","12.3484","0.0006","12.466","0.0005","14.098","0.0008","97.148","0.004","108.384","0.005","119.315","0.005","1690.7","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","Cu,Mn-2mercaptonicotinic acid red","","","- C18 H24 Cu3 Mn2 N3 O16 S3 -","- C18 H24 Cu3 Mn2 N3 O16 S3 -","- C36 H48 Cu6 Mn4 N6 O32 S6 -","2","1","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0382","0.0338","","","0.0798","0.0829","","","","","","1.031","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511736","22.5369","0.0005","12.3093","0.0002","25.3732","0.0005","90","","107.09","0.002","90","","6728.1","0.2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag,Mn-2-mercaptonicotinic acid","","","- C36 H18 Ag6 Mn2 N6 O37 S6 -","- C36 H18 Ag6 Mn2 N6 O37 S6 -","- C144 H72 Ag24 Mn8 N24 O148 S24 -","4","0.5","","Kundu, Tanaya; Jana, Ajay Kumar; Natarajan, Srinivasan","Stepwise Crystallization: Illustrative Examples of the Use of Metalloligands [Cu6(mna)6]6‒and [Ag6(Hmna)2(mna)4]4‒(H2mna= 2-Mercapto Nicotinic Acid) in the Formation of Heterometallic Two- and Three-Dimensional Assemblies withbrucite,pcu, andsqlTopologies","Crystal Growth & Design","2014","14","9","4531","","10.1021/cg500632d","","","0.71073","MoKα","","0.0481","0.0418","","","0.1072","0.1113","","","","","","1.052","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511737","17.301","0.003","17.301","0.003","10.1195","0.0017","90","","90","","90","","3029","0.9","150","2","150","2","","","","","","","","4","I 41/a m d :2","-I 4bd 2","141","","","","- C14 H12 Li2 O10 -","- C10 H4 Li2 O8 -","- C80 H32 Li16 O64 -","8","0.25","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0454","0.0434","","","0.1237","0.125","","","","","","1.207","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511738","5.0422","0.0003","7.1471","0.0005","7.2031","0.0005","83.237","0.002","76.586","0.002","81.731","0.002","248.91","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 Li2 O8 -","- C10 H4 Li2 O8 -","- C10 H4 Li2 O8 -","1","0.5","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0374","0.0319","","","0.084","0.0884","","","","","","1.063","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511739","4.9748","0.0002","37.2189","0.0012","16.0246","0.0005","90","","92.582","0.001","90","","2964.05","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 Li N6 O11 -","- C24 H17 Li N6 O7 -","- C96 H68 Li4 N24 O28 -","4","1","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0961","0.0746","","","0.2127","0.2254","","","","","","1.069","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511740","18.6108","0.0007","18.6108","0.0007","19.3734","0.0007","90","","90","","120","","5811.2","0.4","150","2","150","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C86 H101 Li11 O58 -","- C66 H48 Li11 O48.02 -","- C132 H96 Li22 O96.04 -","2","0.166667","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.0929","0.083","","","0.2617","0.2724","","","","","","1.09","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511741","16.3128","0.0004","16.4758","0.0005","29.1404","0.0008","90","","91.924","0.001","90","","7827.5","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H84 Li5 N7 O27 -","- C57 H63 Li5 N6 O25 -","- C228 H252 Li20 N24 O100 -","4","1","","Aliev, Sokhrab B.; Samsonenko, Denis G.; Rakhmanova, Mariana I.; Dybtsev, Danil N.; Fedin, Vladimir P.","Syntheses and Structural Characterization of Lithium Carboxylate Frameworks and Guest-Dependent Photoluminescence Study","Crystal Growth & Design","2014","14","9","4355","","10.1021/cg500477s","","x-ray","0.71073","MoKα","","0.123","0.1004","","","0.3227","0.3444","","","","","","1.365","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511742","7.741","0.005","9.604","0.005","10.2","0.005","113.291","0.005","107.492","0.005","92.45","0.005","652.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mo6 N4 O19 -","- C14 H14 Mo6 N4 O19 -","- C14 H14 Mo6 N4 O19 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0293","0.0285","","","0.0885","0.0892","","","","","","1.095","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511743","11.4391","0.0005","11.9757","0.0005","12.3265","0.0006","67.301","0.001","87.752","0.001","73.715","0.001","1490.78","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H22 Cu Mo4 N6 O14 -","- C21 H20 Cu Mo4 N6 O14 -","- C42 H40 Cu2 Mo8 N12 O28 -","2","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71073","MoKα","","0.0434","0.0295","","","0.0639","0.0699","","","","","","1.013","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511744","9.9705","0.0016","11.4405","0.0019","13.258","0.002","76.876","0.002","78.266","0.003","65.948","0.003","1334.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 N8 O40 P W12 -","- C28 H28 N8 O40 P W12 -","- C28 H28 N8 O40 P W12 -","1","0.5","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71073","MoKα","","0.077","0.0593","","","0.1452","0.1529","","","","","","1.059","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511745","15.117","0.005","24.346","0.005","24.353","0.005","90","0.005","99.291","0.005","90","0.005","8845","4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H55 Cu2 N16 O40 P W12 -","- C56 H55 Cu2 N16 O40 P W12 -","- C224 H220 Cu8 N64 O160 P4 W48 -","4","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.1071","0.0835","","","0.223","0.2372","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511746","14.505","0.005","15.007","0.005","22.506","0.005","88.425","0.005","83.881","0.005","81.521","0.005","4818","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C49 H55 Cu N14 O65 P2 W18 -","- C49 H49 Cu N14 O65 P2 W18 -","- C98 H98 Cu2 N28 O130 P4 W36 -","2","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0835","0.0585","","","0.1486","0.1671","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511747","13.152","0.005","25.208","0.005","34.395","0.005","90","0.005","98.43","0.005","90","0.005","11280","5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C42 H44 Cu3 K N12 O62 P2 W18 -","- C42 H42 Cu3 K N12 O62 P2 W18 -","- C168 H168 Cu12 K4 N48 O248 P8 W72 -","4","1","","Li, Shaobin; Ma, Huiyuan; Pang, Haijun; Zhang, Li","Assembly of Six Polyoxometalate-Based Hybrid Compounds from a Simple Supramolecule to a Complicated Pseudorotaxane Framework via Tuning the pH of the Reaction Systems","Crystal Growth & Design","2014","14","9","4450","","10.1021/cg5005352","","","0.71069","MoKα","","0.0922","0.0718","","","0.1864","0.1975","","","","","","0.926","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511749","11.1905","0.0003","11.1905","0.0003","26.6938","0.0015","90","","90","","120","","2894.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 Gd N4 O9 -","- C18 H13 Gd N4 O9 -","- C108 H78 Gd6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0166","0.0166","","","0.0393","0.0393","","","","","","1.042","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511750","11.1955","0.0003","11.1955","0.0003","26.7384","0.0014","90","","90","","120","","2902.37","0.19","100","2","100","2","","","","","","","","5","P 65","P 65","170","","","","- C18 H13 Eu N4 O9 -","- C18 H13 Eu N4 O9 -","- C108 H78 Eu6 N24 O54 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0163","0.0159","","","0.0385","0.0387","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511751","11.1793","0.0003","11.1793","0.0003","26.6236","0.0015","90","","90","","120","","2881.6","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C18 H13 N4 O9 Tb -","- C18 H13 N4 O9 Tb -","- C108 H78 N24 O54 Tb6 -","6","1","","Mihalcea, Ionut; Zill, Nicolas; Mereacre, Valeriu; Anson, Christopher E.; Powell, Annie K.","Spontaneous Resolution in Homochiral Helical [Ln(nic)2(Hnic)(NO3)] Coordination Polymers Constructed from a Rigid Non-chiral Organic Ligand","Crystal Growth & Design","2014","14","9","4729","","10.1021/cg500827u","","","0.71073","MoKα","","0.0187","0.0186","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4511752","13.22953","0.0002","4.69411","0.000068","6.06453","0.000094","90","","90","","90","","376.613","0.01","743","","743","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","potassium metaarsenate, alpha","","","- As K O3 -","- As K O3 -","- As4 K4 O12 -","4","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","powder diffraction","","1.54056","CuKα~1~","","0.0509","","","","","","","","5.298","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511753","8.9167","0.0009","19.0517","0.0019","12.1362","0.0011","90","","90.149","0.005","90","","2061.7","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0906","0.0314","","","0.0284","0.0336","","","","1.31","1.31","1.12","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511754","8.9748","0.0003","19.1172","0.0006","12.166","0.0003","90","","90.1844","0.0018","90","","2087.35","0.11","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1239","0.0317","","","0.0278","0.0363","","","","1.24","1.24","1.06","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511755","9.0332","0.0004","19.187","0.0008","12.184","0.0005","90","","90.235","0.003","90","","2111.71","0.15","450","","450","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","potassium metaarsenate, beta","","","- As K O3 -","- As K O3 -","- As24 K24 O72 -","24","6","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0926","0.028","","","0.026","0.0313","","","","1.31","1.31","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511756","9.192","0.004","10.285","0.004","11.992","0.003","105.74","0.03","90","0.04","103.69","0.04","1057.7","0.7","573","","573","","","","","","","","","3","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","","","","- As K O3 -","- As K O3 -","- As12 K12 O36 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.7107","MoKα","","0.2063","0.1203","","","0.1492","0.1622","","","","3.31","3.31","2.01","","","","has coordinates","288070","2023-12-06","12:55:45",""
"4511757","9.0742","0.0017","10.2593","0.0017","12.007","0.004","105.375","0.008","90.02","0.03","104.188","0.008","1042.4","0.4","340","","340","","","","","","","","","4","B -1","-P 1 (-1/2*x+1/2*z,-y,1/2*x+1/2*z)","2","potassium metaarsenate, beta","","","- As K0.798 O3 Rb0.202 -","- As K0.797667 O3 Rb0.202333 -","- As12 K9.572 O36 Rb2.428 -","12","","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.1091","0.0424","","","0.0403","0.0458","","","","1.44","1.44","1.16","","","","has coordinates","288070","2023-12-06","12:56:01",""
"4511758","11.3246","0.0001","11.4255","0.0004","4.8816","0.0003","90","","90","","90","","631.63","0.05","100","","100","","","","","","","","","3","P b c n","-P 2n 2ab","60","potassium metaarsenate, gamma","","","- As K O3 -","- As K O3 -","- As8 K8 O24 -","8","1","","Stöger, Berthold; Dušek, Michal","Complex Polymorphism and Polytypism of Potassium Metaarsenate, KAsO3","Crystal Growth & Design","2014","14","9","4640","","10.1021/cg500733w","","x-ray","0.71073","MoKα","","0.0332","0.0257","","","0.0441","0.0445","","","","3.04","3.04","2.81","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511759","25.5845","0.0007","24.5597","0.0007","19.0518","0.0007","90","","105.291","0.004","90","","11547.4","0.7","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H126 Co2 Fe4 N6 O26 -","- C80 H126 Co1.98 Fe4.02 N6 O26 -","- C320 H504 Co7.92 Fe16.08 N24 O104 -","4","0.5","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters","Crystal Growth & Design","2014","14","9","4721","","10.1021/cg5008236","","","0.71073","MoKα","","0.0936","0.0667","","","0.1942","0.2119","","","","","","1.001","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511760","38.8452","0.0008","38.8452","0.0008","24.8241","0.0007","90","","90","","120","","32439.9","1.3","293","2","293","2","","","","","","","","6","P 6/m c c","-P 6 2c","192","","","","- C91.5 H169 Cl3 Fe6 N6 O44 -","- C91.5 H134.484 Cl3 Fe6 N6 O31.01 -","- C732 H1075.87 Cl24 Fe48 N48 O248.08 -","8","0.333333","","Botezat, Olga; van Leusen, Jan; Kravtsov, Victor Ch.; Filippova, Irina G.; Hauser, Jürg; Speldrich, Manfred; Hermann, Raphaël P.; Krämer, Karl W.; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Interpenetrated (8,3)-c and (10,3)-b Metal‒Organic Frameworks Based on {FeIII3} and {FeIII2CoII} Pivalate Spin Clusters","Crystal Growth & Design","2014","14","9","4721","","10.1021/cg5008236","","","0.71073","MoKα","","0.139","0.0849","","","0.2254","0.2464","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511761","6.2062","0.0018","12.573","0.005","22.12","0.01","90","","90","","90","","1726","1.2","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Sarkar, Anindita; Ragab, Doaa; Rohani, Sohrab","Polymorphism of Progesterone: A New Approach for the Formation of Form II and the Relative Stabilities of Form I and Form II","Crystal Growth & Design","2014","14","9","4574","","10.1021/cg5006727","","","0.71073","MoKα","","0.0942","0.0498","","","0.088","0.1031","","","","","","0.989","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511762","25.5408","0.0003","6.8099","0.0001","16.3783","0.0002","90","","95.373","0.001","90","","2836.17","0.06","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 N16 O4 -","- C8 N16 O4 -","- C64 N128 O32 -","8","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0621","0.0418","","","0.1122","0.1287","","","","","","1.055","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511763","30.418","0.0005","7.0834","0.0001","16.039","0.0002","90","","108.686","0.001","90","","3273.65","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H2 Cl N16 O4 -","- C9 H2 Cl N16 O4 -","- C72 H16 Cl8 N128 O32 -","8","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0633","0.0402","","","0.1082","0.1371","","","","","","1.145","","","","has coordinates,has disorder","179664","2020-10-21","18:00:00",""
"4511764","15.1136","0.0017","6.5756","0.0008","18.463","0.002","90","","113.538","0.002","90","","1682.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H3 N17 O4 -","- C10 H3 N17 O4 -","- C40 H12 N68 O16 -","4","1","","Suponitsky, Kyrill Yu.; Lyssenko, Konstantin A.; Ananyev, Ivan V.; Kozeev, Andrei M.; Sheremetev, Aleksei B.","Role of Weak Intermolecular Interactions in the Crystal Structure of Tetrakis-furazano[3,4-c:3′,4′-g:3″,4″-k:3‴,4‴-o][1,2,5,6,9,10,13,14]octaazacyclohexadecine and Its Solvates","Crystal Growth & Design","2014","14","9","4439","","10.1021/cg500533f","","","0.71073","MoKα","","0.0633","0.0391","","","0.0851","0.0961","","","","","","1.006","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511765","5.8452","0.0004","14.3835","0.0009","21.7712","0.0013","90","","92.205","0.003","90","","1829","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N3 O3 S2 -","- C19 H17 N3 O3 S2 -","- C76 H68 N12 O12 S8 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0404","0.0343","","","0.14","0.1477","","","","","","1.262","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511766","8.5613","0.0006","15.6676","0.0009","32.2872","0.0019","90","","90","","90","","4330.8","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H22 N6 O4 S -","- C20 H22 N6 O4 S -","- C160 H176 N48 O32 S8 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0848","0.0588","","","0.1747","0.1923","","","","","","1.212","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511767","11.408","0.002","11.644","0.003","18.448","0.004","90","","101.324","0.014","90","","2402.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O4 S -","- C27 H22 N2 O4 S -","- C108 H88 N8 O16 S4 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0723","0.0404","","","0.1212","0.1461","","","","","","0.935","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511768","22.293","0.002","7.7975","0.0007","16.0553","0.0014","90","","91.814","0.005","90","","2789.5","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N2 O9 S -","- C29 H28 N2 O9 S -","- C116 H112 N8 O36 S4 -","4","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1829","0.0694","","","0.16","0.2169","","","","","","0.964","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511769","17.231","0.007","16.772","0.007","20.727","0.008","90","","90","","90","","5990","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H32 N10 O6 S -","- C28 H32 N10 O6 S -","- C224 H256 N80 O48 S8 -","8","2","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.1394","0.0724","","","0.1663","0.2028","","","","","","0.969","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511770","13.2304","0.0002","30.2578","0.0005","13.691","0.0003","90","","102.448","0.001","90","","5351.98","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 N6 O6 S3 -","- C24 H28 N6 O6 S3 -","- C192 H224 N48 O48 S24 -","8","1","","Jiang, Linglei; Huang, Ying; Zhang, Qi; He, Hongyan; Xu, Yun; Mei, Xuefeng","Preparation and Solid-State Characterization of Dapsone Drug‒Drug Co-Crystals","Crystal Growth & Design","2014","14","9","4562","","10.1021/cg500668a","","","0.71073","MoKα","","0.0685","0.0405","","","0.1223","0.1448","","","","","","0.944","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511771","5.6515","0.0002","15.9119","0.0004","32.7063","0.0009","90","","90","","90","","2941.15","0.15","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0132","0.0132","","","0.0134","0.0134","","","","","","1.662","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511772","17.988","0.0009","10.6195","0.0005","10.8053","0.0005","90","","123.369","0.002","90","","1723.8","0.15","90","","90","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.01","0.01","","","0.0114","0.0114","","","","","","1.984","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511773","11.3455","0.0004","11.6462","0.0004","12.1589","0.0005","90","","94.707","0.002","90","","1601.16","0.1","90","","90","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 N4 S4 -","- C14 H5 F5 N4 S4 -","- C56 H20 F20 N16 S16 -","4","1","","Domagała, Sławomir; Kosc, Krzysztof; Robinson, Sean W.; Haynes, Delia A.; Woźniak, Krzysztof","Dithiadiazolyl Radicals—Structures and Charge Densities of Their Crystals and Co-Crystal","Crystal Growth & Design","2014","14","9","4834","","10.1021/cg501013x","","x-ray","0.71073","MOKα","","0.0122","0.0122","","","0.0085","0.0085","","","","","","1.611","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511785","7.9669","0.0005","9.9375","0.0007","8.7046","0.0005","90","","90.186","0.005","90","","689.15","0.08","130","2","130","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H6 Li N O4 -","- C6 H6 Li N O4 -","- C24 H24 Li4 N4 O16 -","4","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0513","0.0475","","","0.1387","0.1412","","","","","","1.205","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511786","13.5472","0.0006","8.7132","0.0005","10.7662","0.0004","90","","99.987","0.004","90","","1251.58","0.1","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H4 Li N O3 -","- C6 H4 Li N O3 -","- C48 H32 Li8 N8 O24 -","8","1","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0429","0.0353","","","0.0919","0.0964","","","","","","1.033","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511787","7.9541","0.0002","9.8412","0.0003","8.8672","0.0003","90","","95.5","0.003","90","","690.91","0.04","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca N2 O8 -","- C12 H12 Ca N2 O8 -","- C24 H24 Ca2 N4 O16 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0409","0.0389","","","0.0983","0.1015","","","","","","1.122","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511788","7.0489","0.0006","10.8422","0.0007","8.0341","0.0007","90","","107.826","0.009","90","","584.53","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Ca N2 O6 -","- C12 H8 Ca N2 O6 -","- C24 H16 Ca2 N4 O12 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0679","0.0581","","","0.1654","0.1752","","","","","","1.151","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511789","7.9338","0.0001","9.8353","0.0001","8.8614","0.0002","90","","95.497","0.002","90","","688.287","0.019","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Ca N2 O8 -","- C12 H12 Ca N2 O8 -","- C24 H24 Ca2 N4 O16 -","2","0.5","","White, Keith F.; Abrahams, Brendan F.; Maynard-Casely, Helen; Robson, Richard","Li+and Ca2+Derivatives of the Isonicotinate-N-oxide Ion Including Single Crystal-to-Single Crystal Transformations","Crystal Growth & Design","2014","14","9","4602","","10.1021/cg500710t","","","1.54184","CuKα","","0.0374","0.0359","","","0.0989","0.1007","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511790","5.8501","0.0005","7.8284","0.0006","13.0761","0.0012","74.624","0.008","83.442","0.007","86.913","0.007","573.46","0.09","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","- C32 H24 N2 O2 -","1","0.5","","Calvo-Castro, Jesus; Warzecha, Monika; Kennedy, Alan R.; McHugh, Callum J.; McLean, Andrew J.","Impact of Systematic Structural Variation on the Energetics of π‒π Stacking Interactions and Associated Computed Charge Transfer Integrals of Crystalline Diketopyrrolopyrroles","Crystal Growth & Design","2014","14","9","4849","","10.1021/cg5010165","","","1.5418","CuKα","","0.0457","0.0404","","","0.1073","0.1113","","","","","","1.074","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511791","7.9661","0.0003","8.3365","0.0001","14.932","0.001","76.996","0.012","89.811","0.014","63.693","0.009","860.83","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H6 Cl2 Cu N5 O2 S -","- C14 H6 Cl2 Cu N5 O2 S -","- C28 H12 Cl4 Cu2 N10 O4 S2 -","2","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.1141","0.0688","","","0.1784","0.2061","","","","","","0.899","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511792","6.568","0.005","10.251","0.005","16.7","0.005","90","","90.825","0.005","90","","1124.3","1.1","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 K N4 O2 S -","- C12 H6 K N4 O2 S -","- C48 H24 K4 N16 O8 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.0591","0.0397","","","0.0798","0.0877","","","","","","1.033","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511793","4.5099","0.0007","14.472","0.002","16.237","0.003","90","","92.832","0.002","90","","1058.5","0.3","100","1","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 O2 S -","- C12 H6 N4 O2 S -","- C48 H24 N16 O8 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.0571","0.0375","","","0.09","0.0983","","","","","","1.027","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511794","3.8047","0.0008","14.994","0.002","17.142","0.002","90","","89.883","0.009","90","","977.9","0.3","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N4 S -","- C12 H6 N4 S -","- C48 H24 N16 S4 -","4","1","","Pinkowicz, Dawid; Li, Zhanyong; Pietrzyk, Piotr; Rams, Michał","New Thiadiazole Dioxide Bridging Ligand with a Stable Radical Form for the Construction of Magnetic Coordination Chains","Crystal Growth & Design","2014","14","10","4878","","10.1021/cg500906w","","","0.71073","MoKα","","0.2141","0.1915","","","0.4376","0.4495","","","","","","1.087","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511795","15.761","0.003","29.264","0.006","16.66","0.003","90","","108.583","0.003","90","","7283","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 Dy4 K4 N18 O52 -","- C126 H176 Dy4 K4 N18 O52 -","- C252 H352 Dy8 K8 N36 O104 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0726","0.0558","","","0.1576","0.1875","","","","","","1.08","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511796","15.866","0.003","29.287","0.006","16.679","0.003","90","","108.797","0.003","90","","7337","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C130 H180 Gd4 K4 N18 O50 -","- C130 H180 Gd4 K4 N18 O50 -","- C260 H360 Gd8 K8 N36 O100 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0811","0.0574","","","0.1545","0.1865","","","","","","1.067","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511797","15.797","0.003","29.291","0.006","16.648","0.004","90","","108.484","0.004","90","","7306","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H176 K4 N18 O52 Tb4 -","- C126 H176 K4 N18 O52 Tb4 -","- C252 H352 K8 N36 O104 Tb8 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71073","MoKα","","0.0839","0.0601","","","0.1569","0.176","","","","","","1.039","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511798","15.874","0.005","29.111","0.005","16.677","0.005","90","0.005","107.326","0.005","90","0.005","7357","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C126 H172 Ho4 K4 N18 O50 -","- C126 H172 Ho4 K4 N18 O50 -","- C252 H344 Ho8 K8 N36 O100 -","2","0.5","","Bag, Prasenjit; Chakraborty, Amit; Rouzières, Mathieu; Clérac, Rodolphe; Butcher, Raymond J.; Chandrasekhar, Vadapalli","Oxalato-Bridged Neutral Octanuclear Heterometallic Complexes [Ln4K4(L)4(μ-H2O)4(NO3)2(μ-Ox)] (Ln = Dy(III), Gd(III), Tb(III), Ho(III); LH3= N[CH2CH2N═CH-C6H3-2-OH-3-OMe]3; Ox = (C2O4)2‒): Synthesis, Structure, Magnetic and Luminescent Properties","Crystal Growth & Design","2014","14","9","4583","","10.1021/cg500677t","","","0.71069","MoKα","","0.1027","0.0857","","","0.2238","0.2376","","","","","","1.158","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511799","7.6168","0.0016","9.243","0.002","19.802","0.005","101.716","0.016","98.529","0.016","94.415","0.016","1341.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Cl6 N6 O8 Zn2 -","- C49 H36 Cl6 N6 O8 Zn2 -","- C49 H36 Cl6 N6 O8 Zn2 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.2499","0.1227","","","0.2916","0.367","","","","","","1.065","","","","has coordinates","179664","2020-10-21","18:00:00",""
"4511800","8.3082","0.0002","9.5031","0.0002","15.9217","0.0003","84.604","0.001","89.685","0.001","84.055","0.001","1244.76","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","- C45 H29 Br4 Cl3 N4 O8 Zn2 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.0658","0.0539","","","0.168","0.1796","","","","","","1.066","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511801","7.7533","0.0004","38.95","0.002","9.3528","0.0005","90","","95.634","0.004","90","","2810.8","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H66 Br18 N8 O16 Zn4 -","- C93 H66 Br18 N8 O16 Zn4 -","- C93 H66 Br18 N8 O16 Zn4 -","1","0.5","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.1782","0.1101","","","0.3195","0.3677","","","","","","1.058","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511802","9.7602","0.0001","17.0271","0.0002","17.4437","0.0002","115.223","0.001","96.034","0.001","94.901","0.001","2580.54","0.06","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 Cl2 I4 N4 O8 Zn2 -","- C45 H30 Cl2 I4 N4 O8 Zn2 -","- C90 H60 Cl4 I8 N8 O16 Zn4 -","2","1","","Park, Minwoo; Kim, Hyeun; Lee, Haeri; Noh, Tae Hwan; Jung, Ok-Sang","Host‒Guest Chemistry of 1D Suprachannels and Dihalomethane Molecules: Metallacyclodimeric Ensembles Consisting of Zinc(II)-2,7-bis(nicotinoyloxy)naphthalene Complexes","Crystal Growth & Design","2014","14","9","4461","","10.1021/cg5009889","","","0.71073","MoKα","","0.0558","0.0453","","","0.1265","0.1371","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511803","10.725","0.0011","15.204","0.0016","17.3541","0.0018","90","","99.413","0.002","90","","2791.7","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Ba3 O31 V2 -","- C10 H4 Ba3 O31 V2 -","- C40 H16 Ba12 O124 V8 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0484","0.0456","","","0.0945","0.0955","","","","","","1.36","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511804","10.2354","0.0019","15.455","0.003","17.536","0.003","90","","98.718","0.003","90","","2741.9","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Ba3 O28 V2 -","- C10 H12 Ba3 O28 V2 -","- C40 H48 Ba12 O112 V8 -","4","0.5","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0187","0.0185","","","0.0429","0.0429","","","","","","1.272","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511805","10.2382","0.001","14.5463","0.0014","15.2328","0.0014","90","","90.807","0.002","90","","2268.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ba3 O24.13 V2 -","- C10 H4 Ba3 O24.135 V2 -","- C40 H16 Ba12 O96.54 V8 -","4","1","","Abeysinghe, Dileka; Smith, Mark D.; Yeon, Jeongho; Morrison, Gregory; zur Loye, Hans-Conrad","Observation of Multiple Crystal-to-Crystal Transitions in a New Reduced Vanadium Oxalate Hybrid Material, Ba3[(VO)2(C2O4)5(H2O)6]·(H2O)3, Prepared via a Mild, Two-Step Hydrothermal Method","Crystal Growth & Design","2014","14","9","4749","","10.1021/cg500888u","","","0.71073","MoKα","","0.0415","0.0331","","","0.069","0.0717","","","","","","1.143","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511806","14.8814","0.0015","25.3457","0.0024","33.962","0.0028","90","","90","","90","","12810","2","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Lamivudine Duplex III","","","- C96 H137.3 N30 O51.66 S10 -","- C96 H137.3 N30 O51.65 S10 -","- C384 H549.2 N120 O206.6 S40 -","4","1","","Vasconcelos, Alline Torquato; da Silva, Cameron Capeletti; Queiroz Júnior, Luiz Henrique Keng; Santana, Mábio João; Ferreira, Vinicius Sousa; Martins, Felipe Terra","Lamivudine as a Nucleoside Template To Engineer DNA-Like Double-Stranded Helices in Crystals","Crystal Growth & Design","2014","14","9","4691","","10.1021/cg500786m","","","0.71073","MoKα","","0.2233","0.0941","","","0.2306","0.3029","","","","","","0.986","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511807","12.18","0.017","12.254","0.017","12.875","0.018","90","","99.925","0.019","90","","1893","5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cl F6 Fe O2 -","- C20 H13 Cl F6 Fe O2 -","- C80 H52 Cl4 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0674","0.0535","","","0.1431","0.1586","","","","","","1.075","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511808","12.365","0.013","12.487","0.013","13.01","0.014","90","","90","","90","","2009","4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0899","0.0607","","","0.1322","0.1473","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511809","6.0873","0.0004","8.9751","0.0009","16.8198","0.0015","90","","90","","90","","918.94","0.14","120","1","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 Co N2 O6 -","- C6 H10 Co N2 O6 -","- C24 H40 Co4 N8 O24 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","1.54184","CuKα","","0.0529","0.0474","","","0.1265","0.134","","","","","","0.826","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511810","7.806","0.005","20.715","0.012","12.467","0.007","90","","94.56","0.008","90","","2010","2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl2 F6 Fe O2 -","- C20 H12 Cl2 F6 Fe O2 -","- C80 H48 Cl8 F24 Fe4 O8 -","4","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0595","0.0465","","","0.1132","0.1224","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511811","7.35","0.004","8.248","0.005","17.977","0.01","87.036","0.016","89.136","0.016","71.771","0.01","1033.7","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Cl3 F6 Fe O2 -","- C20 H11 Cl3 F6 Fe O2 -","- C40 H22 Cl6 F12 Fe2 O4 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.71073","MoKα","","0.0727","0.0521","","","0.1137","0.1285","","","","","","1.086","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511812","4.8075","0.0002","9.4727","0.0005","9.7014","0.0004","90","","95.763","0.004","90","","439.57","0.03","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H10 N2 O6 Zn -","- C6 H10 N2 O6 Zn -","- C12 H20 N4 O12 Zn2 -","2","1","","Emami, Seyedali; Paz, Filipe A. Almeida; Mendes, Adélio; Gales, Luís","Toward the Construction of 3D Dipeptide‒Metal Frameworks","Crystal Growth & Design","2014","14","9","4777","","10.1021/cg500925x","","","0.68239","synchrotron","","0.0676","0.0668","","","0.1682","0.1694","","","","","","1.071","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511813","3.9187","0.0003","11.9054","0.001","16.2554","0.0014","100.98","0.001","91.214","0.001","94.833","0.001","741.31","0.11","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0457","0.0366","","","0.0999","0.1056","","","","","","0.962","","","","has coordinates","288466","2023-12-21","08:55:29",""
"4511814","18.46","0.007","4.0402","0.0015","19.941","0.007","90","","91.544","0.004","90","","1486.7","0.9","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C80 H56 N8 -","4","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0801","0.0506","","","0.1153","0.1282","","","","","","1.04","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511815","5.4806","0.0016","12.043","0.003","12.301","0.004","71.769","0.003","79.633","0.003","78.979","0.003","750.6","0.4","183","2","183","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Sonoda, Yoriko; Goto, Midori; Norikane, Yasuo; Azumi, Reiko","Crystal Structures and Fluorescence Spectroscopic Properties of Cyano-Substituted Diphenylhexatrienes","Crystal Growth & Design","2014","14","9","4781","","10.1021/cg5009363","","","0.71073","MoKα","","0.0362","0.0331","","","0.0935","0.0965","","","","","","0.95","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511816","6.6287","0.0003","24.2017","0.0012","8.4264","0.0005","90","","92.11","0.002","90","","1350.9","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Co N4 O10 -","- C30 H22 Co N4 O10 -","- C60 H44 Co2 N8 O20 -","2","0.5","","Wu, Jing-Yun; Hsiao, Cheng-Chu; Chiang, Ming-Hsi","Concomitant Crystallization of Genuine Supramolecular Isomeric Rhombus Grid and Ribbon","Crystal Growth & Design","2014","14","9","4321","","10.1021/cg500380v","","","0.71073","MoKα","","0.064","0.0491","","","0.0907","0.0948","","","","","","1.171","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511817","10.519","0.003","12.038","0.003","13.1","0.003","95.687","0.005","111.148","0.005","112.522","0.006","1373.8","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Co N4 O10 -","- C30 H22 Co N4 O10 -","- C60 H44 Co2 N8 O20 -","2","1","","Wu, Jing-Yun; Hsiao, Cheng-Chu; Chiang, Ming-Hsi","Concomitant Crystallization of Genuine Supramolecular Isomeric Rhombus Grid and Ribbon","Crystal Growth & Design","2014","14","9","4321","","10.1021/cg500380v","","","0.71073","MoKα","","0.0618","0.0488","","","0.1253","0.1314","","","","","","1.082","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511818","3.8644","0.0001","3.8644","0.0001","13.1678","0.0007","90","","90","","90","","196.642","0.013","293","2","293","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F2 Fe2 O6 Sr4 -","2","0.125","","Tsujimoto, Yoshihiro; Matsushita, Yoshitaka; Hayashi, Naoaki; Yamaura, Kazunari; Uchikoshi, Tetsuo","Anion Order-to-Disorder Transition in Layered Iron Oxyfluoride Sr2FeO3F Single Crystals","Crystal Growth & Design","2014","14","9","4278","","10.1021/cg500484e","","","0.71073","MoKα","","0.0348","0.0324","","","0.0829","0.0845","","","","","","1.269","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511819","47.0072","0.0017","5.4802","0.0002","9.5037","0.0004","90","","101.488","0.002","90","","2399.19","0.16","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","1.54178","CuKα","","0.0369","0.0329","","","0.0772","0.0793","","","","","","1.06","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511820","47.646","0.005","5.5179","0.0005","9.5052","0.0009","90","","98.313","0.006","90","","2472.7","0.4","250","2","250","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H17 N O3 -","- C12 H17 N O3 -","- C96 H136 N8 O24 -","8","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","1.54178","CuKα","","0.0487","0.042","","","0.1121","0.1177","","","","","","1.072","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511821","4.571","0.004","10.174","0.008","19.653","0.016","90","","90","","90","","914","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C28 H68 N4 O20 -","4","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0815","0.0549","","","0.1176","0.1261","","","","","","1.096","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511822","4.819","0.006","5.131","0.006","9.627","0.011","104.662","0.013","93.985","0.014","92.586","0.014","229.2","0.5","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C7 H17 N O5 -","- C7 H17 N O5 -","- C7 H17 N O5 -","1","1","","Nauha, Elisa; Bernstein, Joel","“Predicting” Crystal Forms of Pharmaceuticals Using Hydrogen Bond Propensities: Two Test Cases","Crystal Growth & Design","2014","14","9","4364","","10.1021/cg500478p","","","0.71073","MoKα","","0.0365","0.0345","","","0.0922","0.0984","","","","","","1.108","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511823","10.6915","0.0006","10.5459","0.0005","13.2126","0.0006","90","","112.41","0.008","90","","1377.23","0.14","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O6 S2 -","- C11 H11 N3 O6 S2 -","- C44 H44 N12 O24 S8 -","4","1","","Koike, Ryuta; Higashi, Kenjirou; Liu, Nan; Limwikrant, Waree; Yamamoto, Keiji; Moribe, Kunikazu","Structural Determination of a Novel Polymorph of Sulfathiazole‒Oxalic Acid Complex in Powder Form by Solid-State NMR Spectroscopy on the Basis of Crystallographic Structure of Another Polymorph","Crystal Growth & Design","2014","14","9","4510","","10.1021/cg5005903","","","0.71075","MoKα","","","0.0333","","","","0.0901","","","","","","1.255","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511824","4.9209","0.0003","8.6115","0.0005","9.4689","0.0006","72.466","0.003","75.129","0.003","89.747","0.003","368.64","0.04","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC succinic acid","","","- C6 H7 F N3 O3 -","- C6 H7 F N3 O3 -","- C12 H14 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.0436","0.0381","","","","0.1273","","","","","","1.103","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511825","5.2742","0.0005","6.665","0.0007","12.8441","0.0013","86.411","0.006","80.757","0.006","71.97","0.006","423.72","0.08","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC adipic acid","","","- C7 H9 F N3 O3 -","- C7 H9 F N3 O3 -","- C14 H18 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.059","0.0506","","","","0.1436","","","","","","1.112","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511826","3.6265","0.0003","9.5274","0.0008","13.7902","0.0012","107.812","0.005","92.036","0.004","96.844","0.004","449.09","0.07","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","Cocrystal 5FC tereftalic acid","","","- C8 H7 F N3 O3 -","- C8 H7 F N3 O3 -","- C16 H14 F2 N6 O6 -","2","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.0607","0.0449","","","","0.1217","","","","","","1.074","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511827","20.898","0.0004","14.859","0.0009","7.244","0.0011","90","","107.178","0.003","90","","2149.1","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 F N3 O6 -","- C8 H10 F N3 O6 -","- C64 H80 F8 N24 O48 -","8","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.162","0.0719","","","","0.2266","","","","","","1.012","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511828","9.0565","0.0002","5.4318","0.0002","22.8887","0.0008","90","","92.87","0.001","90","","1124.55","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co-crystal of 5FC with benzoic acid","","","- C11 H10 F N3 O3 -","- C11 H10 F N3 O3 -","- C44 H40 F4 N12 O12 -","4","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","0.71073","MoKα","","0.081","0.0481","","","","0.1418","","","","","","1.033","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511829","15.0176","0.0003","3.5604","0.0001","27.3113","0.0004","90","","138.282","0.001","90","","971.78","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F2 N5 O3 -","- C8 H7 F2 N5 O3 -","- C32 H28 F8 N20 O12 -","4","1","","da Silva, Cecília C. P.; Pepino, Rebeka de O.; de Melo, Cristiane C.; Tenorio, Juan C.; Ellena, Javier","Controlled Synthesis of New 5-Fluorocytosine Cocrystals Based on the pKaRule","Crystal Growth & Design","2014","14","9","4383","","10.1021/cg500502j","","","1.54178","CuKα","","0.0359","0.0312","","","","0.0879","","","","","","1.069","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511830","10.6569","0.0002","11.2177","0.0003","23.0926","0.0005","79.945","0.001","80.684","0.001","87.827","0.001","2682.24","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C68 H78 O4 -","- C68 H78 O4 -","- C136 H156 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.1073","0.0551","","","0.1127","0.1354","","","","","","1.003","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511831","26.9959","0.0012","24.2344","0.0011","18.7233","0.0008","90","","120.515","0.001","90","","10552.8","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H69 N O3 -","- C63 H69 N O3 -","- C504 H552 N8 O24 -","8","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.078","0.0487","","","0.1288","0.16","","","","","","1.059","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511832","10.2087","0.0002","11.864","0.0002","22.639","0.0004","90","","98.31","0.001","90","","2713.16","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 Cl6 O2 -","- C62 H64 Cl6 O2 -","- C124 H128 Cl12 O4 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0497","0.0361","","","0.0862","0.0939","","","","","","1.03","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511833","10.8003","0.0006","11.0836","0.0006","24.7588","0.0013","77.994","0.003","89.734","0.003","63.611","0.002","2583.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H70 O4 -","- C64 H70 O4 -","- C128 H140 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0931","0.0546","","","0.1521","0.1726","","","","","","1","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511834","9.9877","0.0002","15.4374","0.0004","12.8383","0.0003","90","","96.61","0.001","90","","1966.3","0.08","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 O6 -","- C52 H46 O6 -","- C104 H92 O12 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0577","0.0389","","","0.0893","0.0992","","","","","","1.013","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511835","11.6011","0.0004","13.1091","0.0005","15.2093","0.0005","88.122","0.002","87.395","0.002","84.615","0.002","2299.5","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H62 O2 -","- C60 H62 O2 -","- C120 H124 O4 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0862","0.0497","","","0.1294","0.1653","","","","","","1.024","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511836","13.9048","0.0003","13.6994","0.0003","10.1484","0.0002","90","","93.781","0.001","90","","1928.93","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 N2 O4 -","- C50 H44 N2 O4 -","- C100 H88 N4 O8 -","2","0.5","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0491","0.0383","","","0.0982","0.106","","","","","","0.997","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511837","11.3706","0.0002","13.0603","0.0003","13.1504","0.0003","97.421","0.001","107.212","0.001","109.961","0.001","1694.76","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C47 H36 O3 -","- C47 H36 O3 -","- C94 H72 O6 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0694","0.05","","","0.1232","0.1361","","","","","","1.024","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511838","10.6432","0.0003","11.3772","0.0003","22.7292","0.0007","80.527","0.001","80.408","0.001","87.917","0.002","2676.68","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H74 O4 -","- C66 H74 O4 -","- C132 H148 O8 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.0708","0.0588","","","0.152","0.163","","","","","","1.015","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511839","10.9784","0.0005","14.2909","0.0006","19.6702","0.0009","98.144","0.002","95.506","0.002","107.769","0.002","2877.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H82 O7 -","- C69.468 H80.936 O6.734 -","- C138.936 H161.872 O13.468 -","2","1","","Klien, Henrik; Seichter, Wilhelm; Weber, Edwin","Versatility in Complexation of Aprotic Guest Molecules by Terphenyl-Based Bisfluorenol Hosts. Structural Modes in the Crystalline Inclusions and of a Guest-Free Host Compound","Crystal Growth & Design","2014","14","9","4371","","10.1021/cg500497g","","","0.71073","MoKα","","0.1147","0.0544","","","0.1273","0.1681","","","","","","0.993","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511840","28.707","0.007","28.707","0.007","24.682","0.011","90","","90","","120","","17615","10","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C24 H10 O9 Zn -","- C24 H10 O9 Zn -","- C432 H180 O162 Zn18 -","18","1","","He, Hongming; Sun, Fuxing; Jia, Jiangtao; Bian, Zheng; Zhao, Nian; Qiu, Xuepeng; Gao, Lianxun; Zhu, Guangshan","Fluorescent Dodecapus in 3D Framework","Crystal Growth & Design","2014","14","9","4258","","10.1021/cg501012e","","","0.71073","MoKα","","0.112","0.0555","","","0.1313","0.1482","","","","","","0.875","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511841","8.5236","0.0014","10.0435","0.0017","13.64","0.003","90","","106.075","0.005","90","","1122","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H13 F6 N2 P -","- C7 H13 F6 N2 P -","- C28 H52 F24 N8 P4 -","4","1","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.0564","0.0467","","","0.1265","0.1352","","","","","","1.029","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511842","14.4143","0.0007","14.2106","0.0008","13.4918","0.0006","90","","109.466","0.002","90","","2605.6","0.2","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H20 F6 N P -","- C9 H20 F6 N P -","- C72 H160 F48 N8 P8 -","8","2","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.1133","0.057","","","0.138","0.1755","","","","","","0.983","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511843","8.8517","0.0005","9.1524","0.0005","9.2668","0.0005","63.953","0.002","64.555","0.002","85.076","0.002","604.15","0.06","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 F6 N P -","- C9 H14 F6 N P -","- C18 H28 F12 N2 P2 -","2","1","","Maximo, Guilherme J.; Santos, Ricardo J. B. N.; Brandão, Paula; Esperança, José M. S. S.; Costa, Mariana C.; Meirelles, Antonio J. A.; Freire, Mara G.; Coutinho, João A. P.","Generating Ionic Liquids from Ionic Solids: An Investigation of the Melting Behavior of Binary Mixtures of Ionic Liquids","Crystal Growth & Design","2014","14","9","4270","","10.1021/cg500655s","","","0.71073","MoKα","","0.0522","0.0443","","","0.1226","0.1312","","","","","","1.027","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511844","7.311","0.001","12.674","0.001","13.968","0.0001","92.78","0.01","91.73","0.01","91.83","0.01","1291.4","0.2","298","2","296","2","","","","","","","","5","P -1","-P 1","2","","Trithiocyanuric acid+4,4'-bipyridine+DMSO","","- C18 H20 N8 O S7 -","- C18 H20 N8 O S7 -","- C36 H40 N16 O2 S14 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0536","0.038","","","0.1236","0.1422","","","","","","0.991","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511845","8.879","0.001","8.407","0.001","20.279","0.001","90","","91.51","0","90","","1513.2","0.3","298","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+ 4,4'-bipyridine","","- C13 H11 N5 S3 -","- C13 H11 N5 S3 -","- C52 H44 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0666","0.0421","","","0.1059","0.1193","","","","","","1.031","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511846","4.369","0.001","29.078","0.006","9.186","0.002","90","","102.27","0.01","90","","1140.3","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Trithiocyanuric acid+1,7-phenonthroline","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C36 H28 N16 S12 -","2","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.7107","MoKα","","0.0406","0.0395","","","0.0988","0.0997","","","","","","1.162","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511847","15.61","0.001","13.199","0.001","7.945","0.001","90","","102.78","0.01","90","","1596.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+1,7-phenanthroline","","- C15 H11 N5 S3 -","- C15 H11 N5 S3 -","- C60 H44 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0481","0.0354","","","0.0858","0.0939","","","","","","1.018","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511848","7.084","0.001","10.356","0.001","11.362","0.001","66.83","0.01","85.04","0.01","78.22","0.01","750.15","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","Trithiocyanuric acid+1,2-bis(4-pyridyl)ethane","","- C18 H18 N8 S6 -","- C18 H18 N8 S6 -","- C18 H18 N8 S6 -","1","0.5","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0925","0.0812","","","0.2781","0.2919","","","","","","2.208","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511849","17.584","0.003","6.682","0.001","14.452","0.002","90","","99.18","0.01","90","","1676.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trithiocyanuric acid+4,4'-bpyea","","- C15 H15 N5 S3 -","- C15 H15 N5 S3 -","- C60 H60 N20 S12 -","4","1","","Nagarajan, V.; Pedireddi, Venkateswara Rao","Preparation of Multiple Cocrystals of Trithiocyanuric Acid with Some N-Donor Compounds","Crystal Growth & Design","2014","14","9","4803","","10.1021/cg500961n","","","0.71073","MoKα","","0.0906","0.0716","","","0.1298","0.1361","","","","","","1.264","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511850","9.1127","0.0003","13.0832","0.0005","18.4154","0.0007","90","","97.724","0.003","90","","2175.62","0.14","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 Ni O10 -","- C22 H22 N2 Ni O10 -","- C88 H88 N8 Ni4 O40 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.0618","0.0514","","","0.1572","0.1688","","","","","","1.032","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511851","9.0212","0.0005","13.2138","0.0009","30.273","0.002","90","","91.213","0.006","90","","3607.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H34 Co N4 O12 -","- C40 H30 Co N4 O12 -","- C160 H120 Co4 N16 O48 -","4","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1105","0.0936","","","0.1905","0.1993","","","","","","1.087","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511852","8.8003","0.0005","14.7244","0.001","16.5169","0.0014","98.647","0.006","93.17","0.006","98.561","0.005","2085.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cu N4 O9 -","- C40 H26 Cu N4 O9 -","- C80 H52 Cu2 N8 O18 -","2","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1458","0.0877","","","0.2156","0.2399","","","","","","1.168","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511853","5.5869","0.0004","12.0319","0.0013","14.528","0.0015","107.552","0.009","100.654","0.007","97.99","0.007","895.09","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Co N4 O12 -","- C42 H36 Co N4 O12 -","- C42 H36 Co N4 O12 -","1","0.5","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.067","0.0561","","","0.1147","0.1209","","","","","","1.068","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511854","15.1823","0.0011","7.801","0.0006","31.418","0.002","90","","90","","90","","3721.1","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H16 Cu N2 O7 -","- C21 H16 Cu N2 O7 -","- C168 H128 Cu8 N16 O56 -","8","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.089","0.0406","","","0.0946","0.1389","","","","","","1.001","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511855","17.018","0.0005","17.8705","0.0007","20.812","0.0007","65.116","0.003","83.339","0.003","69.993","0.003","5392.3","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H101 Cu3 N12 O27 -","- C126 H95 Cu3 N12 O27 -","- C252 H190 Cu6 N24 O54 -","2","1","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1032","0.064","","","0.1565","0.1847","","","","","","1.072","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511856","5.5839","0.0012","12.097","0.003","14.595","0.003","107.883","0.011","100.455","0.011","97.851","0.012","903","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Mn N4 O12 -","- C42 H36 Mn N4 O12 -","- C42 H36 Mn N4 O12 -","1","0.5","","Nath, Jayanta K.; Mondal, Abhishake; Powell, Annie K.; Baruah, Jubaraj B.","Structures, Magnetic Properties, and Photoluminescence of Dicarboxylate Coordination Polymers of Mn, Co, Ni, Cu HavingN-(4-Pyridylmethyl)-1,8-naphthalimide","Crystal Growth & Design","2014","14","9","4735","","10.1021/cg500882z","","","0.71073","MoKα","","0.1531","0.0778","","","0.1299","0.1535","","","","","","0.987","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511857","6.955","0.004","9.014","0.005","11.195","0.006","90","","106.423","0.009","90","","673.2","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-fluoro benzoyl chloride","4-Fluoro benzoyl chloride","","- C7 H4 Cl F O -","- C7 H4 Cl F O -","- C28 H16 Cl4 F4 O4 -","4","1","","Dikundwar, Amol G.; Guru Row, Tayur N.","Tracing a Crystallization Pathway of an RT Liquid, 4-Fluorobenzoyl Chloride: Metastable Polytypic Form as an Intermediate Phase","Crystal Growth & Design","2014","14","9","4230","","10.1021/cg500460n","","","0.71073","MoKα","","0.1026","0.0883","","","0.2694","0.2854","","","","","","1.168","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511859","4.8111","0.0006","19.933","0.003","5.483","0.0007","90","","103.41","0.002","90","","511.48","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0274","0.0257","","","0.0567","0.0572","","","","","","1.048","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511860","4.8207","0.0007","19.966","0.003","5.5008","0.0007","90","","103.363","0.002","90","","515.12","0.13","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0259","0.0239","","","0.054","0.0548","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511861","4.814","0.0012","19.924","0.005","5.5056","0.0014","90","","103.356","0.004","90","","513.8","0.2","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.039","0.0362","","","0.09","0.0916","","","","","","1.063","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511862","4.8259","0.0007","19.954","0.003","5.5272","0.0008","90","","103.186","0.002","90","","518.21","0.13","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0327","0.0286","","","0.0608","0.0623","","","","","","1.05","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511863","4.8387","0.0009","19.991","0.004","5.5464","0.001","90","","103.104","0.003","90","","522.54","0.17","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0374","0.0315","","","0.0666","0.069","","","","","","1.054","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511864","4.833","0.0016","19.978","0.007","5.5547","0.0019","90","","103.038","0.005","90","","522.5","0.3","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.037","0.0317","","","0.0703","0.0727","","","","","","1.067","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511865","4.8367","0.0009","19.97","0.004","5.5587","0.001","90","","102.953","0.003","90","","523.25","0.17","323","","323","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0446","0.0374","","","0.0805","0.084","","","","","","1.064","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511866","4.8314","0.0008","19.955","0.003","5.547","0.001","90","","103.005","0.003","90","","521.07","0.15","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0394","0.0333","","","0.0703","0.0728","","","","","","1.046","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511867","4.8298","0.0007","19.955","0.003","5.5441","0.0008","90","","103.05","0.002","90","","520.53","0.13","273","","273","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0368","0.0311","","","0.0697","0.0722","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511868","4.8255","0.0006","19.958","0.003","5.5336","0.0007","90","","103.141","0.002","90","","518.97","0.12","223","","223","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0301","0.0266","","","0.0584","0.06","","","","","","1.052","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511869","4.8117","0.0007","19.917","0.003","5.5101","0.0008","90","","103.221","0.002","90","","514.06","0.13","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0262","0.0239","","","0.0501","0.0509","","","","","","1.056","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511870","4.8078","0.0006","19.908","0.003","5.4958","0.0007","90","","103.298","0.002","90","","511.92","0.12","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0242","0.0224","","","0.0473","0.0479","","","","","","1.058","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511871","4.809","0.0006","19.923","0.003","5.4926","0.0007","90","","103.349","0.002","90","","512.03","0.12","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 Ag2 N3 O5 -","- C7 H11 Ag2 N3 O5 -","- C14 H22 Ag4 N6 O10 -","2","1","","Miyake, Ryosuke; Nakagawa, Yuki; Hase, Mariko","Selective Thermal Elongation of Metal‒Metal Distances in the Two-Dimensional Assembly of Ag(I) Ions Templated by Assembled Peptide Ligands","Crystal Growth & Design","2014","14","10","4882","","10.1021/cg5009347","","","0.71073","MoKα","","0.0236","0.0219","","","0.0496","0.0501","","","","","","1.043","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511872","5.5048","0.0004","6.445","0.0005","19.4446","0.0014","90","","90.435","0.001","90","","689.84","0.09","300","","300","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.073","0.0539","","","0.1463","0.1598","","","","","","1.028","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511873","5.4415","0.0003","6.3079","0.0003","19.222","0.0009","90","","91.243","0.001","90","","659.63","0.06","90","","90","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0447","0.041","","","0.1127","0.1166","","","","","","1.043","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511874","16.3369","0.0012","7.4739","0.0006","22.5773","0.0017","90","","90","","90","","2756.7","0.4","300","","300","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0983","0.0661","","","0.1446","0.168","","","","","","1.063","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511875","16.1474","0.0008","7.2794","0.0004","22.4687","0.0011","90","","90","","90","","2641","0.2","90","","90","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C17 H18 -","- C17 H18 -","- C136 H144 -","8","1","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0488","0.0444","","","0.1179","0.1225","","","","","","1.069","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511876","10.5992","0.0006","6.5465","0.0004","10.7201","0.0006","90","","97.286","0.001","90","","737.84","0.07","300","","300","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0794","0.0681","","","0.2382","0.2559","","","","","","1.101","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511877","10.4841","0.0002","6.5711","0.0001","10.3523","0.0002","90","","97.34","0.001","90","","707.35","0.02","90","","90","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 -","- C18 H22 -","- C36 H44 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.044","0.0405","","","0.1138","0.1176","","","","","","1.061","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511878","5.8389","0.0004","17.2035","0.0012","6.6533","0.0005","90","","112.747","0.001","90","","616.34","0.08","300","","300","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0563","0.0463","","","0.1319","0.1422","","","","","","1.063","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511879","5.7726","0.0003","17.0351","0.0009","6.6086","0.0004","90","","112.553","0.001","90","","600.17","0.06","200","","200","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0447","0.0392","","","0.1088","0.1141","","","","","","1.073","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511880","5.7047","0.0002","16.8879","0.0007","6.5872","0.0003","90","","112.365","0.001","90","","586.88","0.04","90","","90","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 -","- C16 H16 -","- C32 H32 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0418","0.0393","","","0.1063","0.1086","","","","","","1.051","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511881","5.721","0.0003","17.3014","0.001","6.4223","0.0004","90","","111.047","0.001","90","","593.28","0.06","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.032","0.028","","","0.0703","0.0733","","","","","","1.051","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511882","5.6669","0.0003","17.2268","0.0008","6.3486","0.0003","90","","110.947","0.001","90","","578.81","0.05","200","","200","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0237","0.0224","","","0.0588","0.0596","","","","","","1.08","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511883","5.616","0.0002","17.1845","0.0007","6.2868","0.0003","90","","110.843","0.001","90","","567.02","0.04","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 -","- C14 H10 Cl2 -","- C28 H20 Cl4 -","2","0.5","","Harada, Jun; Ogawa, Keiichiro","What Molecules Are Likely or Unlikely To Undergo Pedal Motions in Crystals?","Crystal Growth & Design","2014","14","10","5182","","10.1021/cg500962y","","","0.71073","MoKα","","0.0215","0.0208","","","0.0532","0.0537","","","","","","1.107","","","","has coordinates,has disorder","179665","2020-10-21","18:00:00",""
"4511884","7.3135","0.0002","7.6312","0.0002","20.5697","0.0005","90","","99.462","0.001","90","","1132.39","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O9 P2 Pb -","- C4 H11 N O9 P2 Pb -","- C16 H44 N4 O36 P8 Pb4 -","4","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0313","0.0222","","","0.0414","0.0435","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511885","7.12","0.0004","7.2986","0.0005","10.5043","0.0006","78.615","0.005","80.272","0.005","88.585","0.005","527.41","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H11 Ca N O9 P2 -","- C4 H11 Ca N O9 P2 -","- C8 H22 Ca2 N2 O18 P4 -","2","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.06","0.0417","","","0.0963","0.1056","","","","","","1.057","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511886","9.3466","0.0002","12.7982","0.0003","13.2133","0.0003","67.255","0.001","74.391","0.001","86.595","0.001","1402.13","0.06","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 Ba3.5 N2 O22 P4 -","- C8 H23 Ba3.5 N2 O22 P4 -","- C16 H46 Ba7 N4 O44 P8 -","2","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0329","0.0242","","","0.0549","0.0588","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511887","7.3371","0.0002","7.518","0.0002","20.5697","0.0005","90","","100.074","0.001","90","","1117.14","0.05","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N O9 P2 Sr -","- C4 H11 N O9 P2 Sr -","- C16 H44 N4 O36 P8 Sr4 -","4","1","","Demadis, Konstantinos D.; Armakola, Eirini; Papathanasiou, Konstantinos E.; Mezei, Gellert; Kirillov, Alexander M.","Structural Systematics and Topological Analysis of Coordination Polymers with Divalent Metals and a Glycine-Derived Tripodal Phosphonocarboxylate","Crystal Growth & Design","2014","14","10","5234","","10.1021/cg501029b","","","0.71073","MoKα","","0.0406","0.027","","","0.0525","0.0559","","","","","","1.016","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511888","18.806","0.003","21.967","0.003","24.552","0.003","93.628","0.002","111.811","0.002","113.559","0.002","8360","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- Ce2 H57 K10 Na5 O152 Se4 W35 -","- Ce2 K9 Na4 O134 Se4 W35 -","- Ce4 K18 Na8 O268 Se8 W70 -","2","1","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0907","0.0698","","","0.176","0.1856","","","","","","0.972","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511889","19.4192","0.0013","19.9929","0.0013","26.9568","0.0017","70.225","0.001","70.385","0.001","63.681","0.001","8611.2","1","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C10 H93 Ce2 K3 N4 Na10 O155 Se4 W35 -","- C10 H35 Ce2 K2.1 N4 Na3.4 O141.5 Se4 W35 -","- C20 H70 Ce4 K4.2 N8 Na6.8 O283 Se8 W70 -","2","1","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0975","0.0518","","","0.111","0.1234","","","","","","0.934","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511890","28.706","0.005","13.68","0.0018","22.75","0.004","90","","114.522","0.004","90","","8128","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C8 H62 N4 Na4 O77 Se2 W18 -","- C8 H32 N4 Na2.01 O68 Se2 W18 -","- C32 H128 N16 Na8.04 O272 Se8 W72 -","4","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.0749","0.0557","","","0.1455","0.1538","","","","","","1.107","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511891","14.1071","0.0012","15.4752","0.0013","21.2067","0.0017","107.471","0.001","97.631","0.001","97.319","0.001","4307.9","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H104 K N10 Na5 O136 Se4 W36 -","- C20 H80 K0.5 N10 Na O131 Se4 W36 -","- C20 H80 K0.5 N10 Na O131 Se4 W36 -","1","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.072","0.0422","","","0.0942","0.102","","","","","","0.944","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511892","14.1124","0.0014","15.5421","0.0016","20.97","0.002","105.483","0.002","95.186","0.002","94.1","0.002","4392.5","0.8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H120 K N10 Na O160 Se6 W38 Zr4 -","- C20 H80 K N10 Na O158 Se6 W38 Zr4 -","- C20 H80 K N10 Na O158 Se6 W38 Zr4 -","1","0.5","","Chen, Wei-Chao; Yan, Li-Kai; Wu, Cai-Xia; Wang, Xin-Long; Shao, Kui-Zhan; Su, Zhong-Min; Wang, En-Bo","Assembly of Keggin-/Dawson-type Polyoxotungstate Clusters with Different Metal Units and SeO32‒Heteroanion Templates","Crystal Growth & Design","2014","14","10","5099","","10.1021/cg500719q","","","0.71073","MoKα","","0.1094","0.0571","","","0.1189","0.1355","","","","","","0.978","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511895","7.683","0.002","8.191","0.002","23.307","0.006","98.202","0.005","92.589","0.005","103.123","0.004","1409.2","0.6","170","2","170","2","","","","","","","","4","P -1","-P 1","2","theopylline 3-hydroxybenzoic acid complex","","","- C14 H14 N4 O5 -","- C14 H14 N4 O5 -","- C56 H56 N16 O20 -","4","2","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0674","0.0543","","","0.1303","0.1382","","","","","","1.091","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511896","15.327","0.007","6.792","0.003","14.041","0.006","90","","106.297","0.004","90","","1403","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,3-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.1305","0.0567","","","0.122","0.1628","","","","","","1.079","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511897","12.565","0.004","7.894","0.003","14.528","0.005","90","","98.84","0.006","90","","1423.9","0.9","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,4-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C56 H56 N16 O24 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0451","0.0429","","","0.1207","0.1234","","","","","","1.035","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511898","14.6593","0.0019","6.5583","0.0008","15.727","0.002","90","","94.043","0.001","90","","1508.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","theopylline 2,6-dihydroxybenzoic acid salt monohydrate","","","- C14 H16 N4 O7 -","- C14 H16 N4 O7 -","- C56 H64 N16 O28 -","4","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0809","0.0388","","","0.1129","0.1635","","","","","","0.997","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511899","8.0694","0.0012","8.5782","0.0013","11.5578","0.0017","103.147","0.002","104.97","0.002","105.358","0.002","706.7","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","theopylline 3,4-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0462","0.0351","","","0.1028","0.1202","","","","","","0.81","","","","has coordinates","179665","2020-10-21","18:00:00",""
"4511900","7.2253","0.0017","7.9998","0.0019","12.65","0.003","81.24","0.004","85.071","0.004","82.509","0.004","714.9","0.3","170","2","170","2","","","","","","","","4","P -1","-P 1","2","theopylline 3,5-dihydroxybenzoic acid complex","","","- C14 H14 N4 O6 -","- C14 H14 N4 O6 -","- C28 H28 N8 O12 -","2","1","","Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Synthon Hierarchies in Crystal Forms Composed of Theophylline and Hydroxybenzoic Acids: Cocrystal Screening via Solution-Mediated Phase Transformation","Crystal Growth & Design","2014","14","10","5318","","10.1021/cg501204k","","","0.71073","MoKα","","0.0717","0.0585","","","0.1541","0.1674","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511902","51.343","0.009","4.8679","0.0008","7.6195","0.0013","90","","92.83","0.003","90","","1902","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 N O3 -","- C18 H35 N O3 -","- C72 H140 N4 O12 -","4","1","","Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.","Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes","Crystal Growth & Design","2014","14","10","4944","","10.1021/cg500481u","","","0.71073","MoKα","","0.1295","0.0874","","","0.2142","0.244","","","","","","0.97","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511903","92.388","0.016","4.86","0.0008","7.6485","0.0013","90","","91.702","0.004","90","","3432.7","1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H31 N O3 -","- C16 H31 N O3 -","- C128 H248 N8 O24 -","8","1","","Reddy, S. Thirupathi; Krovi, Krishna Prasad; Swamy, Musti J.","Structure and Thermotropic Phase Behavior of a Homologous Series ofN-Acylglycines: Neuroactive and Antinociceptive Constituents of Biomembranes","Crystal Growth & Design","2014","14","10","4944","","10.1021/cg500481u","","","0.71073","MoKα","","0.0987","0.0805","","","0.2072","0.218","","","","","","1.115","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511904","10.9398","0.0017","11.0705","0.0017","11.7353","0.0018","106.846","0.007","100.623","0.007","102.977","0.007","1277.2","0.4","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 Cl F N O9 -","- C23 H29 Cl F N O9 -","- C46 H58 Cl2 F2 N2 O18 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1165","0.098","","","0.2288","0.238","","","","","","1.153","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511905","6.002","0.003","11.525","0.007","35.29","0.02","90","","90","","90","","2441","2","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl F N O4 -","- C28 H29 Cl F N O4 -","- C112 H116 Cl4 F4 N4 O16 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0548","0.0467","","","0.1271","0.1534","","","","","","1.11","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511906","36.09","0.02","8.178","0.004","11.344","0.006","90","","107.542","0.011","90","","3192","3","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H35 Cl F N O8 -","- C35 H35 Cl F N O8 -","- C140 H140 Cl4 F4 N4 O32 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0518","0.0446","","","0.1187","0.1422","","","","","","1.135","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511907","17.732","0.007","13.844","0.005","11.508","0.005","90","","116.485","0.003","90","","2528.5","1.7","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O5 -","- C28 H29 Cl F N O5 -","- C112 H116 Cl4 F4 N4 O20 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0695","0.064","","","0.1778","0.1898","","","","","","1.08","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511908","8.1733","0.0009","14.5646","0.0016","15.5899","0.0017","70.835","0.005","80.524","0.006","74.251","0.005","1681.3","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H35 Cl F N O9 -","- C38 H35 Cl F N O9 -","- C76 H70 Cl2 F2 N2 O18 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1146","0.0697","","","0.1569","0.1797","","","","","","1.034","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511909","18.369","0.002","13.121","0.0013","12.0966","0.0017","90","","119.324","0.004","90","","2541.9","0.5","150","","150","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0792","0.0569","","","0.1349","0.1687","","","","","","1.019","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511910","8.2696","0.0011","14.4385","0.0016","21.086","0.003","90","","101.095","0.004","90","","2470.6","0.6","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Cl F N O6 -","- C28 H29 Cl F N O6 -","- C112 H116 Cl4 F4 N4 O24 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0654","0.0601","","","0.171","0.1788","","","","","","1.111","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511911","9.5485","0.0012","10.3924","0.0013","13.2217","0.0016","107.554","0.008","98.463","0.007","104.392","0.007","1176.1","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 Cl F N O7 S -","- C22 H29 Cl F N O7 S -","- C44 H58 Cl2 F2 N2 O14 S2 -","2","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.0629","0.0528","","","0.1519","0.163","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511912","9.128","0.002","16.485","0.004","19.142","0.004","65.453","0.008","81.007","0.007","89.606","0.006","2582.4","1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H29 Cl F N O5 S -","- C27 H29 Cl F N O5 S -","- C108 H116 Cl4 F4 N4 O20 S4 -","4","2","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.2474","0.0957","","","0.1696","0.2259","","","","","","0.95","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511913","20.102","0.003","8.0056","0.0012","17.761","0.003","90","","105.577","0.007","90","","2753.3","0.8","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H33 Cl F N O6 S -","- C28 H33 Cl F N O6 S -","- C112 H132 Cl4 F4 N4 O24 S4 -","4","1","","Rajput, Lalit","Stable Crystalline Salts of Haloperidol: A Highly Water-Soluble Mesylate Salt","Crystal Growth & Design","2014","14","10","5196","","10.1021/cg500982u","","","0.71073","MoKα","","0.1267","0.0753","","","0.1862","0.2111","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511914","9.1622","0.0007","19.9765","0.0016","10.0933","0.0009","90","","93.357","0.002","90","","1844.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H52 N4 O10 Sn2 -","- C30 H52 N4 O10 Sn2 -","- C60 H104 N8 O20 Sn4 -","2","0.5","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71073","MoKα","","0.0525","0.0486","","","0.1189","0.1225","","","","","","1.061","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511915","12.2838","0.0017","19.749","0.003","18.497","0.003","90","","97.699","0.002","90","","4446.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 N2 O4 Sn -","- C19 H34 N2 O4 Sn -","- C152 H272 N16 O32 Sn8 -","8","2","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71073","MoKα","","0.1084","0.083","","","0.1706","0.207","","","","","","1.145","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511916","7.977","0.005","10.434","0.005","18.12","0.005","102.919","0.005","96.199","0.005","93.676","0.005","1455.3","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O11 Te -","- C28 H30 N4 O11 Te -","- C56 H60 N8 O22 Te2 -","2","1","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0896","0.063","","","0.1454","0.1562","","","","","","1.078","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511917","12.164","0.005","12.682","0.005","16.184","0.005","103.087","0.005","93.109","0.005","93.964","0.005","2419.7","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H54 N4 O16 Te2 -","- C45 H54 N4 O16 Te2 -","- C90 H108 N8 O32 Te4 -","2","1","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0958","0.0611","","","0.1378","0.1818","","","","","","1.081","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511918","9.583","0.005","9.934","0.005","10.942","0.005","78.546","0.005","84.329","0.005","85.907","0.005","1014.5","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H44 Cu2 N8 O24 -","- C28 H44 Cu2 N8 O24 -","- C28 H44 Cu2 N8 O24 -","1","0.5","","Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli","Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs","Crystal Growth & Design","2014","14","10","5171","","10.1021/cg500900n","","","0.71069","MoKα","","0.0358","0.0349","","","0.0968","0.0981","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511919","7.8208","0.0012","29.207","0.005","9.9899","0.0015","90","","100.114","0.002","90","","2246.5","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpy, acetonitrile","C-methylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C54 H51 N5 O8 -","- C54 H51 N5 O8 -","- C108 H102 N10 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0951","0.0495","","","0.1058","0.1228","","","","","","1.021","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511920","10.051","0.002","25.409","0.005","11.661","0.002","90","","91.889","0.002","90","","2976.4","1","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpe, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C64 H64 N8 O8 -","- C64 H52 N8 O8 -","- C128 H104 N16 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.117","0.0846","","","0.2357","0.2535","","","","","","1.138","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511921","14.917","0.003","43.998","0.008","18.223","0.003","90","","102.821","0.002","90","","11662","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC1, bpe, ethanol","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, ethanol","","- C128 H120 N8 O24 -","- C128 H126 N8 O24 -","- C512 H504 N32 O96 -","4","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1267","0.0706","","","0.179","0.2156","","","","","","1.022","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511922","10.129","0.0018","25.369","0.004","11.478","0.002","90","","91.57","0.002","90","","2948.3","0.9","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C66 H63 N9 O8 -","- C66 H58 N9 O8 -","- C132 H116 N18 O16 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1028","0.0644","","","0.1723","0.2004","","","","","","1.032","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511923","14.663","0.0005","44.452","0.0015","18.3387","0.0007","90","","102.492","0.002","90","","11670.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC1, bpa, ethanol","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol","","- C128 H96 N8 O24 -","- C128 H96 N8 O24 -","- C512 H384 N32 O96 -","4","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","1.54178","CuKα","","0.0709","0.0618","","","0.1706","0.1783","","","","","","1.057","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511924","9.1322","0.0007","24.8245","0.0019","24.9616","0.0019","90","","91.72","0.001","90","","5656.3","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RsC3, bpy, acetonitrile","C-propylresorcinol[4]arene, 4,4'-bipyridine, acetonitrile","","- C134 H142 N12 O16 -","- C134 H142 N12 O16 -","- C268 H284 N24 O32 -","2","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0828","0.0486","","","0.1049","0.1193","","","","","","1.033","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511925","13.9236","0.0011","16.3535","0.0013","23.4788","0.0019","94.21","0.001","102.18","0.001","95.903","0.001","5173.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpy, ethanol","C-propylresorcinol[4]arene, 4,4'-bipyridine, ethanol","","- C116 H117.7 N6 O19 -","- C116 H116.2 N6 O19 -","- C232 H232.4 N12 O38 -","2","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.098","0.0575","","","0.1483","0.1756","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511926","18.323","0.002","19.33","0.002","19.995","0.003","95.078","0.002","98.447","0.002","110.844","0.002","6470.3","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpe, acetonitrile","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C143.2 H142.8 N15.6 O16 -","- C143.6 H121 N16 O16 -","- C287.2 H242 N32 O32 -","2","1","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.1159","0.0782","","","0.219","0.2571","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511927","16.7317","0.0012","15.0613","0.0011","23.7764","0.0017","90","","102.962","0.001","90","","5839","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","RsC3, bpe, ethanol","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)ethylene, acetonitrile","","- C132 H168 N8 O22 -","- C132 H128 N8 O20.4 -","- C264 H256 N16 O40.8 -","2","0.25","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0979","0.0682","","","0.1928","0.2158","","","","","","1.045","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511928","18.9176","0.0014","13.1485","0.0009","27.231","0.0019","90","","104.453","0.001","90","","6559","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","RsC1, bpa, acetonitrile","C-methylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, acetonitrile","","- C70 H73 N7 O8 -","- C70 H64 N7 O8 -","- C280 H256 N28 O32 -","4","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","0.71073","MoKα","","0.0828","0.0657","","","0.1964","0.2112","","","","","","1.066","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511929","11.1659","0.0004","11.3572","0.0004","24.089","0.0009","77.464","0.001","81.008","0.001","84.342","0.001","2938.7","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","RsC3, bpa, ethanol","C-propylresorcinol[4]arene, trans-1,2-Bis(4-pyridyl)acetylene, ethanol","","- C136 H152 N9 O20 -","- C136 H146 N10 O20 -","- C136 H146 N10 O20 -","1","0.5","","Patil, Rahul S.; Mossine, Andrew V.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L.","Engineering Void Space Enclosed within Resorcin[4]arene-Based Supramolecular Frameworks","Crystal Growth & Design","2014","14","10","5212","","10.1021/cg501014c","","","1.54178","CuKα","","0.0733","0.0713","","","0.2067","0.2091","","","","","","1.044","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511930","24.0884","0.0016","10.7929","0.0008","16.199","0.0011","90","","90.677","0.002","90","","4211.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Ag2 N4 O11 S2 -","- C44 H34 Ag2 N4 O11 S2 -","- C176 H136 Ag8 N16 O44 S8 -","4","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.0626","0.0387","","","0.1139","0.1294","","","","","","0.88","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511931","7.549","0.0015","11.126","0.002","13.287","0.003","103.367","0.006","105.626","0.006","93.767","0.006","1035.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 Ag2 N4 O10 S2 -","- C46 H38 Ag2 N4 O10 S2 -","- C46 H38 Ag2 N4 O10 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.073","0.039","","","0.0585","0.0648","","","","","","1.361","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511932","7.4241","0.0007","14.8914","0.0014","14.959","0.002","114.498","0.004","99.31","0.004","100.904","0.003","1423.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Ag3 N7 O17 S2 -","- C56 H44 Ag3 N6 O14 S2 -","- C56 H44 Ag3 N6 O14 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.1225","0.0672","","","0.1249","0.1294","","","","","","2.25","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511933","8.496","0.003","11.529","0.004","12.34","0.004","102.401","0.01","101.842","0.009","106.29","0.009","1086.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H42 Ag2 N4 O12 S2 -","- C44 H34 Ag2 N4 O12 S2 -","- C44 H34 Ag2 N4 O12 S2 -","1","0.5","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.1417","0.0787","","","0.1593","0.1666","","","","","","1.862","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511934","11.0439","0.001","13.4634","0.0011","16.302","0.0014","66.454","0.002","73.33","0.002","67.759","0.002","2030.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H26 Ag2 N7 O9 S -","- C34 H28 Ag2 N4 O2 -","- C68 H56 Ag4 N8 O4 -","2","1","","Banerjee, Kaustuv; Roy, Sandipan; Biradha, Kumar","Design, Synthesis, and Photoluminescence Properties of One-, Two-, and Three-Dimensional Coordination Polymers: Anion-Assisted Argentophillic Interactions as Building Blocks","Crystal Growth & Design","2014","14","10","5164","","10.1021/cg500898c","","","0.71073","MoKα","","0.0767","0.0454","","","0.0696","0.0723","","","","","","1.591","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511935","9.8819","0.0004","24.9614","0.0009","25.3649","0.0009","90","","90","","90","","6256.7","0.4","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","2C60 . 2.46CS2/0.54I2","","","- C122.46 I1.09 S4.91 -","- C122.458 I1.0844 S4.9156 -","- C489.831 I4.3376 S19.6624 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0449","0.0412","","","0.1011","0.1037","","","","","","1.05","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511936","11.0613","0.0007","21.9269","0.0013","14.0907","0.0009","90","","90.065","0.003","90","","3417.6","0.4","90","2","90","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","C70 . I2","","","- C70 I2 -","- C70 I2 -","- C280 I8 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0192","0.0175","","","0.0446","0.0453","","","","","","1.084","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511937","28.316","0.005","28.318","0.005","34.196","0.006","90","","90","","90","","27420","8","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","C70 . 0.68 I2 . 0.32 CS2","","","- C70.32 I1.36 S0.64 -","- C70.3177 I1.3645 S0.6355 -","- C2250.17 I43.664 S20.336 -","32","","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0364","0.0288","","","0.063","0.0685","","","","","","1.072","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511938","11.0939","0.0012","21.932","0.002","14.0954","0.0016","90","","90.106","0.002","90","","3429.6","0.6","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","c70 . 0.85 I2 . 0.15 CS2","","","- C70.15 I1.7 S0.3 -","- C70.15 I1.7 S0.3 -","- C280.6 I6.8 S1.2 -","4","1","","Ghiassi, Kamran B.; Bowles, Faye L.; Chen, Susanne Y.; Olmstead, Marilyn M.; Balch, Alan L.","Incorporation of the Similarly Sized Molecules, Diiodine and Carbon Disulfide, into Cocrystals Formed with the Fullerenes, C60or C70","Crystal Growth & Design","2014","14","10","5131","","10.1021/cg500817w","","","0.71073","MoKα","","0.0198","0.0184","","","0.047","0.0476","","","","","","1.086","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511939","12.5","0.05","9.96","0.04","11.72","0.05","90","","107.413","0.004","90","","1392","10","298","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O19 P6 Yb2 -","- C18 H24 O19 P6 Yb2 -","- C36 H48 O38 P12 Yb4 -","2","0.5","","Paz, Filipe A. Almeida; Vilela, Sérgio M. F.; Tomé, João P. C.","Layered Metal‒Organic Frameworks Based on Octahedral Lanthanides and a Phosphonate Linker: Control of Crystal Size","Crystal Growth & Design","2014","14","10","4873","","10.1021/cg500875m","powder diffraction","","0.39981","Synchrotron","","","","","","","","","1.82","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511940","12.5512","0.0017","10.2649","0.0015","11.9","0.0015","90","","107.231","0.005","90","","1464.3","0.3","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 Eu2 O19 P6 -","- C18 H24 Eu2 O19 P6 -","- C36 H48 Eu4 O38 P12 -","2","0.5","","Paz, Filipe A. Almeida; Vilela, Sérgio M. F.; Tomé, João P. C.","Layered Metal‒Organic Frameworks Based on Octahedral Lanthanides and a Phosphonate Linker: Control of Crystal Size","Crystal Growth & Design","2014","14","10","4873","","10.1021/cg500875m","powder diffraction","","1.54175","CuKα","","","","","","","","","2.31","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511941","9.60049","0.00012","9.03411","0.00012","11.17851","0.00015","90","","90","","90","","969.53","0.02","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 In N O8 -","- C8 In N O8 -","- C32 In4 N4 O32 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.0355","1.144","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511942","13.663","0.0008","11.7211","0.0008","6.4221","0.0004","90","","99.7","0.005","90","","1013.77","0.11","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Al2 N2 O16 -","- C16 H12 Al2 N2 O16 -","- C32 H24 Al4 N4 O32 -","2","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","","","0.71073","MoKα","","0.0828","0.0562","","","0.1021","0.1103","","","","","","1.173","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511943","10.0568","0.0003","17.3408","0.0005","12.1952","0.0003","90","","111.985","0.002","90","","1972.1","0.1","298","2","298.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Ga2 N2 O16 -","- C16 H12 Ga2 N2 O16 -","- C64 H48 Ga8 N8 O64 -","4","1","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","","","0.71073","MoKα","","0.0543","0.0437","","","0.1023","0.1094","","","","","","1.117","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511944","37.133","0.0013","11.5278","0.0004","6.51553","0.00018","90","","109.266","0.003","90","","2632.85","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 Al3 N2 O21 -","- C16 Al3 N2 O21 -","- C64 Al12 N8 O84 -","4","0.5","","Wharmby, Michael T.; Snoyek, Malte; Rhauderwiek, Timo; Ritter, Knut; Stock, Norbert","Group 13 Metal Carboxylates: Using Molecular Clusters As Hybrid Building Units in a MIL-53 Type Framework","Crystal Growth & Design","2014","14","10","5310","","10.1021/cg501189n","powder diffraction","x-ray","0.827164","synchrotron","","","","","","","","","0.03","1.09523","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511945","8.2744","0.0009","17.2532","0.0012","11.0608","0.001","90","","102.849","0.01","90","","1539.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cl10 Mn9 O16 Sb8 -","- Cl10 Mn9 O16 Sb8 -","- Cl20 Mn18 O32 Sb16 -","2","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.1229","0.0631","","","0.0925","0.1039","","","","","","0.897","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511946","7.2406","0.0006","9.8413","0.0007","11.7694","0.001","90","","104.596","0.009","90","","811.59","0.12","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- Cl2 Mn4 O12 Sb6 -","- Cl2 Mn4 O12 Sb6 -","- Cl4 Mn8 O24 Sb12 -","2","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.1447","0.0521","","","0.0601","0.0738","","","","","","0.666","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511947","9.66","0.0004","9.9264","0.0003","9.8549","0.0003","72.656","0.002","65.874","0.003","63.865","0.003","766.18","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Cl8 Fe7 O18 Sb10 -","- Cl8 Fe7 O18 Sb10 -","- Cl8 Fe7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0399","0.034","","","0.0808","0.0833","","","","","","1.01","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511948","9.9229","0.0003","10.0059","0.0003","10.1097","0.0003","72.723","0.002","64.669","0.003","64.836","0.003","812.99","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br8 Fe7 O18 Sb10 -","- Br8 Fe7 O18 Sb10 -","- Br8 Fe7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0307","0.0239","","","0.0511","0.0545","","","","","","0.899","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511949","5.4698","0.0002","5.5479","0.0002","31.0882","0.0009","90","","90","","90","","943.4","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cl2 Mn O6 Sb4 -","- Cl2 Mn O6 Sb4 -","- Cl8 Mn4 O24 Sb16 -","4","1","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0413","0.0306","","","0.0429","0.0443","","","","","","0.872","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511950","6.3099","0.0001","12.3959","0.0003","14.5287","0.0003","90","","90","","90","","1136.39","0.04","293","2","293","2","","","","","","","","4","C m c a","-C 2ac 2","64","","","","- Br4 Fe3 O4 Sb2 -","- Br4 Fe3 O4 Sb2 -","- Br16 Fe12 O16 Sb8 -","4","","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0337","0.0237","","","0.048","0.0494","","","","","","0.865","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511951","9.9492","0.0003","10.1015","0.0003","10.1338","0.0004","74.149","0.003","66.166","0.004","65.097","0.003","838.46","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Br8 Mn7 O18 Sb10 -","- Br8 Mn7 O18 Sb10 -","- Br8 Mn7 O18 Sb10 -","1","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71073","MoKα","","0.0455","0.0349","","","0.0703","0.0751","","","","","","1.102","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511952","8.6904","0.0002","5.4808","0.00013","16.144","0.005","90","","107.57","0.003","90","","733.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cl2 Mn5 O12 Te4 -","- Cl2 Mn5 O12 Te4 -","- Cl4 Mn10 O24 Te8 -","2","0.5","","Zimmermann, Iwan; Johnsson, Mats","A Synthetic Route toward Layered Materials: Introducing Stereochemically Active Lone-Pairs into Transition Metal Oxohalides","Crystal Growth & Design","2014","14","10","5252","","10.1021/cg5010374","","","0.71069","MoKα","","0.0534","0.0334","","","0.0588","0.0625","","","","","","0.909","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511953","30.4597","0.0004","20.5182","0.0003","29.0708","0.0003","90","","103.115","0.001","90","","17694.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C138 H79 N89 O17 Zn15 -","- C138 H78 N89 O17 Zn15 -","- C552 H312 N356 O68 Zn60 -","4","0.5","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0879","0.0754","","","0.2473","0.2673","","","","","","1.008","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511954","14.2829","0.0003","18.2078","0.0004","23.5984","0.0005","110.89","0.002","97.618","0.002","99.347","0.002","5535.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H55 Cl N66 O6 Zn8 -","- C102 H55 Cl N66 O6 Zn8 -","- C204 H110 Cl2 N132 O12 Zn16 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0684","0.0587","","","0.161","0.166","","","","","","1.075","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511955","17.9776","0.0004","18.9548","0.0005","23.0341","0.0006","103.422","0.002","112.134","0.002","101.695","0.002","6695.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C102 H56 Cd8 N68 O8 -","- C102 H56 Cd8 N68 O8 -","- C204 H112 Cd16 N136 O16 -","2","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0577","0.0487","","","0.1543","0.1611","","","","","","0.987","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511956","17.7418","0.0002","14.7801","0.0002","29.7778","0.0004","90","","93.406","0.001","90","","7794.71","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H37 Ag7 N44 -","- C68 H37 Ag7 N44 -","- C272 H148 Ag28 N176 -","4","1","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0395","0.0342","","","0.0848","0.0874","","","","","","1.03","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511957","20.2466","0.0003","29.3207","0.0004","43.1643","0.0006","90","","90","","90","","25624.2","0.6","100","2","100","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C208 H130 Ag18 N132 O34 -","- C208 H120 Ag18 N132 O34 -","- C832 H480 Ag72 N528 O136 -","4","0.25","","Pan, Jie; Jiang, Fei-Long; Wu, Ming-Yan; Chen, Lian; Gai, Yan-Li; Bawaked, Salem M.; Mokhtar, Mohamed; AL-Thabaiti, Shaeel A.; Hong, Mao-Chun","A Series of d10Metal Clusters Constructed by 2,6-Bis[3-(pyrazin-2-yl)-1,2,4-triazolyl]pyridine: Crystal Structures and Unusual Luminescences","Crystal Growth & Design","2014","14","10","5011","","10.1021/cg500574x","","","1.54184","CuKα","","0.0877","0.0781","","","0.2205","0.2289","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511958","8.2728","0.0008","7.8636","0.0008","23.762","0.002","90","","96.295","0.002","90","","1536.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Acedapsone","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C64 H64 N8 O16 S4 -","4","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Pentamorphs of Acedapsone","Crystal Growth & Design","2014","14","10","5260","","10.1021/cg5010424","","","0.71073","MoKα","","0.0659","0.045","","","0.114","0.125","","","","","","1.03","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511959","24.519","0.003","8.0444","0.0007","16.2501","0.0015","90","","105.767","0.002","90","","3084.6","0.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Acedapsone","","","- C16 H16 N2 O4 S -","- C16 H16 N2 O4 S -","- C128 H128 N16 O32 S8 -","8","1","","Bolla, Geetha; Mittapalli, Sudhir; Nangia, Ashwini","Pentamorphs of Acedapsone","Crystal Growth & Design","2014","14","10","5260","","10.1021/cg5010424","","","0.71073","MoKα","","0.0446","0.0427","","","0.1113","0.1134","","","","","","1.09","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511960","9.19703","0.00006","9.19703","","9.19703","","90","","90","","90","","777.934","0.005","299","","299","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al12 Ca8 O31.9999 S2 -","2","0.0416667","","Cuesta, Ana; De la Torre, Ángeles G.; Losilla, Enrique R.; Santacruz, Isabel; Aranda, Miguel A. G.","Pseudocubic Crystal Structure and Phase Transition in Doped Ye’elimite","Crystal Growth & Design","2014","14","10","5158","","10.1021/cg501290q","powder diffraction","x-ray","0.6202","","","","","","","","","0.08441","","5.64","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511961","45.597","0.006","45.597","0.006","40.718","0.008","90","","90","","120","","73314","2","295","2","295","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C185 H75 In4 N O34 -","- C185 H75 In4 N O34 -","- C1665 H675 In36 N9 O306 -","9","0.5","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.3237","0.0925","","","0.2502","0.3075","","","","","","0.671","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511962","44.1252","0.0008","44.1252","0.0008","42.2961","0.0009","90","","90","","120","","71319","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72.67 H40 In2 O21.83 -","- C72.66 H40 In2 O21.8333 -","- C1307.88 H720 In36 O393 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2075","0.1153","","","0.3365","0.3758","","","","","","1.074","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511963","44.2269","0.0019","44.2269","0.0019","42.519","0.002","90","","90","","120","","72026","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C72 H36 In2 O16 -","- C72 H36 In2 O16 -","- C1296 H648 In36 O288 -","18","1","","Cho, Eun-Young; Gu, Ja-Min; Choi, In-Hwan; Kim, Wan-Seok; Hwang, Yong-Kyung; Huh, Seong; Kim, Sung-Jin; Kim, Youngmee","Encapsulation of Various Guests by an Anionic In-Metal‒Organic Framework Containing Tritopic BTB Ligand: Crystal Structure of Reichardt’s Dye Captured in an In-Metal‒Organic Framework","Crystal Growth & Design","2014","14","10","5026","","10.1021/cg5005837","","","0.71073","MoKα","","0.2312","0.0608","","","0.1598","0.2055","","","","","","0.869","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511964","5.4857","0.0003","11.4417","0.0004","9.9624","0.0005","90","","98.663","0.005","90","","618.16","0.05","290","","290","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Creatine anhydrate B","N-(aminoiminomethyl)-N-methyl glycine","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","7.341","2.0615","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511965","11.9504","0.0003","5.3453","0.0002","9.5314","0.0003","90","","90","","90","","608.85","0.03","290","","290","","","","","","","","","4","P n a 21","P 2c -2n","33","Creatine anhydrate form C","","","- C4 H9 N3 O2 -","- C4 H9 N3 O2 -","- C16 H36 N12 O8 -","4","1","","Braun, Doris E.; Orlova, Maria; Griesser, Ulrich J.","Creatine: Polymorphs Predicted and Found","Crystal Growth & Design","2014","14","10","4895","","10.1021/cg501159c","powder diffraction","","1.54056","CuKα","","","","","","","","","4.1","2.01","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511966","8.0457","0.0019","10.061","0.002","12.783","0.003","81.511","0.004","89.548","0.004","74.687","0.004","986.6","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ag2 N10 O5 -","- C16 H18 Ag2 N10 O5 -","- C32 H36 Ag4 N20 O10 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0458","0.035","","","0.0817","0.0875","","","","","","1.046","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511967","7.049","0.002","12.588","0.004","13.896","0.004","67.248","0.004","78.509","0.005","88.131","0.006","1112.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H34 Cl2 Cu2 N20 O14 -","- C32 H34 Cl2 Cu2 N20 O14 -","- C32 H34 Cl2 Cu2 N20 O14 -","1","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.1325","0.0666","","","0.1447","0.171","","","","","","0.976","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511968","12.8","0.005","8.333","0.005","14.046","0.005","90","0.005","113.164","0.005","90","0.005","1377.4","1.1","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H26 Cl2 Cu N10 O14 -","- C18 H26 Cl2 Cu N10 O14 -","- C36 H52 Cl4 Cu2 N20 O28 -","2","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71069","MoKα","","0.103","0.0765","","","0.1983","0.2198","","","","","","1.049","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511969","7.1207","0.001","13.2355","0.0019","14.725","0.002","98.846","0.003","101.901","0.003","94.406","0.002","1333.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Co N10 O6 -","- C16 H20 Co N10 O6 -","- C32 H40 Co2 N20 O12 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0756","0.0612","","","0.166","0.1773","","","","","","1.044","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511970","8.6628","0.0013","21.603","0.003","7.5795","0.0011","90","","100.174","0.003","90","","1396.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 Co N12 O16 -","- C16 H30 Co N12 O16 -","- C32 H60 Co2 N24 O32 -","2","0.5","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.1076","0.0954","","","0.2073","0.2148","","","","","","1.104","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511971","7.2795","0.0018","9.856","0.003","10.962","0.003","82.736","0.004","81.059","0.004","78.575","0.004","757.8","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H12 Cd Cl2 N6 O6 -","- C8 H12 Cd Cl2 N6 O6 -","- C16 H24 Cd2 Cl4 N12 O12 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0457","0.0432","","","0.1248","0.1287","","","","","","1.117","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511972","9.772","0.005","11.071","0.005","12.865","0.005","106.417","0.005","90.094","0.005","90.033","0.005","1335.1","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Cd2 N12 O14 -","- C16 H24 Cd2 N12 O14 -","- C32 H48 Cd4 N24 O28 -","2","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71069","MoKα","","0.0528","0.0468","","","0.1344","0.1408","","","","","","1.105","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511973","12.8331","0.0019","15.626","0.002","7.545","0.0011","90","","93.225","0.003","90","","1510.6","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C8 H8 Cd N5 O4 -","- C8 H8 Cd N5 O4 -","- C32 H32 Cd4 N20 O16 -","4","1","","Mohapatra, Balaram; Venkatesh, V.; Verma, Sandeep","Crystal Engineering with 2-Aminopurine Containing a Carboxylic Acid Pendant","Crystal Growth & Design","2014","14","10","5042","","10.1021/cg501142v","","","0.71073","MoKα","","0.0951","0.0834","","","0.2496","0.2597","","","","","","1.023","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511974","38.1861","0.0011","5.00418","0.0001","8.381","0.0002","90","","102.535","0.003","90","","1563.35","0.07","295","","295","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H6 Al2 O10 P3 -","- C9 H6 Al2 O10 P3 -","- C36 H24 Al8 O40 P12 -","4","0.5","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.42463","synchrotron","","10.74","","","","","","","","1.74","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511975","9.87808","0.0001","8.76433","0.0001","10.10872","0.0001","90","","105.536","0.001","90","","843.185","0.016","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Al O6 P2 -","- C6 H5 Al O6 P2 -","- C24 H20 Al4 O24 P8 -","4","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41241","synchrotron","","3.86","","","","","","","","1.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511976","8.5943","0.0003","4.9706","0.00014","19.5499","0.0006","98.87","0.004","105.933","0.0019","89.598","0.003","792.91","0.04","453","","453","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H6 Al2 O9 P3 -","- C9 H6 Al2 O9 P3 -","- C18 H12 Al4 O18 P6 -","2","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41397","synchrotron","","3.28","","","","","","","","1.52","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511977","10.05306","0.00004","9.22355","0.00004","10.09498","0.00004","90","","104.776","0.0003","90","","905.101","0.007","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 Al O7 P2 -","- C6 H6.9957 Al O7 P2 -","- C24 H27.9828 Al4 O28 P8 -","4","1","","Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham","Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates","Crystal Growth & Design","2014","14","10","4976","","10.1021/cg5005215","powder diffraction","x-ray","0.41398","synchrotron","","4.19","","","","","","","","1.5","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511981","28.09047","0.00002","6.946607","0.000007","12.030411","0.000012","90","","115.236","0.00006","90","","2123.49","0.004","298","","298","","","","","","","","","3","C 1 2 1","C 2y","5","hydrated rhabdophane","","","- O4.667 P Sm -","- O4.66667 P Sm -","- O112 P24 Sm24 -","24","6","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","0.6967","synchrotron","","","","","","","","","4.1155","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511982","12.14431","0.00009","7.01776","0.00007","6.34756","0.00015","90","","90.028","0.003","90","","540.976","0.014","573","","573","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- O4 P Sm -","- O4 P Sm -","- O24 P6 Sm6 -","6","1.5","","Mesbah, Adel; Clavier, Nicolas; Elkaim, Erik; Gausse, Clémence; Kacem, Ilyes Ben; Szenknect, Stephanie; Dacheux, Nicolas","Monoclinic Form of the Rhabdophane Compounds: REEPO4·0.667H2O","Crystal Growth & Design","2014","14","10","5090","","10.1021/cg500707b","powder diffraction","","1.54056","'CuKα","","","","","","","","","11.6193","","","","","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511986","9.6293","0.0004","10.586","0.0004","18.162","0.0007","79.251","0.003","74.914","0.003","80.515","0.003","1742.95","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N7 O13 -","- C32 H43 N7 O13 -","- C64 H86 N14 O26 -","2","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","0.71073","MoKα","","0.078","0.0457","","","0.1047","0.1154","","","","","","1.041","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511987","9.8071","0.0012","10.691","0.002","18.124","0.002","79.07","0.014","74.952","0.011","80.468","0.013","1788.2","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H43 N7 O13 -","- C32 H43 N7 O13 -","- C64 H86 N14 O26 -","2","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","1.54184","CuKα","","0.0989","0.0648","","","0.1794","0.2355","","","","","","1.139","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511988","16.55","0.0005","9.215","0.0003","25.111","0.0008","90","","121.388","0.002","90","","3269.21","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N7 O10 -","- C32 H37 N7 O10 -","- C128 H148 N28 O40 -","4","1","","Dąbrowa, Kajetan; Ceborska, Magdalena; Jurczak, Janusz","Trapping of Octameric Water Cluster by the Neutral Unclosed Cryptand Environment","Crystal Growth & Design","2014","14","10","4906","","10.1021/cg501314m","","","0.71073","MoKα","","0.1276","0.0784","","","0.1533","0.1713","","","","","","1.063","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511989","8.857","0.0015","31.574","0.005","16.097","0.003","90","","92.152","0.005","90","","4498.4","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H28 N6 Ni O4 -","- C41 H28 N6 Ni O4 -","- C164 H112 N24 Ni4 O16 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.0623","0.0466","","","0.1011","0.1073","","","","","","0.992","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511990","9.0061","0.0014","31.498","0.005","15.78","0.002","90","","90.584","0.004","90","","4476.1","1.1","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H34 N8 Ni O5 -","- C44 H34 N8 Ni O5 -","- C176 H136 N32 Ni4 O20 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.075","0.0651","","","0.1716","0.1792","","","","","","1.031","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511991","14.614","0.003","32.604","0.007","9.103","0.0018","90","","104.61","0.03","90","","4197.1","1.6","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 Co N7 O6 -","- C50 H39 Co N7 O6 -","- C200 H156 Co4 N28 O24 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.083","0.0604","","","0.1464","0.1627","","","","","","1.112","","","","has coordinates,has disorder","179666","2020-10-21","18:00:00",""
"4511992","14.867","0.003","32.323","0.006","9.1792","0.0018","90","","104.26","0.03","90","","4275.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H39 Co N7 O6 -","- C50 H39 Co N7 O6 -","- C200 H156 Co4 N28 O24 -","4","1","","Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He","Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties","Crystal Growth & Design","2014","14","10","5189","","10.1021/cg500975j","","","0.71073","MoKα","","0.3037","0.133","","","0.1857","0.2416","","","","","","1.07","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511993","7.704","0.001","12.545","0.002","15.068","0.003","90","","90","","90","","1456.3","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.1144","0.0633","","","0.1873","0.2628","","","","","","1.041","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511994","7.72","0.0005","12.5368","0.0009","15.0423","0.0006","90","","90","","90","","1455.86","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H5 Cl2 F5 O S -","- C13 H5 Cl2 F5 O S -","- C52 H20 Cl8 F20 O4 S4 -","4","1","","Capozzi, Maria Annunziata M.; Capitelli, Francesco; Cardellicchio, Cosimo","Structural Motifs in Enantiopure Halogenated Aryl Benzyl Sulfoxides: Effect of Fluorine Substitution","Crystal Growth & Design","2014","14","11","5442","","10.1021/cg5006117","","","0.71073","MoKα","","0.0691","0.0418","","","0.0894","0.1006","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511997","7.3551","0.0002","8.0853","0.0003","8.6347","0.0003","86.985","0.003","77.629","0.003","84.01","0.003","498.59","0.03","286.8","0.1","286.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Br6 N6 Re -","- C12 H12 Br6 N6 Re -","- C12 H12 Br6 N6 Re -","1","0.5","","Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.","Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2014","14","11","5985","","10.1021/cg5011693","","","0.71073","MoKα","","0.0252","0.0217","","","0.0455","0.0471","","","","","","1.027","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511998","8.1914","0.0003","8.8446","0.0003","9.7565","0.0003","69.846","0.003","71.273","0.003","82.038","0.003","628.13","0.04","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br6 N6 O2 Re -","- C16 H20 Br6 N6 O2 Re -","- C16 H20 Br6 N6 O2 Re -","1","0.5","","Martínez-Lillo, José; Kong, John; Julve, Miguel; Brechin, Euan K.","Self-Assembly of the Hexabromorhenate(IV) Anion with Protonated Benzotriazoles: X-ray Structure and Magnetic Properties","Crystal Growth & Design","2014","14","11","5985","","10.1021/cg5011693","","","0.71073","MoKα","","0.0255","0.0229","","","0.05","0.051","","","","","","1.064","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4511999","21.6989","0.0003","22.0322","0.0005","23.5087","0.0004","105.718","0.002","103.213","0.001","115.237","0.002","8989.6","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C292 H346 Co24 N16 Na2 O76 P6 S24 -","- C292 H340 Co24 N16 Na2 O76 P6 S24 -","- C292 H340 Co24 N16 Na2 O76 P6 S24 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun","Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene","Crystal Growth & Design","2014","14","11","5865","","10.1021/cg5010903","","","1.54184","CuKα","","0.0668","0.0508","","","0.1313","0.1383","","","","","","1.081","","","","has coordinates","179666","2020-10-21","18:00:00",""
"4512000","22.8996","0.0004","24.2213","0.0003","34.991","0.0005","78.65","0.001","75.733","0.001","70.783","0.001","17618.9","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C550 H608 Cl4 Co48 K2 N16 O144 P12 S48 -","- C550 H584 Cl4 Co48 K2 N16 O144 P12 S48 -","- C550 H584 Cl4 Co48 K2 N16 O144 P12 S48 -","1","0.5","","Su, Kongzhao; Jiang, Feilong; Qian, Jinjie; Pang, Jiandong; AL-Thabaiti, Shaeel A.; Bawaked, Salem M.; Mokhtar, Mohamed; Chen, Qihui; Hong, Maochun","Alkali-Metal-Templated Assembly of Two High-Nuclearity Cobalt Clusters Based on Thiacalix[4]arene","Crystal Growth & Design","2014","14","11","5865","","10.1021/cg5010903","","","1.54184","CuKα","","0.1397","0.0866","","","0.218","0.2456","","","","","","0.983","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512001","10.9319","0.0002","11.3535","0.0003","11.1954","0.0002","90","","105.205","0.0013","90","","1340.88","0.05","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H30 Br2 N4 O4 -","- C28 H30 Br2 N4 O4 -","- C56 H60 Br4 N8 O8 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0518","0.0443","","0.0536","0.0531","0.0531","","","","","","1.0883","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4512002","10.1201","0.0003","9.7143","0.0002","14.6298","0.0005","90","","105.342","0.0012","90","","1387","0.07","120","","120","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C29 H33 N5 O5 -","- C29 H33 N5 O5 -","- C58 H66 N10 O10 -","2","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.0782","0.0617","","1.0338","0.0646","0.0646","","","","","","0.7509","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512003","28.762","0.001","28.762","0.001","13.444","0.0005","90","","90","","90","","11121.6","0.7","120","","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C29 H33 Br N4 O5 -","- C29 H33 Br N4 O5 -","- C464 H528 Br16 N64 O80 -","16","1","","Ravat, Prince; Borozdina, Yulia; Ito, Yoshikazu; Enkelmann, Volker; Baumgarten, Martin","Crystal Engineering of Tolane Bridged Nitronyl Nitroxide Biradicals: Candidates for Quantum Magnets","Crystal Growth & Design","2014","14","11","5840","","10.1021/cg5010787","","","0.71073","MoKα","","0.075","0.0587","","0.1872","0.0666","0.0666","","","","","","0.984","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512004","13.704","0.003","17.106","0.004","19.923","0.005","77.007","0.004","84.696","0.005","64.123","0.004","4094.4","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H78 Fe O18 P3 -","- C90 H78 Fe O18 P3 -","- C180 H156 Fe2 O36 P6 -","2","1","","Atzori, Matteo; Marchiò, Luciano; Clérac, Rodolphe; Serpe, Angela; Deplano, Paola; Avarvari, Narcis; Mercuri, Maria Laura","Hydrogen-Bonded Supramolecular Architectures Based on Tris(Hydranilato)Metallate(III) (M = Fe, Cr) Metallotectons","Crystal Growth & Design","2014","14","11","5938","","10.1021/cg501143z","","","0.71073","MoKα","","0.1438","0.0606","","","0.1064","0.1241","","","","","","1.01","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512005","6.9435","0.0008","7.5192","0.0007","11.5084","0.0014","86.793","0.009","80.123","0.01","70.172","0.009","556.85","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C20 H24 N4 O6 S2 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide","Crystal Growth & Design","2014","14","11","5729","","10.1021/cg500980j","","","0.71073","MoKα","","0.087","0.0609","","","0.1511","0.1702","","","","","","1.021","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512006","8.773","0.003","9.582","0.002","13.599","0.003","90","","97.269","0.019","90","","1134","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O3 S -","- C10 H12 N2 O3 S -","- C40 H48 N8 O12 S4 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Chelazzi, Laura; Nanna, Saverio; Rubini, Katia; Curzi, Marco; Giaffreda, Stefano L.; Saxell, Heidi E.; Bratz, Matthias; Chiodo, Tiziana","Bentazon: Effect of Additives on the Crystallization of Pure and Mixed Polymorphic Forms of a Commercial Herbicide","Crystal Growth & Design","2014","14","11","5729","","10.1021/cg500980j","","","0.71073","MoKα","","0.258","0.1125","","","0.1199","0.1587","","","","","","1.066","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512007","12.366","0.002","13.439","0.003","26.969","0.005","90","","95.463","0.003","90","","4461.5","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H37.5 N5 O15 Zn3 -","- C36 H36.91 N5 O15 Zn3 -","- C144 H147.64 N20 O60 Zn12 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1098","0.0946","","","0.263","0.2772","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512008","32.407","0.006","9.575","0.0018","12.193","0.002","90","","90","","90","","3783.5","1.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C38 H38 N2 O12 Zn2 -","- C38 H38 N2 O12 Zn2 -","- C152 H152 N8 O48 Zn8 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0736","0.0476","","","0.0963","0.11","","","","","","1.085","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512009","26.656","0.015","24.838","0.014","10.191","0.006","90","","110.667","0.007","90","","6313","6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C75 H71 N19 O27 Zn6 -","- C74 H70 N19 O23 Zn6 -","- C148 H140 N38 O46 Zn12 -","2","0.25","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1162","0.0993","","","0.2622","0.272","","","","","","1.166","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512010","9.488","0.006","12.562","0.009","15.477","0.01","90","","106.099","0.01","90","","1772","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O6 Zn -","- C17 H23 N O6 Zn -","- C68 H92 N4 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0762","0.0494","","","0.1119","0.1265","","","","","","1.037","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512011","33.843","0.012","9.954","0.003","35.817","0.012","90","","106.562","0.005","90","","11565","7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H41 N2 O20 Zn4 -","- C48 H41 N2 O20 Zn4 -","- C384 H328 N16 O160 Zn32 -","8","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1481","0.1172","","","0.254","0.2697","","","","","","1.181","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512012","9.4299","0.0013","16.49","0.002","11.2803","0.0015","90","","97.731","0.002","90","","1738.1","0.4","100","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 N2 O7 Zn -","- C14 H18 N2 O7 Zn -","- C56 H72 N8 O28 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.037","0.0279","","","0.066","0.0698","","","","","","1.046","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512013","7.791","0.003","8.989","0.004","9.16","0.004","116.446","0.005","104.488","0.005","98.089","0.005","532.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 N O6 Zn -","- C10 H9 N O6 Zn -","- C20 H18 N2 O12 Zn2 -","2","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0344","0.0288","","","0.0699","0.0729","","","","","","1.046","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512014","23.31","0.02","18.952","0.018","26.57","0.02","90","","94.757","0.014","90","","11697","17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H134 N10 O39 Zn5 -","- C96 H134 N10 O39 Zn5 -","- C384 H536 N40 O156 Zn20 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1391","0.0795","","","0.1848","0.2231","","","","","","1.015","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512015","10.284","0.005","35","0.018","25.542","0.013","90","","97.98","0.009","90","","9105","8","100","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H71 N5 O35 Zn8 -","- C71 N5 O39 Zn8 -","- C284 N20 O156 Zn32 -","4","0.5","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0877","0.0661","","","0.1871","0.2073","","","","","","1.02","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512016","9.2987","0.0014","16.67","0.002","11.4189","0.0017","90","","108.481","0.003","90","","1678.8","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N2 O6 Zn -","- C17 H18 N2 O6 Zn -","- C68 H72 N8 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0819","0.0501","","","0.1146","0.1337","","","","","","1.026","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512017","8.333","0.003","9.78","0.004","10.67","0.004","67.335","0.005","68.389","0.005","68.702","0.005","720.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 N4 O7 Zn -","- C10 H16 N4 O7 Zn -","- C20 H32 N8 O14 Zn2 -","2","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0289","0.0244","","","0.0564","0.0585","","","","","","1.052","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512018","9.509","0.003","15.18","0.004","12.246","0.003","90","","93.835","0.004","90","","1763.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.25 H17.75 N1.25 O6.25 Zn -","- C14.25 H17.75 N1.25 O6.25 Zn -","- C57 H71 N5 O25 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.0573","0.0407","","","0.1011","0.1098","","","","","","1.048","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512019","9.46","0.016","15.98","0.03","11.574","0.02","90","","93.89","0.02","90","","1746","5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O6 Zn -","- C15 H19 N O6 Zn -","- C60 H76 N4 O24 Zn4 -","4","1","","Ordonez, Carlos; Fonari, Marina; Lindline, Jennifer; Wei, Qiang; Timofeeva, Tatiana","How Structure-Directing Cations Tune the Fluorescence of Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5452","","10.1021/cg5006133","","","0.71073","MoKα","","0.1314","0.0761","","","0.1737","0.2016","","","","","","1.016","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512020","7.3931","0.0008","7.5175","0.001","15.0471","0.0016","82.133","0.01","77.444","0.009","73.205","0.01","779","0.16","298","2","298","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Ferulic acid","Isonicotinohydrazide-(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid","","- C16 H17 N3 O5 -","- C16 H17 N3 O5 -","- C32 H34 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0501","0.0376","","","0.0923","0.1009","","","","","","1.02","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512021","7.3139","0.0005","7.4461","0.0006","14.2942","0.0009","101.678","0.006","91.124","0.005","109.433","0.007","715.72","0.1","293","2","298","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Vanillic acid","Isonicotinohydrazide-4-Hydroxy-3-methoxybenzoic acid","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C28 H30 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0499","0.04","","","0.1077","0.1173","","","","","","1.042","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512022","7.247","0.0012","20.694","0.004","9.6836","0.0016","90","","100.974","0.003","90","","1425.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoniazid-Caffeic acid","Isonicotinohydrazide-3-(3,4-Dihydroxyphenyl)-2-propenoic acid","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C60 H60 N12 O20 -","4","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0736","0.0507","","","0.1069","0.1172","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512023","25.379","0.003","4.9943","0.0006","22.281","0.003","90","","91.741","0.012","90","","2822.8","0.6","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Isoniazid-Vanillic acid","Isonicotinohydrazide-4-Hydroxy-3-methoxybenzoic acid","","- C14 H15 N3 O5 -","- C14 H15 N3 O5 -","- C112 H120 N24 O40 -","8","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.1938","0.0624","","","0.0687","0.1108","","","","","","0.896","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512024","5.0623","0.0005","16.119","0.002","14.6266","0.0015","90","","96.618","0.01","90","","1185.6","0.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoniazid-Resorcinol","Isonicotinohydrazide-Benzene-1,3-diol","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C48 H52 N12 O12 -","4","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.099","0.0535","","","0.0957","0.1184","","","","","","1.015","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512025","7.4051","0.0016","9.733","0.002","10.384","0.002","74.183","0.003","84.064","0.004","78.944","0.003","705.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Isoniazid-Caffeic acid","Isonicotinohydrazide-3-(3,4-Dihydroxyphenyl)-2-propenoic acid","","- C15 H15 N3 O5 -","- C15 H15 N3 O5 -","- C30 H30 N6 O10 -","2","1","","Swapna, Battini; Maddileti, D.; Nangia, Ashwini","Cocrystals of the Tuberculosis Drug Isoniazid: Polymorphism, Isostructurality, and Stability","Crystal Growth & Design","2014","14","11","5991","","10.1021/cg501182t","","","0.71073","MoKα","","0.0543","0.0446","","","0.1168","0.1236","","","","","","1.072","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512027","6.3856","0.0005","6.6445","0.0005","10.5589","0.0008","90","","91.304","0.007","90","","447.89","0.06","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H8 N2 O4 S -","- C6 H8 N2 O4 S -","- C12 H16 N4 O8 S2 -","2","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0694","0.0645","","","0.2109","0.2173","","","","","","1.645","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512028","4.95459","0.00019","7.5581","0.0003","17.8016","0.0006","92.253","0.003","90.649","0.003","109.029","0.004","629.5","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H32 N4 O10 S2 -","- C18 H32 N4 O10 S2 -","- C18 H32 N4 O10 S2 -","1","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0543","0.0526","","","0.1553","0.1583","","","","","","0.991","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512029","9.029","0.0003","5.75526","0.00018","18.2666","0.0005","90","","98.566","0.003","90","","938.62","0.05","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 N4 O4 S2 -","- C14 H22 N4 O4 S2 -","- C28 H44 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0537","0.0494","","","0.1547","0.1621","","","","","","1.201","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512030","8.4023","0.0006","7.5547","0.0005","17.3163","0.0012","90","","103.335","0.002","90","","1069.55","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C32 H52 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0582","0.0478","","","0.1174","0.1331","","","","","","1.136","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512031","5.28","0.0002","22.5958","0.0011","8.6882","0.0004","90","","97.883","0.004","90","","1026.76","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O4 S2 -","- C16 H26 N4 O4 S2 -","- C32 H52 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0634","0.0546","","","0.1828","0.2056","","","","","","0.84","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512032","8.702","0.006","7.721","0.005","17.891","0.013","90","","95.326","0.014","90","","1196.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N4 O4 S2 -","- C18 H30 N4 O4 S2 -","- C36 H60 N8 O8 S4 -","2","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0687","0.0424","","","0.1167","0.1385","","","","","","0.902","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512033","4.16465","0.00011","22.558","0.0006","10.8698","0.0003","90","","93.487","0.002","90","","1019.29","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O4 S -","- C8 H10 N2 O4 S -","- C32 H40 N8 O16 S4 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0488","0.0473","","","0.1684","0.1706","","","","","","1.493","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512034","20.921","0.006","9.511","0.003","10.886","0.003","90","","103.274","0.004","90","","2108.2","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 N4 O8 S2 -","- C16 H24 N4 O8 S2 -","- C64 H96 N16 O32 S8 -","4","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.0607","0.054","","","0.1581","0.1652","","","","","","1.284","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512035","12.8","0.017","4.945","0.007","27.64","0.04","90","","94.73","0.019","90","","1744","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 N2 O4 S -","- C14 H24 N2 O4 S -","- C56 H96 N8 O16 S4 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","0.71073","MoKα","","0.1997","0.0756","","","0.1981","0.2812","","","","","","0.986","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512036","11.3596","0.0003","14.6265","0.0007","13.1548","0.0004","90","","91.993","0.003","90","","2184.36","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 N4 O4 S2 -","- C18 H30 N4 O4 S2 -","- C72 H120 N16 O16 S8 -","4","1","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0838","0.0722","","","0.2265","0.2412","","","","","","1.622","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512037","7.8169","0.0004","7.8365","0.0006","11.4009","0.0008","73.31","0.006","82.018","0.005","65.685","0.006","609.46","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 N4 O4 S2 -","- C20 H34 N4 O4 S2 -","- C20 H34 N4 O4 S2 -","1","0.5","","Yadav, Priyanka; Dutta, Pradip Kr.; Ballabh, Amar","Combinatorial Library Approach to Realize 2-Aminothiazole-Based Two-Component Hydrogelator: A Structure‒Property Correlation","Crystal Growth & Design","2014","14","11","5966","","10.1021/cg501156p","","","1.54184","CuKα","","0.0488","0.0459","","","0.1558","0.1692","","","","","","0.761","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512038","16.774","0.005","16.774","0.005","13.913","0.005","90","0.005","90","0.005","120","0.005","3390.2","1.9","100","2","100","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C63 H39 B F4 N12 Ni2 O6 -","- C63 H39 B0.99 F3.96 N12 Ni2 O6 -","- C126 H78 B1.98 F7.92 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1131","0.1014","","","0.2991","0.3167","","","","","","1.357","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512039","16.802","0.005","16.802","0.005","13.96","0.005","90","0.005","90","0.005","120","0.005","3413","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O10 -","- C63 H39 Cl0.99 N12 Ni2 O9.96 -","- C126 H78 Cl1.98 N24 Ni4 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71069","MoKα","","0.0616","0.0534","","","0.1449","0.1524","","","","","","1.095","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512040","16.87","0.005","16.87","0.005","13.886","0.005","90","0.005","90","0.005","120","0.005","3422.5","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 N13 Ni2 O9 -","- C63 H39 N13 Ni2 O9 -","- C126 H78 N26 Ni4 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0791","0.0701","","","0.2062","0.2148","","","","","","1.092","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512041","16.946","0.005","16.946","0.005","13.838","0.005","90","0.005","90","0.005","120","0.005","3441.4","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl N12 Ni2 O6 -","- C63 H39 Cl N12 Ni2 O6 -","- C126 H78 Cl2 N24 Ni4 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.05","0.0408","","","0.1029","0.1086","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512042","16.901","0.005","16.901","0.005","14.082","0.005","90","0.005","90","0.005","120","0.005","3483.5","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O10 -","- C63 H39 Cl0.99 Co2 N12 O9.96 -","- C126 H78 Cl1.98 Co4 N24 O19.92 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.132","0.0874","","","0.1814","0.2035","","","","","","1.112","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512043","17.03","0.005","17.03","0.005","13.908","0.005","90","0.005","90","0.005","120","0.005","3493.2","1.9","100","2","100","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Co2 N13 O9 -","- C63 H39 Co2 N13 O9 -","- C126 H78 Co4 N26 O18 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.096","0.0752","","","0.2278","0.2448","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512044","17.088","0.005","17.088","0.005","13.892","0.005","90","0.005","90","0.005","120","0.005","3513","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0669","0.0547","","","0.1348","0.1413","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512045","17.033","0.005","17.033","0.005","13.928","0.005","90","0.005","90","0.005","120","0.005","3499.5","1.9","100","2","100","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C63 H39 Cl Co2 N12 O6 -","- C63 H39 Cl Co2 N12 O6 -","- C126 H78 Cl2 Co4 N24 O12 -","2","0.333333","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.083","0.0586","","","0.1396","0.1528","","","","","","1.024","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512046","16.975","0.005","16.975","0.005","13.917","0.005","90","0.005","90","0.005","120","0.005","3472.9","1.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C72 H57 Cl Co2 N12 O16 -","- C72 H57 Cl Co2 N12 O16 -","- C144 H114 Cl2 Co4 N24 O32 -","2","0.166667","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.0835","0.074","","","0.2227","0.2298","","","","","","1.166","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512047","17.872","0.002","28.462","0.002","14.1464","0.0014","90","","91.662","0.003","90","","7192.9","1.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C252 H156 Cl4 Mn8 N48 O24 -","4","0.5","","Agarwal, Rashmi A.; Bharadwaj, Parimal K.","Guest Exchange Reactions in Isostructural 3D Porous Coordination Polymers of Ni(II), Co(II), and Mn(II)","Crystal Growth & Design","2014","14","11","6115","","10.1021/cg501279y","","","0.71073","MoKα","","0.1225","0.0768","","","0.2065","0.2438","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512048","13.1547","0.0009","13.6652","0.0009","15.592","0.001","105.471","0.0019","100.898","0.002","103.68","0.0018","2527.7","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H31 N19 -","- C61 H31 N19 -","- C122 H62 N38 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0534","","","","0.1783","","","","","","0.964","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512049","8.0675","0.0009","8.0934","0.0009","15.5631","0.0018","83.1512","0.0014","76.1582","0.0014","76.0042","0.0014","955.33","0.19","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N14 -","- C48 H26 N14 -","- C48 H26 N14 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71073","MoKα","","0.0509","0.0433","","","0.1165","0.1239","","","","","","1.03","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512050","7.7599","0.0004","25.3409","0.0012","13.0885","0.0006","90","","92.7802","0.0013","90","","2570.7","0.2","293","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C122 H64 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0365","","","","0.1053","","","","","","0.951","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512051","7.792","0.003","12.715","0.004","13.1","0.004","86.007","0.014","87.137","0.012","82.964","0.018","1283.9","0.8","273","","273","","","","","","","","","3","P 1","P 1","1","","","","- C61 H32 N18 -","- C61 H32 N18 -","- C61 H32 N18 -","1","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0568","","","","0.1696","","","","","","1.022","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512052","7.7633","0.0017","13.078","0.004","13.081","0.004","76.175","0.013","88.07","0.02","87.743","0.013","1288.2","0.6","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C62 H34 N18 -","- C62 H34 N18 -","- C62 H34 N18 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.048","","","","0.1226","","","","","","1.017","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512053","7.7658","0.0017","13.274","0.004","25.224","0.005","93.634","0.013","95.231","0.01","90.757","0.01","2583.7","1.1","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C63 H36 N18 -","- C63 H36 N18 -","- C126 H72 N36 -","2","1","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0707","","","","0.225","","","","","","1.066","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512054","7.8494","0.0017","9.803","0.003","14.557","0.004","76.285","0.01","82.75","0.007","81.523","0.011","1071.4","0.5","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C52 H34 N14 -","- C52 H34 N14 -","- C52 H34 N14 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0445","","","","0.1314","","","","","","1.034","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512055","7.6612","0.0015","13.068","0.004","14.039","0.004","76.243","0.011","76.68","0.016","80.966","0.012","1320.7","0.6","153","","153","","","","","","","","","3","P -1","-P 1","2","","","","- C64 H38 N18 -","- C64 H38 N18 -","- C64 H38 N18 -","1","0.5","","Kubota, Hiroyuki; Takahashi, Yukihiro; Harada, Jun; Inabe, Tamotsu","Structural and Physical Properties of a Series of 7,7,8,8-Tetracyanoquinodimethane Salts with Dications Bearing Two Terminal Pyridinium Rings","Crystal Growth & Design","2014","14","11","5575","","10.1021/cg500820v","","","0.71075","MoKα","","","0.0499","","","","0.1475","","","","","","1.05","","","","has coordinates","275191","2022-05-07","02:30:57",""
"4512056","5.8981","0.0001","5.8981","0.0001","23.2029","0.0007","90","","90","","120","","699.03","0.03","293","2","293","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Ba2 Fe22.46 O38 Ti1.54 -","- Ba2 Fe22.74 O38 Ti1.26 -","- Ba2 Fe22.74 O38 Ti1.26 -","1","0.0416667","","Vinnik, Denis A.; Zherebtsov, Dmitry A.; Mashkovtseva, Lubov S.; Nemrava, Sandra; Perov, Nikolai S.; Semisalova, Anna S.; Krivtsov, Igor V.; Isaenko, Ludmila I.; Mikhailov, Gennady G.; Niewa, Rainer","Ti-Substituted BaFe12O19Single Crystal Growth and Characterization","Crystal Growth & Design","2014","14","11","5834","","10.1021/cg501075c","","","0.71073","MoKα","","0.0273","0.025","","","0.059","0.0602","","","","","","3.324","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512059","33.2711","0.0008","10.8322","0.0003","33.0273","0.0011","90","","118.742","0.001","90","","10436.5","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C89 H106 Cl2 Hg4 I8 O16 S4 -","- C89 H106 Cl2 Hg4 I8 O16 S4 -","- C356 H424 Cl8 Hg16 I32 O64 S16 -","4","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0803","0.0603","","","0.1569","0.1754","","","","","","1.024","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512060","30.8857","0.0012","16.9408","0.0007","10.3607","0.0004","90","","90","","90","","5421","0.4","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C49 H54 Cl2 Hg2 N4 O8 S6 -","- C196 H216 Cl8 Hg8 N16 O32 S24 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0497","0.0408","","","0.0902","0.0947","","","","","","1.009","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512061","29.8008","0.0007","20.536","0.0005","17.0526","0.0004","90","","107.387","0.001","90","","9959.2","0.4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cd2 I4 O8 S2 -","- C44 H52 Cd2 I4 O8 S2 -","- C352 H416 Cd16 I32 O64 S16 -","8","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0762","0.0413","","","0.0803","0.0929","","","","","","1.003","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512062","30.164","0.0007","20.3123","0.0005","17.0779","0.0004","90","","107.648","0.001","90","","9971.2","0.4","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C88 H104 Cd3 Hg I8 O16 S4 -","- C88 H104 Cd3 Hg I8 O16 S4 -","- C352 H416 Cd12 Hg4 I32 O64 S16 -","4","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0873","0.0737","","","0.2263","0.2412","","","","","","1.041","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512063","27.7063","0.0005","26.8081","0.0004","30.0316","0.0005","90","","95.639","0.001","90","","22198.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C380 H412 Cu12 K16 N28 O64 S44 -","- C380 H412 Cu12 K16 N28 O64 S44 -","- C760 H824 Cu24 K32 N56 O128 S88 -","2","0.5","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.1278","0.0688","","","0.1689","0.189","","","","","","1.033","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512064","15.747","0.0003","30.7069","0.0006","13.051","0.0002","90","","99.258","0.001","90","","6228.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H52 Hg3 K2 N8 O8 S10 -","- C52 H52 Hg3 K2 N8 O8 S10 -","- C208 H208 Hg12 K8 N32 O32 S40 -","4","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.0547","0.0362","","","0.0838","0.0942","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512065","62.113","0.006","14.037","0.0012","14.5232","0.0013","90","","92.444","0.008","90","","12651","2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H52 Cd3.5 I9 K2 O8 S2 -","- C44 H52 Cd3.5 I9 K2 O8 S2 -","- C352 H416 Cd28 I72 K16 O64 S16 -","8","1","","Park, In-Hyeok; Kim, Ja-Yeon; Kim, Kihwan; Lee, Shim Sung","Homonuclear and Heteronuclear Complexes of Calix[4]-bis-monothiacrown-5 with Oligomer and Polymer Structures","Crystal Growth & Design","2014","14","11","6012","","10.1021/cg501194n","","","0.71073","MoKα","","0.1288","0.1131","","","0.327","0.3434","","","","","","1.052","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4512066","22.0389","0.0009","13.5835","0.0005","15.0343","0.0005","90","","115.944","0.004","90","","4047.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H42 Fe N6 O3 S2 -","- C34 H24 Fe N6 S2 -","- C136 H96 Fe4 N24 S8 -","4","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.1162","0.1072","","","0.3301","0.3382","","","","","","2.675","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512067","11.4071","0.0007","15.8882","0.0012","13.1892","0.0007","90","","99.639","0.006","90","","2356.6","0.3","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C34 H29 Fe N6 O2.5 S2 -","- C34 H24 Fe N6 S2 -","- C68 H48 Fe2 N12 S4 -","2","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.0909","0.0683","","","0.2051","0.2247","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4512068","7.7312","0.0004","9.0974","0.0004","11.4447","0.0006","99.14","0.004","104.351","0.005","104.366","0.005","734.33","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 Fe N6 S2 -","- C34 H24 Fe N6 S2 -","- C34 H24 Fe N6 S2 -","1","0.5","","Wu, Xue-Ru; Yang, Xü; Wei, Rong-Jia; Li, Jia; Zheng, Lan-Sun; Tao, Jun","Solvent-Mediated Isomerization of FeIIComplexes from a 3D 65·8 Framework to a 2D 44Rhombus-Grid Network","Crystal Growth & Design","2014","14","10","4891","","10.1021/cg5011506","","","0.71073","MoKα","","0.0475","0.0398","","","0.1261","0.1365","","","","","","0.998","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512069","12.2567","0.0004","9.1981","0.0004","11.9933","0.0004","90","","98.048","0.003","90","","1338.79","0.09","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 F6 N8 O10 S4 Zn -","- C12 H12 F6 N8 O10 S4 Zn -","- C24 H24 F12 N16 O20 S8 Zn2 -","2","0.5","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0531","0.0476","","","0.1302","0.1356","","","","","","1.041","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512070","12.2295","0.0003","18.1053","0.0006","11.9682","0.0003","90","","97.479","0.002","90","","2627.44","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F6 N8 O9 S4 Zn -","- C13 H14 F6 N8 O9 S4 Zn -","- C52 H56 F24 N32 O36 S16 Zn4 -","4","1","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0793","0.0583","","","0.162","0.1842","","","","","","1.024","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512071","12.1058","0.0005","9.1233","0.0007","11.96","0.0005","90","","96.781","0.004","90","","1311.68","0.13","300","2","300","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C12 H10 F6 N8 O7 S4 Zn -","- C12 H10 F6 N8 O7 S4 Zn -","- C24 H20 F12 N16 O14 S8 Zn2 -","2","0.5","","Yao, Jia; Chen, Jia-Mei; Xu, Yi-Bo; Lu, Tong-Bu","Enhancing the Solubility of 6-Mercaptopurine by Formation of Ionic Cocrystal with Zinc Trifluoromethanesulfonate: Single-Crystal-to-Single-Crystal Transformation","Crystal Growth & Design","2014","14","10","5019","","10.1021/cg5005819","","","1.54178","CuKα","","0.0928","0.0779","","","0.2198","0.2439","","","","","","1.042","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512072","20.7465","0.0002","20.7465","0.0002","20.7465","0.0002","90","","90","","90","","8929.65","0.15","100","2","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-66","Zr(IV) terephthalate metal-organic framework","","- C34.94 H17.47 O61.74 Zr6 -","- C34.896 H17.448 O61.68 Zr6 -","- C139.584 H69.792 O246.72 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0244","0.0233","","","0.071","0.0714","","","","","","1.113","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512073","26.8809","0.0003","26.8809","0.0003","26.8809","0.0003","90","","90","","90","","19423.7","0.4","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-67","Zr(IV) biphenyl dicarboxylate metal-organic framework","","- C84 H48 O32 Zr6 -","- C84 H48 O32 Zr6 -","- C336 H192 O128 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0232","0.0206","","","0.0546","0.0553","","","","","","1.047","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512074","20.7465","0.0002","20.7465","0.0002","20.7465","0.0002","90","","90","","90","","8929.65","0.15","100","","100","","","","","","","","","4","F m -3 m","-F 4 2 3","225","UiO-66","Zr(IV) terephthalate metal-organic framework","","- C34.32 H17.14 O32.02 Zr6 -","- C34.272 H17.136 O32 Zr6 -","- C137.088 H68.544 O128 Zr24 -","4","0.0208333","","Øien, Sigurd; Wragg, David; Reinsch, Helge; Svelle, Stian; Bordiga, Silvia; Lamberti, Carlo; Lillerud, Karl Petter","Detailed Structure Analysis of Atomic Positions and Defects in Zirconium Metal‒Organic Frameworks","Crystal Growth & Design","2014","14","11","5370","","10.1021/cg501386j","","x-ray","0.76","synchrotron","","0.0207","0.0198","","","0.0601","0.0603","","","","","","1.155","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512075","20.913","0.019","13.424","0.011","15.628","0.011","90","","123.171","0.011","90","","3672","5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 S2 -","- C15 H16 Cu2 I2 S2 -","- C120 H128 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0561","0.0526","","","0.1064","0.1081","","","","","","1.056","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512076","20.375","0.003","14.222","0.0019","15.564","0.002","90","","121.296","0.002","90","","3853.8","0.9","130","2","130","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Cu2 I2 O2 S2 -","- C15 H16 Cu2 I2 O2 S2 -","- C120 H128 Cu16 I16 O16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0781","0.0762","","","0.1916","0.1922","","","","","","1.498","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512077","15.46176","0.00017","11.47353","0.00013","40.5252","0.0005","90","","90","","90","","7189.21","0.14","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C30 H32 Cu4 I4 S4 -","- C30 H32 Cu4 I4 S4 -","- C240 H256 Cu32 I32 S32 -","8","2","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0317","0.0263","","","0.063","0.0641","","","","","","1.033","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512078","19.986","0.002","18.1136","0.0012","15.6749","0.0015","90","","106.651","0.011","90","","5436.7","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cu2 I2 S2 -","- C23 H32 Cu2 I2 S2 -","- C184 H256 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.057","0.0335","","","0.0462","0.0473","","","","","","1.011","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512079","12.8375","0.0006","6.4922","0.0003","16.7746","0.0008","90","","93.041","0.001","90","","1396.09","0.11","130","2","130","2","","","","","","","synthesis as described","5","P 1 n 1","P -2yac","7","","","","- C26 H24 Br2 Cu2 S4 -","- C26 H24 Br2 Cu2 S4 -","- C52 H48 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","","0.0802","0.0451","","","0.0742","0.0841","","","","","","0.919","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512080","37.0978","0.001","7.8345","0.0002","24.6467","0.0005","90","","124.728","0.002","90","","5887.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Br Cu S4 -","- C30 H32 Br Cu S4 -","- C240 H256 Br8 Cu8 S32 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0294","0.0229","","","0.0571","0.0602","","","","","","1.035","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512081","6.576","0.003","22.668","0.011","10.996","0.005","90","","95.183","0.01","90","","1632.4","1.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br Cu O2 S2 -","- C15 H16 Br Cu O2 S2 -","- C60 H64 Br4 Cu4 O8 S8 -","4","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0823","0.0399","","","0.063","0.0729","","","","","","1.001","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512082","17.6959","0.0012","13.8363","0.001","13.0155","0.001","90","","101.879","0.003","90","","3118.5","0.4","115","","115","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H16 Br Cu S2 -","- C15 H16 Br Cu S2 -","- C120 H128 Br8 Cu8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0287","","","0.0591","0.0642","","","","","","1.049","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512083","13.6576","0.0004","16.2552","0.0005","16.3334","0.0005","90","","90","","90","","3626.13","0.19","115","2","115","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H19 Br Cu N S2 -","- C17 H19 Br Cu N S2 -","- C136 H152 Br8 Cu8 N8 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0278","0.02","","","0.046","0.0483","","","","","","1.036","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512084","20.8678","0.0005","11.6643","0.0004","15.5812","0.0005","90","","119.489","0.001","90","","3301.26","0.18","115","2","115","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0296","0.0268","","","0.061","0.0625","","","","","","1.11","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512085","20.9419","0.0004","11.6698","0.0003","15.5977","0.0004","90","","119.536","0.001","90","","3316.52","0.14","155","2","155","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0293","0.026","","","0.0574","0.059","","","","","","1.093","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512086","21.023","0.0005","11.6821","0.0003","15.6172","0.0004","90","","119.628","0.001","90","","3334","0.15","195","2","195","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H12 Cu2 I2 S2 -","- C13 H12 Cu2 I2 S2 -","- C104 H96 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.0329","0.029","","","0.063","0.0653","","","","","","1.101","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512087","19.179","0.0004","11.5855","0.0003","15.5817","0.0004","90","","105.437","0.001","90","","3337.32","0.14","235","2","235","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cu4 I4 S4 -","- C26 H24 Cu4 I4 S4 -","- C104 H96 Cu16 I16 S16 -","4","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","","0.71073","MoKα","","0.052","0.0381","","","0.0986","0.1086","","","","","","1.096","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512088","20.6176","0.001","13.5558","0.0007","15.5707","0.0007","90","","123.399","0.001","90","","3633.2","0.3","115","","115","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.036","0.0322","","","0.093","0.0943","","","","","","1.284","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512089","20.698","0.0013","13.5689","0.0009","15.5919","0.0009","90","","123.481","0.002","90","","3652.4","0.4","155","","155","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0355","0.0311","","","0.0876","0.0891","","","","","","1.255","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512090","20.7724","0.0015","13.58","0.001","15.6132","0.001","90","","123.529","0.002","90","","3671.5","0.5","195","","195","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0454","0.035","","","0.0944","0.0977","","","","","","1.223","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512091","20.843","0.002","13.5799","0.0015","15.6226","0.0015","90","","123.622","0.002","90","","3682.2","0.7","235","","235","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0529","0.0385","","","0.1055","0.1107","","","","","","1.256","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512092","20.941","0.004","13.579","0.003","15.667","0.003","90","","123.704","0.004","90","","3706.2","1.3","235","","235","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 Br2 Cu2 I2 S2 -","- C13 H10 Br2 Cu2 I2 S2 -","- C104 H80 Br16 Cu16 I16 S16 -","8","1","","Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D.","Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers","Crystal Growth & Design","2014","14","11","5373","","10.1021/cg500905z","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0462","0.0366","","","0.1121","0.116","","","","","","1.244","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512093","14.253","0.003","17.358","0.004","24.575","0.005","90","","90","","90","","6080","2","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N4 Ni O7 S -","- C30 H28 N4 Ni O7 S -","- C240 H224 N32 Ni8 O56 S8 -","8","2","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0935","0.0706","","","0.168","0.1869","","","","","","1.025","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512094","13.7575","0.0006","15.2378","0.0006","15.4772","0.0007","90","","107.356","0.004","90","","3096.8","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Cu N4 O10 S -","- C30 H34 Cu N4 O10 S -","- C120 H136 Cu4 N16 O40 S4 -","4","1","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0977","0.0608","","","0.1559","0.1831","","","","","","1.018","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512095","23.529","0.003","19.2568","0.0006","16.5702","0.0019","90","","134.7","0.02","90","","5337","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Cu2 N8 O15 -","- C56 H44 Cu2 N8 O15 -","- C224 H176 Cu8 N32 O60 -","4","0.5","","do Pim, Walace D.; Simões, Tatiana R. G.; Oliveira, Willian X. C.; Fernandes, Isabella R. A.; Pinheiro, Carlos B.; Lloret, Francesc; Julve, Miguel; Stumpf, Humberto O.; Pereira, Cynthia L. M.","Influence of Copper(II) and Nickel(II) Ions in the Topology of Systems Based on a Flexible Bis-Oxamate and Bipyridine Building Blocks","Crystal Growth & Design","2014","14","11","5929","","10.1021/cg501134y","","","1.5418","CuKα","","0.0754","0.0502","","","0.1203","0.1378","","","","","","1.07","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512096","14.5988","0.0011","18.3712","0.0013","29.645","0.002","75.894","0.002","82.961","0.002","89.936","0.002","7649.4","0.9","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3 in manuscript","","","- C40 H50 Br2 Si2 -","- C40 H50 Br2 Si2 -","- C320 H400 Br16 Si16 -","8","4","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1417","0.0623","","","0.1112","0.1324","","","","","","0.91","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512097","13.61","0.004","15.889","0.004","18.55","0.005","83.035","0.005","80.225","0.005","90.002","0.005","3923.1","1.9","200","2","200","2","","","","","","","","5","P -1","-P 1","2","4 in manuscript","","","- C38 H48 I2 N2 Si2 -","- C38 H48 I2 N2 Si2 -","- C152 H192 I8 N8 Si8 -","4","2","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1292","0.0843","","","0.2036","0.2455","","","","","","1.044","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512098","13.244","0.004","15.75","0.005","18.711","0.006","96.878","0.007","100.07","0.007","90.069","0.007","3814","2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","5 in manuscript","","","- C38 H48 Br2 N2 Si2 -","- C38 H48 Br2 N2 Si2 -","- C152 H192 Br8 N8 Si8 -","4","2","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.1653","0.0878","","","0.2172","0.2569","","","","","","1.035","","","","has coordinates","179667","2020-10-21","18:00:00",""
"4512099","35.2753","0.0013","15.2226","0.0005","14.7459","0.0005","90","","104.246","0.001","90","","7674.8","0.5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","6 in manuscript","","","- C38 H47 Br3 N2 Si2 -","- C38 H47 Br3 N2 Si2 -","- C304 H376 Br24 N16 Si16 -","8","1","","Porz, Michael; Rominger, Frank; Bunz, Uwe H. F.","Halogen Bonding in Diaza-Triisopropylsilyl-Tetracene Crystals?","Crystal Growth & Design","2014","14","11","5962","","10.1021/cg5011538","","","0.71073","MoKα","","0.0956","0.0659","","","0.1383","0.1526","","","","","","1.02","","","","has coordinates,has disorder","179667","2020-10-21","18:00:00",""
"4512100","4.9917","0.0002","14.1715","0.0005","9.5119","0.0004","90","","94.629","0.003","90","","670.68","0.05","20","0.1","20","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 O4 -","- C8 H6 O4 -","- C32 H24 O16 -","4","0.5","","Zhurov, Vladimir V.; Pinkerton, A. Alan","Quantifying the Inter- and Intramolecular Interactions in Crystalline Phthalic Acid","Crystal Growth & Design","2014","14","11","5685","","10.1021/cg500970v","","","0.71073","MoKα","","0.0159","0.0159","","","","0.014","0.0157","","","","","0.9865","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512101","9.33","0.0019","13.642","0.003","16.734","0.003","90","","95.92","0.03","90","","2118.5","0.7","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 Mo N8 -","- C8 Cl3 Co Cs4 Mo N8 -","- C32 Cl12 Co4 Cs16 Mo4 N32 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Takahashi, Daisuke; Kinoshita, Takaaki; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Cesium Cyano-Bridged CoII‒MV(M = Mo and W) Layered Frameworks Exhibiting High Thermal Durability and Metamagnetism","Crystal Growth & Design","2014","14","11","6093","","10.1021/cg501250p","","","0.689","synchrotron","","0.047","0.0345","","","0.0837","0.1159","","","","","","0.995","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512102","9.3455","0.0016","13.677","0.002","16.773","0.003","90","","95.956","0.003","90","","2132.3","0.6","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 Cl3 Co Cs4 N8 W -","- C8 Cl3 Co Cs4 N8 W -","- C32 Cl12 Co4 Cs16 N32 W4 -","4","1","","Nakabayashi, Koji; Chorazy, Szymon; Takahashi, Daisuke; Kinoshita, Takaaki; Sieklucka, Barbara; Ohkoshi, Shin-ichi","Cesium Cyano-Bridged CoII‒MV(M = Mo and W) Layered Frameworks Exhibiting High Thermal Durability and Metamagnetism","Crystal Growth & Design","2014","14","11","6093","","10.1021/cg501250p","","","0.71075","MoKα","","0.0698","0.0479","","","0.0852","0.0925","","","","","","1.07","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512103","10.5038","0.0003","34.0884","0.0008","16.2118","0.0004","90","","95.3653","0.0006","90","","5779.3","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53 Co2 N11 O15 S2 -","- C57 H53 Co2 N11 O15 S2 -","- C228 H212 Co8 N44 O60 S8 -","4","1","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0709","0.0518","","","0.1445","0.1548","","","","","","1.017","","","","has coordinates,has disorder","179668","2020-10-21","18:00:00",""
"4512104","18.3924","0.0004","18.3924","0.0004","20.0627","0.001","90","","90","","120","","5877.6","0.3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C78 H80 Co3 N14 O29 -","- C72 H48 Co3 N12 O18 -","- C216 H144 Co9 N36 O54 -","3","0.166667","","Lee, Cheng-Hua; Wu, Jing-Yun; Lee, Gene-Hsiang; Peng, Shie-Ming; Jiang, Jyh-Chiang; Lu, Kuang-Lieh","Correlation of Mesh Size of Metal‒Carboxylate Layer with Degree of Interpenetration in Pillared-Layer Frameworks","Crystal Growth & Design","2014","14","11","5608","","10.1021/cg500871d","","","0.71073","MoKα","","0.0611","0.0437","","","0.1164","0.1231","","","","","","1.008","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512107","10.179","0.002","4.9461","0.001","17.042","0.003","90","","90","","90","","858","0.3","120","0.2","120","0.2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0347","0.032","","","0.075","0.0762","","","","","","1.156","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512108","10.193","0.002","4.9967","0.001","17.127","0.003","90","","90","","90","","872.3","0.3","300","0.5","300","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0375","0.0334","","","0.0752","0.0768","","","","","","1.122","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512109","10.21","0.002","5.008","0.001","17.153","0.003","90","","90","","90","","877.1","0.3","383","0.5","383","0.5","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H32 Li8 N8 O32 S8 -","8","2","","Komornicka, Dorota; Wołcyrz, Marek; Pietraszko, Adam","Polymorphism and Polytypism of α-LiNH4SO4Crystals. Monte Carlo Modeling Based on X-ray Diffuse Scattering","Crystal Growth & Design","2014","14","11","5784","","10.1021/cg501044n","","","0.71073","MoKα","","0.0407","0.0353","","","0.0792","0.0816","","","","","","1.139","","","","has coordinates","179668","2020-10-21","18:00:00",""
"4512111","8.3263","0.0008","12.0421","0.0011","24.7248","0.0019","90","","100.397","0.003","90","","2438.4","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl3 N4 O13 -","- C20 H19 Cl3 N4 O13 -