# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T12:39:27+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 = 13 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
"4507157","9.7285","0.0003","8.443","","8.4433","0.0002","90","","90","","90","","693.51","0.03","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C3 H6 Mn N4 O4 -","- C3 H6 Mn N4 O4 -","- C12 H24 Mn4 N16 O16 -","4","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0254","0.022","","","0.0467","0.0471","","","","","","0.965","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507158","13.0959","0.0019","13.0959","0.0019","13.65","0.003","90","","90","","120","","2027.4","0.6","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C18 H28 Cd5 N36 O -","- C18 H27.99 Cd5 N36 O -","- C36 H55.98 Cd10 N72 O2 -","2","0.166667","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.1272","0.0953","","","0.277","0.2961","","","","","","1.086","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507159","22.2366","0.0002","22.2366","0.0002","18.6742","0.0003","90","","90","","90","","9233.76","0.19","296","2","296","2","","","","","","","","6","I -4","I -4","82","","","","- C12 H19 Cd6 Cl6 N24 O0.5 -","- C12 H18 Cd6 Cl6 N24 O0.5 -","- C96 H144 Cd48 Cl48 N192 O4 -","8","1","","Tseng, Tien-Wen; Luo, Tzuoo-Tsair; Chen, She-Yu; Su, Chong-Cheng; Chi, Kai-Ming; Lu, Kuang-Lieh","Porous Metal‒Organic Frameworks with Multiple Cages Based on Tetrazolate Ligands: Synthesis, Structures, Photoluminescence, and Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","510","","10.1021/cg3009249","","","0.71073","MoKα","","0.0792","0.0515","","","0.1205","0.134","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507160","32.703","0.011","14.7164","0.0012","13.4949","0.0013","90","","91.808","0.018","90","","6491","2","288","2","288","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C50 H82 N14 Ni2 O24 -","- C50 H82 N14 Ni2 O24 -","- C200 H328 N56 Ni8 O96 -","4","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0694","0.0505","","","0.1291","0.1462","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507161","8.0276","0.0007","10.9031","0.0008","16.9025","0.0013","71.996","0.007","82.528","0.006","87.128","0.006","1394.9","0.2","296","2","296","2","","","","","","","","5","P 1","P 1","1","","","","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","- C50 H56 N14 Ni2 O11 -","1","1","","Wu, Benlai; Wang, Song; Wang, Ruiying; Xu, Jinxia; Yuan, Daqiang; Hou, Hongwei","Chiral Metallocycles Templated Novel Chiral Water Frameworks","Crystal Growth & Design","2013","13","2","518","","10.1021/cg300971r","","","0.71073","MoKα","","0.0762","0.065","","","0.1823","0.1943","","","","","","1.037","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507162","7.6851","0.0011","11.6395","0.0016","12.7044","0.0019","105.665","0.007","102.544","0.007","93.172","0.006","1060.2","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H27 La O15 P3 -","- C12 H27 La O15 P3 -","- C24 H54 La2 O30 P6 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.031","0.0261","","","0.0657","0.0671","","","","","","1.204","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507163","5.7098","0.0009","9.6259","0.0014","11.822","0.002","104.874","0.011","96.054","0.011","105.347","0.01","595.02","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H11 La O7 P2 -","- C8 H11 La O7 P2 -","- C16 H22 La2 O14 P4 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.1382","0.0654","","","0.1242","0.1451","","","","","","0.956","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507164","5.717","0.002","8.694","0.003","22.649","0.008","90","","94.384","0.016","90","","1122.4","0.7","150","2","150","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C16 H23 La O13 P4 -","- C16 H16 La O13 P4 -","- C32 H32 La2 O26 P8 -","2","0.5","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.1684","0.1443","","","0.3267","0.3368","","","","","","1.288","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507165","9.232","0.015","9.263","0.015","11.124","0.018","90.15","0.05","93.08","0.05","110.77","0.05","888","3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 La O10 P3 -","- C12 H17 La O10 P3 -","- C24 H34 La2 O20 P6 -","2","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","","","0.71073","MoKα","","0.2594","0.0982","","","0.1943","0.2636","","","","","","0.938","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507166","21.9799","0.0007","5.45813","0.00017","10.8462","0.0003","90","","94.285","0.002","90","","1297.57","0.07","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 La O8 P2 -","- C8 H4 La O8 P2 -","- C32 H16 La4 O32 P8 -","4","1","","Vilela, Sérgio M. F.; Mendes, Ricardo F.; Silva, Patrícia; Fernandes, José A.; Tomé, João P. C.; Paz, Filipe A. Almeida","Structural Diversity of Lanthanum‒Organic Frameworks Based on 1,4-Phenylenebis(methylene)diphosphonic Acid","Crystal Growth & Design","2013","13","2","543","","10.1021/cg301112k","powder diffraction","","1.54175","CuKα","","","","","","","","","11.395","","","","","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507167","17.6585","0.0015","10.7181","0.0009","17.9598","0.0015","90","","116.561","0.001","90","","3040.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 Co3 N2 O24 -","- C48 H44 Co3 N2 O24 -","- C96 H88 Co6 N4 O48 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0551","0.0427","","","0.1217","0.1264","","","","","","1.022","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507168","17.438","","11.119","","18.114","","90","","115.64","","90","","3166.34","","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H66 Co3 N4 O26 -","- C58 H66 Co3 N4 O26 -","- C116 H132 Co6 N8 O52 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0699","0.0572","","","0.1578","0.172","","","","","","1.047","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507169","17.568","0.002","11.272","0.0013","17.955","0.002","90","","115.915","0.002","90","","3198","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H66 Co3 N4 O26 -","- C62 H66 Co3 N4 O26 -","- C124 H132 Co6 N8 O52 -","2","0.5","","Huang, Wen-Huan; Yang, Guo-Ping; Chen, Jun; Chen, Xin; Zhang, Cui-Ping; Wang, Yao-Yu; Shi, Qi-Zhen","Solvent Influence on Sizes of Channels in Three New Co(II) Complexes, Exhibiting an Active Replaceable Coordinated Site","Crystal Growth & Design","2013","13","1","66","","10.1021/cg301146u","","","0.71073","MoKα","","0.0879","0.0535","","","0.1338","0.1734","","","","","","1.037","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507170","15.746","0.005","15.494","0.005","18.78","0.005","90","0.005","103.107","0.005","90","0.005","4462","2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H27 Co N6 O11 -","- C39 H27 Co N6 O11 -","- C156 H108 Co4 N24 O44 -","4","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0932","0.064","","","0.1711","0.1918","","","","","","1.012","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507171","11.1233","0.0004","13.8959","0.0006","13.9541","0.0005","86.47","0.003","66.757","0.003","80.763","0.003","1956.11","0.14","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H27 Cl2 Co N6 O11 -","- C40 H27 Cl2 Co N6 O11 -","- C80 H54 Cl4 Co2 N12 O22 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0614","0.0542","","","0.1333","0.1384","","","","","","1.028","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507172","11.0105","0.0007","15.6825","0.0011","17.8843","0.0008","111.061","0.005","103.503","0.005","99.944","0.005","2687.8","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Co N7 O20 -","- C50 H46 Co N7 O20 -","- C100 H92 Co2 N14 O40 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0703","0.0587","","","0.1559","0.1653","","","","","","1.048","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507173","15.4107","0.0008","19.9408","0.0009","16.008","0.0007","90","","93.073","0.005","90","","4912.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H46 Co N7 O12 -","- C50 H46 Co N7 O12 -","- C200 H184 Co4 N28 O48 -","4","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0717","0.0551","","","0.139","0.149","","","","","","1.033","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507174","11.661","0.005","14.927","0.005","16.137","0.005","109.277","0.005","108.348","0.005","98.36","0.005","2417.2","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Co N6 O25 -","- C42 H52.46 Co N6 O25 -","- C84 H104.92 Co2 N12 O50 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0845","0.0594","","","0.1399","0.1511","","","","","","1.023","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507175","9.151","0.005","15.215","0.005","15.957","0.005","106.78","0.005","96.311","0.005","105.69","0.005","2004.8","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 Co N6 O15 -","- C42 H28 Co N6 O15 -","- C84 H56 Co2 N12 O30 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.2172","0.1386","","","0.2565","0.2983","","","","","","1.115","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507176","13.786","0.005","13.876","0.005","15.715","0.005","101.88","0.005","92.772","0.005","118.48","0.005","2548","1.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H33 Co N7 O17 -","- C45 H33 Co N7 O17 -","- C90 H66 Co2 N14 O34 -","2","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0859","0.0769","","","0.2087","0.217","","","","","","1.057","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507177","13.137","0.005","13.137","0.005","15.308","0.005","90","0.005","90","0.005","90","0.005","2641.9","1.7","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C13.5 H5 Co0.25 N2.5 O5 -","- C13.5 H5 Co0.25 N2.5 O5 -","- C108 H40 Co2 N20 O40 -","8","1","","Kumar, Girijesh; Aggarwal, Himanshu; Gupta, Rajeev","Cobalt Complexes Appended withpara- andmeta-Arylcarboxylic Acids: Influence of Cation, Solvent, and Symmetry on Hydrogen-Bonded Assemblies","Crystal Growth & Design","2013","13","1","74","","10.1021/cg3011629","","","0.71073","MoKα","","0.0689","0.0652","","","0.1641","0.1671","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507178","7.7839","0.0003","8.7456","0.0003","11.0365","0.0004","90","","90","","90","","751.31","0.05","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lithium D-isoascorbate","","- C6 H9 Li O7 -","- C6 H9 Li O7 -","- C24 H36 Li4 O28 -","4","1","","Rao, K. Raghavendra; Aneesh, C.; Bhat, H. L.; Elizabeth, Suja; Pavan, M. S.; Guru Row, Tayur N.","Lithiumd-Isoascorbate Monohydrate, a New Nonlinear Optical Material","Crystal Growth & Design","2013","13","1","97","","10.1021/cg301214n","","","0.71073","MoKα","","0.0297","0.0275","","","0.0661","0.0675","","","","","","1.04","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507179","14.052","0.002","29.581","0.005","13.319","0.002","90","","90","","90","","5536.3","1.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C66 H38 N6 O12 Pb3 -","- C66 H38 N6 O12 Pb3 -","- C264 H152 N24 O48 Pb12 -","4","1","","Li, Lina; Zhang, Shuquan; Han, Liang; Sun, Zhihua; Luo, Junhua; Hong, Maochun","A Non-Centrosymmetric Dual-Emissive Metal‒Organic Framework with Distinct Nonlinear Optical and Tunable Photoluminescence Properties","Crystal Growth & Design","2013","13","1","106","","10.1021/cg301243e","","","0.71073","MoKα","","0.065","0.054","","","0.1256","0.1433","","","","","","1.09","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507180","8.714","0.002","31.611","0.005","12.487","0.003","90","","92.04","0.03","90","","3437.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate methanol 3-solvate","","- C69 H82 N10 O25 -","- C69 H82 N10 O25 -","- C138 H164 N20 O50 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.071","0.0477","","","0.0975","0.108","","","","","","0.991","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507181","8.49","0.002","12.588","0.003","32.933","0.005","90","","94.56","0.03","90","","3508.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-alaninate 5.75-hydrate","","- C66 H81.5 N10 O27.75 -","- C65.994 H79.437 N9.999 O27.715 -","- C131.988 H158.874 N19.998 O55.43 -","2","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.1288","0.0674","","","0.1472","0.1682","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507182","8.713","0.002","12.556","0.003","32.959","0.006","90","","92.74","0.03","90","","3601.6","1.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","brucinium N-(3,5-dinitrobenzoyl)-D-alaninate methanol 0.83-solvate 2.17-hydrate","","","- C33.84 H42.67 N5 O14 -","- C33.836 H42.672 N5 O14 -","- C135.344 H170.688 N20 O56 -","4","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.2364","0.0693","","","0.1295","0.1707","","","","","","0.855","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507183","12.14","0.003","14.708","0.003","38.52","0.004","90","","90","","90","","6878","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","brucinium N-(3,5-dinitrobenzoyl)-L-alaninate 3.58-hydrate","","","- C33 H42.16 N5 O14.58 -","- C33 H42.186 N5 O14.593 -","- C264 H337.488 N40 O116.744 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0629","0.0372","","","0.0699","0.0752","","","","","","0.886","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507184","13.994","0.002","32.022","0.005","13.811","0.003","90","","90","","90","","6188.9","1.9","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","dibrucinium N-(3,5-dinitrobenzoyl)-DL-serinate 0.1-hydrate","","- C66 H70.2 N10 O24.1 -","- C66 H70 N10 O24.1 -","- C264 H280 N40 O96.4 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0729","0.0394","","","0.0781","0.0909","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507185","30.397","0.004","14.143","0.003","8.675","0.002","90","","105.45","0.03","90","","3594.7","1.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","brucinium N-(3,5-dinitrobenzoyl)-D-serinate methanol 2.5-solvate","","- C35.5 H45 N5 O14.5 -","- C35.5 H45 N5 O14.5 -","- C142 H180 N20 O58 -","4","1","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","0.71073","MoKα","","0.0306","0.0289","","","0.076","0.0767","","","","","","1.067","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507186","12.212","0.003","14.727","0.003","38.569","0.005","90","","90","","90","","6936","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","brucinium N-(3,5-dinitrobenzoyl)-L-serinate 3.88-hydrate","","- C33 H42.77 N5 O15.89 -","- C33 H42.7655 N5 O15.8825 -","- C264 H342.124 N40 O127.06 -","8","2","","Białońska, Agata; Ciunik, Zbigniew","Why Is the Resolution of Certain Racemic Modifications Inefficient? Formation of Diastereomeric Double Salts of Brucinium","Crystal Growth & Design","2013","13","1","111","","10.1021/cg3012469","","","1.54175","CuKα","","0.1533","0.0724","","","0.1554","0.1938","","","","","","0.807","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507187","5.995","0.002","8.996","0.01","7.986","0.004","90","","98.63","0.04","90","","425.8","0.5","296","2","296","2","600000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiourea monohydrate","","- C H6 N2 O S -","- C H6 N2 O S -","- C4 H24 N8 O4 S4 -","4","1","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0799","0.0725","","","0.1432","0.1458","","","","","","1.478","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507188","5.9685","0.0008","8.82","0.004","7.9218","0.0013","90","","98.93","0.013","90","","412","0.2","296","2","296","2","1200000","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","thiourea monohydrate","","- C H6 N2 O S -","- C H6 N2 O S -","- C4 H24 N8 O4 S4 -","4","1","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0667","0.0501","","","0.0957","0.0976","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507189","8.02","0.002","8.649","0.006","16.645","0.011","90","","90.78","0.05","90","","1154.5","1.1","296","2","296","2","700000","","","","","","","5","C 1 2/c 1","-C 2yc","15","","thiourea hydrate","","- C H5.33 N2 O0.67 S -","- C H5.33333 N2 O0.666667 S -","- C12 H64 N24 O8 S12 -","12","1.5","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.1864","0.1761","","","0.3419","0.3463","","","","","","2.116","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507190","7.968","0.002","8.5877","0.0013","16.554","0.009","90","","91.01","0.04","90","","1132.6","0.7","296","2","296","2","950000","","","","","","","5","C 1 2/c 1","-C 2yc","15","","thiourea hydrate","","- C H5.33 N2 O0.67 S -","- C H5.33333 N2 O0.666667 S -","- C12 H64 N24 O8 S12 -","12","1.5","","Tomkowiak, Hanna; Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Dependent Formation and Decomposition of Thiourea Hydrates","Crystal Growth & Design","2013","13","1","121","","10.1021/cg301254a","","","0.71073","MoKα","","0.0591","0.0551","","","0.1311","0.1359","","","","","","1.132","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507191","15.5683","0.0009","10.6851","0.0006","17.5607","0.0011","90","","108.342","0.007","90","","2772.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-Form-I","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene","","- C33 H36 O3 -","- C33 H36 O3 -","- C132 H144 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0759","0.0498","","","0.1188","0.138","","","","","","1.034","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507192","13.9797","0.0015","14.1323","0.0014","17.0214","0.0014","89.651","0.007","71.309","0.008","62.366","0.01","2781.1","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1H-Form-II","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene","","- C33 H36 O3 -","- C33 H36 O3 -","- C132 H144 O12 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2064","0.0675","","","0.121","0.1672","","","","","","0.9","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507193","18.468","0.002","9.124","0.01","20.1596","0.0018","90","","105.063","0.011","90","","3280","4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-EAC","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , ethyl acetate solvate","","- C37 H44 O5 -","- C37 H44 O5 -","- C148 H176 O20 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1324","0.0643","","","0.1395","0.174","","","","","","1.039","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507194","13.5252","0.0006","9.1498","0.0004","27.7088","0.0014","90","","102.48","0.005","90","","3348","0.3","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","1H-DXN","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , dioxane","","- C39 H48 O6 -","- C39 H48 O6 -","- C156 H192 O24 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1251","0.0551","","","0.0765","0.0991","","","","","","0.877","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507195","10.3727","0.0005","13.5083","0.0005","13.7846","0.0006","90.136","0.003","111.302","0.004","105.89","0.004","1719.53","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1H-PXL","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , p-xylene","","- C41 H46 O3 -","- C41 H46 O3 -","- C82 H92 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.078","0.0454","","","0.1011","0.1148","","","","","","1.015","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507196","14.0157","0.0003","13.5113","0.0003","16.6427","0.0004","90","","93.771","0.002","90","","3144.81","0.12","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-PYD","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , pyridine","","- C38 H41 N O3 -","- C38 H41 N O3 -","- C152 H164 N4 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0726","0.0439","","","0.0894","0.1028","","","","","","1.008","","","","has coordinates","179607","2020-10-21","18:00:00",""
"4507197","12.8664","0.0014","13.2172","0.0016","13.723","0.002","118.504","0.013","95.59","0.01","96.917","0.009","2003.6","0.5","150","2","150","2","","","","","","","","3","P -1","-P 1","2","1H-BEN","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , benzene","","- C48 H51 O3 -","- C48 H51 O3 -","- C96 H102 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1689","0.0679","","","0.1136","0.154","","","","","","1.01","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507198","11.916","0.0006","13.9655","0.0008","20.9031","0.001","100.499","0.004","97.836","0.004","115.047","0.005","3008.4","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","1H-THF(1)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran","","- C70 H80 O7 -","- C70 H80 O7 -","- C140 H160 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.71073","MoKα","","0.2335","0.0652","","","0.1278","0.1926","","","","","","0.919","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507199","13.5713","0.0012","10.3703","0.0009","22.865","0.002","90","","92.697","0.008","90","","3214.4","0.5","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","1H-THF(2)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrahydrofuran(2)","","- C37 H44 O4 -","- C35 H40 O3.5 -","- C140 H160 O14 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.1671","0.1165","","","0.3321","0.3827","","","","","","1.255","","","","has coordinates,has disorder","179607","2020-10-21","18:00:00",""
"4507200","11.9291","0.0014","14.0095","0.0019","20.825","0.002","99.951","0.011","98.158","0.009","115.35","0.02","3005.4","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","1H-CLF","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , chloroform","","- C67 H73 Cl3 O6 -","- C67 H73 Cl3 O6 -","- C134 H146 Cl6 O12 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2861","0.0815","","","0.1918","0.2886","","","","","","0.937","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507201","9.7646","0.0003","12.9702","0.0004","14.745","0.0005","74.088","0.003","89.036","0.003","78.281","0.003","1756.95","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","1H-TCM(1)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrachloromethane (1)","","- C34.5 H36 Cl6 O3 -","- C34.5 H36 Cl5.997 O3 -","- C69 H72 Cl11.994 O6 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.0937","0.071","","","0.1754","0.1934","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507202","13.59","0.0007","10.4856","0.0005","22.5449","0.0011","90","","92.837","0.005","90","","3208.7","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1H-TCM(2)","2,4,6-Triethyl-1,3,5-trisphenoxymethylbenzene , tetrachloromethane (2)","","- C34 H36 Cl4 O3 -","- C34 H36 Cl4 O3 -","- C136 H144 Cl16 O12 -","4","1","","Bhattacharya, Suman; Saha, Binoy K.","Polymorphism through Desolvation of the Solvates of a van der Waals Host","Crystal Growth & Design","2013","13","2","606","","10.1021/cg301269d","","","0.7107","MoKα","","0.2236","0.0783","","","0.1559","0.2216","","","","","","0.937","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507203","9.7487","0.001","11.0061","0.0015","15.1631","0.0018","90","","94.36","0.011","90","","1622.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 Cu3 N6 O5 -","- C13 H14 Cu3 N6 O5 -","- C52 H56 Cu12 N24 O20 -","4","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0984","0.0448","","","0.0733","0.0874","","","","","","1.061","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507204","26.625","0.007","26.625","0.007","20.024","0.007","90","","90","","120","","12293","6","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H21 Cu3 N6 O8.5 -","- C13 H21 Cu3 N6 O8.5 -","- C234 H378 Cu54 N108 O153 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1307","0.066","","","0.1613","0.1725","","","","","","0.952","","","","has coordinates,has disorder","188994","2020-10-21","18:00:00",""
"4507205","4.863","0.0007","13.578","0.002","9.3241","0.0013","90","","95.563","0.002","90","","612.77","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cu N4 O4 -","- C10 H12 Cu N4 O4 -","- C20 H24 Cu2 N8 O8 -","2","0.5","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0249","0.0226","","","0.0709","0.0727","","","","","","1.059","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507206","22.429","0.0008","22.429","0.0008","10.2923","0.0007","90","","90","","90","","5177.6","0.4","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H26 Cu N8 O8 -","- C20 H26 Cu N8 O8 -","- C160 H208 Cu8 N64 O64 -","8","0.5","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.0554","0.0317","","","0.0421","0.044","","","","","","1.039","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507207","26.795","0.005","26.795","0.005","19.751","0.004","90","","90","","120","","12281","4","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C14 H18 Cu3 N6 O8 -","- C14 H17 Cu3 N6 O7.45 -","- C252 H306 Cu54 N108 O134.1 -","18","1","","Di Nicola, Corrado; Forlin, Enrico; Garau, Federica; Gazzano, Massimo; Lanza, Arianna; Monari, Magda; Nestola, Fabrizio; Pandolfo, Luciano; Pettinari, Claudio; Zorzi, Alberto; Zorzi, Federico","Coordination Polymers Based on the Trinuclear Triangular Secondary Building Unit [Cu3(μ3-OH)(μ-pz)3]2+(pz = pyrazolate) and Succinate Anion","Crystal Growth & Design","2013","13","1","126","","10.1021/cg3012712","","","0.71073","MoKα","","0.1032","0.0778","","","0.2227","0.2617","","","","","","1.082","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507208","7.9085","0.0016","11.011","0.002","21.752","0.004","90","","90","","90","","1894.2","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-hydroxyethylammonium benzoate","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C72 H104 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0459","0.034","","","0.09","0.0958","","","","","","1.012","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507209","9.795","0.002","26.905","0.005","7.989","0.0016","90","","90","","90","","2105.4","0.7","293","2","293","2","","","","","","","","4","I b a 2","I 2 -2c","45","","2-hydroxyethylammonium 4-methylbenzoate","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C80 H120 N8 O24 -","8","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0499","0.0375","","","0.1027","0.1091","","","","","","1.008","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507210","6.189","0.0012","14.891","0.003","23.594","0.005","90","","90","","90","","2174.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-hydroxyethylammonium 4-metoxybenzoate","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C80 H120 N8 O32 -","8","2","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0665","0.0474","","","0.1272","0.1355","","","","","","1.006","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507211","21.318","0.004","4.499","0.0009","11.179","0.002","90","","116.69","0.03","90","","957.9","0.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2-hydroxyethylammonium 4-hydroxybenzoate","","- C9 H13 N O4 -","- C9 H13 N O4 -","- C36 H52 N4 O16 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.029","0.0286","","","0.0831","0.0836","","","","","","1.037","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507212","6.0255","0.0012","7.3836","0.0015","23.049","0.005","90","","90","","90","","1025.4","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-chlorobenzoate","","- C9 H12 Cl N O3 -","- C9 H12 Cl N O3 -","- C36 H48 Cl4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0319","0.0258","","","0.0556","0.0572","","","","","","1.017","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507213","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-bromobenzoate","","- C9 H12 Br N O3 -","- C9 H12 Br N O3 -","- C36 H48 Br4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","1.54184","CuKα","","0.0185","0.0183","","","0.0543","0.0545","","","","","","1.003","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507214","6.029","0.0012","7.352","0.0015","23.192","0.005","90","","90","","90","","1028","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2-hydroxyethylammonium 4-iodobenzoate","","- C9 H12 I N O3 -","- C9 H12 I N O3 -","- C36 H48 I4 N4 O12 -","4","1","","Crisan, Manuela; Bourosh, Paulina; Chumakov, Yurii; Petric, Mihaela; Ilia, Gheorghe","Supramolecular Assembly and Ab Initio Quantum Chemical Calculations of 2-Hydroxyethylammonium Salts ofpara-Substituted Benzoic Acids","Crystal Growth & Design","2013","13","1","143","","10.1021/cg301304y","","","0.71073","MoKα","","0.0497","0.0494","","","0.1252","0.1255","","","","","","1.019","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507215","13.953","0.003","9.914","0.002","10.176","0.002","90","","104.151","0.004","90","","1364.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Cobalt carboxylate","","","- C14 H12 Co O7 -","- C14 H12 Co O7 -","- C56 H48 Co4 O28 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.1008","0.0609","","","0.1217","0.147","","","","","","1.115","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507216","13.262","0.003","11.519","0.002","9.2992","0.0018","90","","90.913","0.004","90","","1420.4","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","Cobalt Carboxylate","","","- C17 H12 Co0.5 N2 O2.5 -","- C17 H12 Co0.5 N2 O2.5 -","- C68 H48 Co2 N8 O10 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.0615","0.0455","","","0.0984","0.1061","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507217","13.321","0.002","13.809","0.002","19.818","0.003","90","","101.154","0.003","90","","3576.7","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Manganese Carboxylate","","","- C38 H24 Mn2 N2 O10 -","- C38 H24 Mn2 N2 O10 -","- C152 H96 Mn8 N8 O40 -","4","1","","Mahata, Partha; Draznieks, Caroline-Mellot; Roy, Partha; Natarajan, Srinivasan","Solid State and Solution Mediated Multistep Sequential Transformations in Metal‒Organic Coordination Networks","Crystal Growth & Design","2013","13","1","155","","10.1021/cg301306m","","","0.71073","MoKα","","0.0784","0.0483","","","0.0971","0.1094","","","","","","1.047","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507218","11.4957","0.0008","11.4957","0.0008","37.257","0.004","90","","90","","90","","4923.6","0.7","173","2","173","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C27 H23 Co N3 O5 -","- C27 H22 Co N3 O5 -","- C216 H176 Co8 N24 O40 -","8","1","","Mehlana, Gift; Bourne, Susan A.; Ramon, Gaëlle; Öhrström Lars","Concomitant Metal Organic Frameworks of Cobalt(II) and 3-(4-Pyridyl)benzoate: Optimized Synthetic Conditions of Solvatochromic and Thermochromic Systems","Crystal Growth & Design","2013","13","2","633","","10.1021/cg301312v","","","0.71073","MoKα","","0.079","0.0658","","","0.1384","0.1432","","","","","","1.179","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507219","10.0496","0.0014","13.6781","0.0019","23.552","0.003","90","","94.541","0.003","90","","3227.3","0.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H33 Br Co N6 O4 -","- C32 H33 Br Co N6 O4 -","- C128 H132 Br4 Co4 N24 O16 -","4","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.1286","0.0885","","","0.1462","0.1606","","","","","","1.168","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507220","10.172","0.006","14.001","0.008","17.235","0.01","100.546","0.011","94.864","0.011","105.435","0.011","2303","2","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Br3 N4 O14 Zn2 -","- C40 H31 Br3 N4 O14 Zn2 -","- C80 H62 Br6 N8 O28 Zn4 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.1585","0.0874","","","0.1744","0.2016","","","","","","0.983","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507221","9.594","0.005","11.921","0.008","13.227","0.007","93.933","0.013","106.926","0.01","113.703","0.008","1295.1","1.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Co N2 O7 S -","- C26 H26 Co N2 O7 S -","- C52 H52 Co2 N4 O14 S2 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.0565","0.0532","","","0.1401","0.1429","","","","","","1.06","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507222","11.2894","0.0016","11.4307","0.0016","12.8725","0.0018","98.167","0.003","95.654","0.003","109.315","0.002","1532.8","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Co N2 O6 S -","- C22 H18 Co N2 O6 S -","- C44 H36 Co2 N4 O12 S2 -","2","1","","Bisht, Kamal Kumar; Suresh, Eringathodi","Co(II)/Zn(II) Coordination Polymers with Angular Dicarboxylate and Flexible N-Donor Struts: Structural and Photoluminescence Studies","Crystal Growth & Design","2013","13","2","664","","10.1021/cg301329c","","","0.71073","MoKα","","0.0601","0.0558","","","0.1791","0.1881","","","","","","1.131","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507223","10.19979","0.00012","10.19979","","10.19979","","90","","90","","90","","1061.14","0.012","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na4 Si23 -","- Na4 Si23 -","- Na8 Si46 -","2","0.0416667","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.23702","","1.15","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507224","10.1961","0.0007","10.1961","0.0007","10.1961","0.0007","90","","90","","90","","1059.99","0.13","293","2","293","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Na8 Si46 -","- Na8 Si46 -","- Na8 Si46 -","1","0.0208333","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","","","0.71073","MoKα","","0.052","0.0306","","","0.0333","0.0358","","","","","","1.003","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507225","14.71667","0.00008","14.71667","","14.71667","","90","","90","","90","","3187.34","0.017","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na3 Si17 -","- Na3 Si17 -","- Na24 Si136 -","8","0.0416667","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507226","5.43","","5.43","","5.43","","90","","90","","90","","160.103","","","","","","","","","","","","","1","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Si -","- Si -","- Si16 -","16","0.0833333","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507227","14.7156","0.0001","14.7156","0.0001","14.7156","0.0001","90","","90","","90","","3186.65","0.04","293","2","293","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Na24 Si136 -","- Na24 Si136 -","- Na24 Si136 -","1","0.00520833","","Stefanoski, S.; Blosser, M. C.; Nolas, G. S.","Pressure Effects on the Size of Type-I and Type-II Si-Clathrates Synthesized by Spark Plasma Sintering","Crystal Growth & Design","2013","13","1","195","","10.1021/cg3013443","","","0.71073","MoKα","","0.0662","0.063","","","0.0879","0.0885","","","","","","1.577","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507228","12.036","0.002","16.838","0.003","40.383","0.008","90","","90.46","0.03","90","","8184","3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C105 H95 N10 O20 Zn4 -","- C105 H95 N10 O20 Zn4 -","- C210 H190 N20 O40 Zn8 -","2","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","","0.71073","MoKα","","0.0744","0.0483","","","0.1097","0.1139","","","","","","0.991","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507229","27.597","0.004","27.597","0.004","21.871","0.004","90","","90","","120","","14425","4","293","2","293","2","","","100","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C42 H34 Cu2 N4 O10 -","- C42 H34 Cu2 N4 O10 -","- C252 H204 Cu12 N24 O60 -","6","0.5","","Nickerl, Georg; Notzon, Andreas; Heitbaum, Maja; Senkovska, Irena; Glorius, Frank; Kaskel, Stefan","Selective Adsorption Properties of Cationic Metal‒Organic Frameworks Based on Imidazolic Linker","Crystal Growth & Design","2013","13","1","198","","10.1021/cg301347t","","x-ray","0.88561","synchrotron","","0.0642","0.0594","","","0.1818","0.1882","","","","","","1.088","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507230","30.1777","0.0017","21.4903","0.0016","33.5299","0.0018","90","","90","","90","","21745","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C117 H72 N3 O18 Zn4 -","- C117 H72 N3 O18 Zn4 -","- C468 H288 N12 O72 Zn16 -","4","1","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.1213","0.0681","","","0.1583","0.1788","","","","","","0.91","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507231","8.4319","0.0009","12.8251","0.0013","20.924","0.005","73.462","0.016","84.692","0.013","78.307","0.009","2122.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H70 Mg3 N4 O16 -","- C86 H70 Mg3 N4 O16 -","- C86 H70 Mg3 N4 O16 -","1","0.5","","He, Yan-Ping; Tan, Yan-Xi; Zhang, Jian","Stable Mg-Metal‒Organic Framework (MOF) and Unstable Zn-MOF Based on Nanosized Tris((4-carboxyl)phenylduryl)amine Ligand","Crystal Growth & Design","2013","13","1","6","","10.1021/cg3013574","","","0.71073","MoKα","","0.0994","0.0921","","","0.2274","0.2306","","","","","","1.105","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507232","13.402","0.002","6.798","0.003","6.9428","0.0007","90","","90","","90","","632.5","0.3","296","2","296","2","","","60000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0746","0.0649","","","0.1197","0.1234","","","","","","1.118","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507233","13.189","0.008","6.7596","0.0011","6.9528","0.0014","90","","90","","90","","619.9","0.4","296","2","296","2","","","160000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1134","0.0989","","","0.2548","0.2635","","","","","","1.237","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507234","13.098","0.015","6.765","0.008","6.963","0.009","90","","90","","90","","617","1.3","293","2","296","2","","","230000","","","","","3","P n a 21","P 2c -2n","33","benzimidazole phase αlpha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C28 H24 N8 -","4","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1714","0.1108","","","0.2451","0.2758","","","","","","1.114","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507235","9.6053","0.0016","16.021","0.003","7.4386","0.0014","90","","90","","90","","1144.7","0.4","296","2","296","2","","","620000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0889","0.0739","","","0.1655","0.1747","","","","","","1.206","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507236","9.55","0.003","15.84","0.015","7.367","0.004","90","","90","","90","","1114.4","1.3","296","2","296","2","","","1050000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1618","0.1297","","","0.2116","0.223","","","","","","1.262","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507237","9.523","0.0017","15.651","0.003","7.3106","0.0015","90","","90","","90","","1089.6","0.4","296","2","296","2","","","1410000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0633","0.0519","","","0.109","0.115","","","","","","1.219","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507238","9.4896","0.0015","15.564","0.003","7.2671","0.0014","90","","90","","90","","1073.3","0.3","296","2","296","2","","","1720000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0584","0.0479","","","0.1118","0.1196","","","","","","0.952","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507239","9.4697","0.0015","15.511","0.003","7.2413","0.0014","90","","90","","90","","1063.6","0.3","296","2","296","2","","","1920000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0564","0.0477","","","0.0959","0.0997","","","","","","1.274","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507240","9.4365","0.0016","15.444","0.003","7.2004","0.0015","90","","90","","90","","1049.4","0.3","296","2","296","2","","","2240000","","","","","3","P c c n","-P 2ab 2ac","56","benzimidazole phase βetha","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.0672","0.0561","","","0.1087","0.1136","","","","","","1.305","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507241","9.821","0.006","7.969","0.005","13.109","0.009","90","","90","","90","","1026","1.1","296","2","296","2","","","2230000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1525","0.1234","","","0.2058","0.2175","","","","","","1.22","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507242","9.81","0.007","7.966","0.005","13.074","0.009","90","","90","","90","","1021.7","1.2","296","2","296","2","","","2270000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1879","0.1407","","","0.1889","0.2033","","","","","","1.401","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507243","9.782","0.006","7.859","0.004","12.967","0.008","90","","90","","90","","996.9","1","296","2","296","2","","","2900000","","","","","3","P b c a","-P 2ac 2ab","61","benzimidazole phase γamma","1,3-benzodiazole","","- C7 H6 N2 -","- C7 H6 N2 -","- C56 H48 N16 -","8","1","","Zieliński, Witold; Katrusiak, Andrzej","Hydrogen Bonds NH···N in Compressed Benzimidazole Polymorphs","Crystal Growth & Design","2013","13","2","696","","10.1021/cg301374z","","","0.71073","MoKα","","0.1557","0.1222","","","0.1935","0.2064","","","","","","1.241","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507244","8.2688","0.0003","6.3458","0.0002","12.8427","0.0004","90","","106.785","0.0007","90","","645.17","0.04","90","1","90","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 N7 O2 -","- C12 H15 N7 O2 -","- C24 H30 N14 O4 -","2","0.5","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen‒Watson‒Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","MoKα","","0.0151","0.0151","","","0.0207","0.0207","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507245","7.4877","0.0005","12.2678","0.0006","7.6797","0.0005","90","","112.11","0.007","90","","653.56","0.08","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 N5 -","- C6 H7 N5 -","- C24 H28 N20 -","4","1","","Jarzembska, Katarzyna N.; Goral, Anna M.; Gajda, Roman; Dominiak, Paulina M.","Hoogsteen‒Watson‒Crick 9-Methyladenine:1-Methylthymine Complex: Charge Density Study in the Context of Crystal Engineering and Nucleic Acid Base Pairing","Crystal Growth & Design","2013","13","1","239","","10.1021/cg301393e","","","0.71073","Mo-Kα","","0.0268","0.0268","","","0.0275","0.0275","","","","","","1.262","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507246","16.829","0.003","14.358","0.003","11.977","0.002","90","","118.15","0.03","90","","2551.7","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Mg2 O14 -","- C17 H18 Mg2 O14 -","- C68 H72 Mg8 O56 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0751","0.0678","","","0.199","0.2069","","","","","","1.064","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507247","16.791","0.003","14.107","0.003","12.228","0.002","90","","119.02","0.03","90","","2532.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 Co2 N0 O14 -","- C17 H18 Co2 O14 -","- C68 H72 Co8 O56 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0594","0.051","","","0.1639","0.173","","","","","","1.097","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507248","9.942","0.011","10.426","0.011","12.77","0.014","109.996","0.011","107.303","0.01","92.141","0.009","1173","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Cd3 N2 O21 -","- C38 H38 Cd3 N2 O21 -","- C38 H38 Cd3 N2 O21 -","1","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0784","0.0776","","","0.2138","0.2146","","","","","","1.097","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507249","14.271","0.003","14.432","0.003","22.549","0.005","90","","99.86","0.03","90","","4575.6","1.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 Cd2 N O12 -","- C21 H21 Cd2 N O12 -","- C84 H84 Cd8 N4 O48 -","4","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0455","","","0.1359","0.1391","","","","","","1.092","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507250","9.953","0.004","24.553","0.009","17.799","0.006","90","","90","","90","","4350","3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C17 H8 In N0 O9 -","- C17 H8 In O9 -","- C68 H32 In4 O36 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0636","0.0606","","","0.1751","0.1785","","","","","","1.075","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507251","14.737","0.003","16.423","0.004","16.618","0.004","90","","90","","90","","4022","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 Eu N0 O9 -","- C17 H8 Eu O9 -","- C136 H64 Eu8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0471","0.0471","","","0.1199","0.1199","","","","","","1.132","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507252","14.6641","0.001","16.3979","0.0008","16.5888","0.0008","90","","90","","90","","3989","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Gd O9 -","- C17 H8 Gd O9 -","- C136 H64 Gd8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0455","0.0394","","","0.0933","0.0954","","","","","","1.11","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507253","14.748","0.003","16.301","0.004","16.572","0.004","90","","90","","90","","3984","1.6","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C17 H8 N0 O9 Tb -","- C17 H8 O9 Tb -","- C136 H64 O72 Tb8 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.05","0.0488","","","0.1222","0.1232","","","","","","1.081","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507254","14.7885","0.001","16.1587","0.0008","16.5084","0.0008","90","","90","","90","","3944.9","0.4","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H8 Dy O9 -","- C17 H8 Dy O9 -","- C136 H64 Dy8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0408","0.0378","","","0.0853","0.0866","","","","","","1.151","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507255","14.8769","0.0015","16.0349","0.0013","16.5271","0.0013","90","","90","","90","","3942.5","0.6","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C17 H0 Ho O9 -","- C17 H8 Ho O9 -","- C136 H64 Ho8 O72 -","8","1","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.1138","0.0981","","","0.2368","0.2447","","","","","","1.111","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507256","10.8786","0.0007","10.8786","0.0007","16.466","0.002","90","","90","","90","","1948.7","0.3","293","2","293","2","","","","","","","","4","P 43 2 2","P 4cw 2c","95","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.071","0.057","","","0.1286","0.1357","","","","","","1.087","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507257","10.8801","0.0003","10.8801","0.0003","16.4712","0.0006","90","","90","","90","","1949.8","0.1","298","2","298","2","","","","","","","","4","P 41 2 2","P 4w 2c","91","","","","- C17 H8 O9 Yb -","- C17 H8 O9 Yb -","- C68 H32 O36 Yb4 -","4","0.5","","Lin, Zu-Jin; Han, Li-Wei; Wu, Dong-Shuang; Huang, Yuan-Biao; Cao, Rong","Structure Versatility of Coordination Polymers Constructed from a Semirigid Tetracarboxylate Ligand: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","255","","10.1021/cg301405r","","","0.71073","MoKα","","0.0467","0.042","","","0.1094","0.1118","","","","","","1.106","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507258","11.806","0.007","13.182","0.008","14.862","0.009","100.076","0.007","101.519","0.007","107.103","0.007","2098","2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H36.5 Ag3 N6 -","- C46.5 H33 Ag3 N6 -","- C93 H66 Ag6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0441","0.0349","","","0.1093","0.1155","","","","","","1.055","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507259","14.082","0.004","15.035","0.004","16.149","0.005","115.984","0.006","100.687","0.005","100.292","0.006","2886.5","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H54 Ag6 N12 -","- C60 H54 Ag6 N12 -","- C120 H108 Ag12 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.133","0.0529","","","0.1136","0.1529","","","","","","0.908","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507260","7.617","0.006","14.224","0.011","15.311","0.012","108.204","0.009","102.225","0.01","90.82","0.01","1534","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Ag3 N6 O -","- C31 H31 Ag3 N6 O -","- C62 H62 Ag6 N12 O2 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0663","0.044","","","0.1178","0.1337","","","","","","0.977","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507261","10.289","0.002","27.383","0.006","15.356","0.003","90","","91.952","0.004","90","","4323.9","1.5","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C91 H62 Ag6 Br6 Cl2 N12 -","- C91 H62 Ag6 Br6 Cl2 N12 -","- C182 H124 Ag12 Br12 Cl4 N24 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1432","0.0595","","","0.0991","0.1471","","","","","","0.874","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507262","30.132","0.004","17.197","0.002","17.427","0.002","90","","98.396","0.002","90","","8933.5","1.9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H32 Au3 Br3 Cl2 N6 -","- C46 H32 Au3 Br3 Cl2 N6 -","- C368 H256 Au24 Br24 Cl16 N48 -","8","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.0377","0.0254","","","0.054","0.0672","","","","","","1.048","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507263","11.144","0.018","11.983","0.009","13.076","0.01","113.598","0.01","100.645","0.013","101.305","0.013","1500","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 Ag3 Br3 N6 -","- C21 H30 Ag3 Br3 N6 -","- C42 H60 Ag6 Br6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1003","0.0526","","","0.1324","0.1506","","","","","","1.107","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507264","7.624","0.006","14.456","0.012","14.713","0.012","114.799","0.008","91.26","0.01","94.63","0.01","1464","2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Ag3 Cl3 N6 -","- C27 H18 Ag3 Cl3 N6 -","- C54 H36 Ag6 Cl6 N12 -","2","1","","Yang, Guang; Baran, Peter; Martínez, Angel R.; Raptis, Raphael G.","Substituent Effects on the Supramolecular Aggregation of AgI-Pyrazolato Trimers","Crystal Growth & Design","2013","13","1","264","","10.1021/cg301411j","","","0.71073","MoKα","","0.1013","0.0577","","","0.1628","0.2004","","","","","","1.03","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507265","11.05","0.003","11.05","0.003","27.772","0.01","90","","90","","120","","2936.7","1.5","296","2","296","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H20 Co2 N2 O11 -","- C26 H20 Co2 N2 O11 -","- C78 H60 Co6 N6 O33 -","3","0.5","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.0502","0.0421","","","0.0994","0.1012","","","","","","0.941","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507266","6.404","0.003","16.046","0.007","25.698","0.011","106.593","0.006","96.038","0.006","92.975","0.006","2507.4","1.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H44 Co4 N4 O24 -","- C52 H44 Co4 N4 O24 -","- C104 H88 Co8 N8 O48 -","2","1","","Hou, Lei; Liu, Bin; Jia, Li-Na; Wei, Lei; Wang, Yao-Yu; Shi, Qi-Zhen","Two New (3,6)-Connected Frameworks Based on an Unsymmetrical Tritopic Pyridyldicarboxylate Ligand and Co2Dimer: Structures, Magnetic, and Sorption Properties","Crystal Growth & Design","2013","13","2","701","","10.1021/cg301413u","","","0.71073","MoKα","","0.1079","0.0707","","","0.1578","0.1939","","","","","","1.05","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507267","8.903","0.001","11.587","0.001","14.291","0.001","82.47","0.01","82.03","0.01","84.27","0.01","1442.4","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H20 Cl2 Cu N8 O8 -","- C28 H20 Cl2 Cu N8 O8 -","- C56 H40 Cl4 Cu2 N16 O16 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0582","0.0429","","","0.0969","0.106","","","","","","1.051","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507268","10.216","0.001","11.356","0.001","12.293","0.002","65.75","0.01","89.64","0.01","75.8","0.01","1253.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 Cl3 Cu2 N4 O17 -","- C14 H17 Cl3 Cu2 N4 O17 -","- C28 H34 Cl6 Cu4 N8 O34 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0644","0.0365","","","0.0847","0.0897","","","","","","0.908","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507269","25.841","0.009","8.544","0.003","20.482","0.009","90","","123.6","0.03","90","","3767","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl2 Cu N4 O9 -","- C14 H12 Cl2 Cu N4 O9 -","- C112 H96 Cl16 Cu8 N32 O72 -","8","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0754","0.0502","","","0.1365","0.1461","","","","","","0.976","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507270","12.1811","0.0003","15.6873","0.0003","17.9688","0.0004","90","","91.584","0.001","90","","3432.32","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cl2 Cu N4 O8 -","- C14 H10 Cl2 Cu N4 O8 -","- C112 H80 Cl16 Cu8 N32 O64 -","8","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0571","0.0446","","","0.1258","0.1362","","","","","","1.032","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507271","8.1979","0.0008","10.6608","0.0009","11.2985","0.0011","90.149","0.007","96.531","0.008","100.772","0.007","963.46","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cu2 N16 O -","- C14 H12 Cu2 N16 O -","- C28 H24 Cu4 N32 O2 -","2","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0785","0.0428","","","0.0839","0.0955","","","","","","1.024","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507272","9.9873","0.0004","20.0523","0.0008","11.4886","0.0004","90","","96.138","0.001","90","","2287.61","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 Cu2 N13 O2 -","- C20 H13 Cu2 N13 O2 -","- C80 H52 Cu8 N52 O8 -","4","1","","Mastropietro, Teresa F.; Marino, Nadia; Armentano, Donatella; De Munno, Giovanni; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel","Anion-Directed Self-Assembly of Unusual Discrete and One-Dimensional Copper(II) Complexes of 3,6-Bis(2′-pyridyl)pyridazine","Crystal Growth & Design","2013","13","1","270","","10.1021/cg301415p","","","0.71073","MoKα","","0.0536","0.0364","","","0.0938","0.1029","","","","","","1.047","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507273","20.3871","0.0013","7.7263","0.0002","14.6064","0.0009","90","","128.494","0.01","90","","1800.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","3,4 DAP phosphate","3,4 diaminopyridine dihydrogen phosphate","","- C5 H10 N3 O4 P -","- C5 H10 N3 O4 P -","- C40 H80 N24 O32 P8 -","8","1","","Mahé Nathalie; Nicolaï Béatrice; Allouchi, Hassan; Barrio, Maria; Do, Bernard; Céolin, René; Tamarit, Josep-Lluis; Rietveld, Ivo B.","Crystal Structure and Solid-State Properties of 3,4-Diaminopyridine Dihydrogen Phosphate and Their Comparison with Other Diaminopyridine Salts","Crystal Growth & Design","2013","13","2","708","","10.1021/cg3014249","","","0.7107","MoKα","","0.0577","0.0367","","","0.0945","0.102","","","","","","0.964","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507274","29.2","0.002","11.9144","0.0009","14.0146","0.001","90","","92.054","0.007","90","","4872.6","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd N4 O7 -","- C18 H18 Cd N4 O7 -","- C144 H144 Cd8 N32 O56 -","8","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0842","0.0481","","","0.129","0.1523","","","","","","1.07","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507275","24.709","0.003","11.5985","0.0012","14.2484","0.0015","90","","103.464","0.007","90","","3971.2","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd N4 O6 -","- C14 H16 Cd N4 O6 -","- C112 H128 Cd8 N32 O48 -","8","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0356","0.0319","","","0.1154","0.1184","","","","","","1.112","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507276","12.6099","0.0002","12.1229","0.0002","14.2819","0.0003","90","","98.41","0.001","90","","2159.78","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 Cd N4 O8 -","- C18 H22 Cd N4 O8 -","- C72 H88 Cd4 N16 O32 -","4","1","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0265","0.0243","","","0.0658","0.0671","","","","","","1.086","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507277","23.7901","0.0009","8.6694","0.0003","29.5375","0.0009","90","","113.205","0.003","90","","5599.2","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cd3 N8 O20 -","- C44 H48 Cd3 N8 O20 -","- C176 H192 Cd12 N32 O80 -","4","0.5","","Bhattacharya, Biswajit; Dey, Rajdip; Pachfule, Pradip; Banerjee, Rahul; Ghoshal, Debajyoti","Four 3D Cd(II)-Based Metal Organic Hybrids with Different N,N′-Donor Spacers: Syntheses, Characterizations, and Selective Gas Adsorption Properties","Crystal Growth & Design","2013","13","2","731","","10.1021/cg3014464","","","0.71073","MoKα","","0.0556","0.0531","","","0.1449","0.1462","","","","","","1.294","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507278","11.372","0.001","9.4405","0.0008","28.453","0.002","90","","90","","90","","3054.6","0.4","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H15 N O3 S -","- C17 H15 N O3 S -","- C136 H120 N8 O24 S8 -","8","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.076","0.0671","","","0.1554","0.1606","","","","","","1.139","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507279","10.865","0.002","6.3351","0.0012","26.008","0.005","90","","100.004","0.003","90","","1762.9","0.6","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N O3 S -","- C20 H18 N O3 S -","- C80 H72 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0822","0.0496","","","0.1196","0.132","","","","","","1.009","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507280","10.8561","0.001","6.3533","0.0006","26.403","0.003","90","","98.229","0.001","90","","1802.3","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H15 N O3 S -","- C20.5 H15 N O3 S -","- C82 H60 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0705","0.0506","","","0.1367","0.1513","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507281","12.744","0.005","6.242","0.002","22.864","0.009","90","","93.911","0.005","90","","1814.6","1.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 S -","- C20 H21 N O3 S -","- C80 H84 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0525","0.0395","","","0.1063","0.1133","","","","","","1.042","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507282","10.917","0.003","6.1745","0.0018","32.434","0.009","90","","96.594","0.004","90","","2171.8","1.1","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.085","0.0508","","","0.1292","0.1523","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507283","11.1932","0.0013","6.0493","0.0007","32.694","0.004","90","","98.736","0.001","90","","2188.1","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Sakai, Takahiro; Katagiri, Kosuke; Uemura, Yuki; Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Pseudopolymorphism and Polymorphic Transition Behavior ofN-(4′-Methoxyphenyl)-2-naphthalenesulfonamide","Crystal Growth & Design","2013","13","1","308","","10.1021/cg301457v","","","0.71073","MoKα","","0.0483","0.0362","","","0.0898","0.0962","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507284","12.076","0.003","6.3815","0.0016","32.01","0.008","90","","90","","90","","2466.8","1.1","150","","150","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C32 H32 N2 O2 -","- C32 H32 N2 O2 -","- C128 H128 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0372","0.0317","","","0.0726","0.076","","","","","","1.034","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507285","6.2857","0.0019","12.624","0.004","32.881","0.01","90","","90","","90","","2609.1","1.4","120","","120","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H36 N2 O2 -","- C34 H36 N2 O2 -","- C136 H144 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0468","0.0395","","","0.1023","0.1074","","","","","","1.041","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507286","9.893","0.012","7.77","0.009","35.39","0.04","90","","96.781","0.013","90","","2701","5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Cl2 N2 O2 -","- C32 H30 Cl2 N2 O2 -","- C128 H120 Cl8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.1028","0.0703","","","0.2301","0.2833","","","","","","1.128","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507287","7.7044","0.0015","11.564","0.002","32.152","0.007","90","","96.56","0.002","90","","2845.8","1","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H34 Cl2 N2 O2 -","- C34 H34 Cl2 N2 O2 -","- C136 H136 Cl8 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0444","0.039","","","0.1005","0.1042","","","","","","1.034","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507288","7.6272","0.0014","11.462","0.002","32.491","0.006","90","","96.602","0.002","90","","2821.6","0.9","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H32 Cl2 N2 O2 -","- C34 H32 Cl2 N2 O2 -","- C136 H128 Cl8 N8 O8 -","4","0.5","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0413","0.0331","","","0.0843","0.0893","","","","","","1.048","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507289","19.233","0.002","7.286","0.001","21.471","0.002","90","","116.647","0.008","90","","2689.2","0.6","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br2 N2 O2 -","- C32 H30 Br2 N2 O2 -","- C128 H120 Br8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0477","0.0309","","","0.0695","0.0758","","","","","","1.008","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507290","9.6666","0.0014","10.5148","0.0015","16.003","0.002","79.171","0.002","82.682","0.002","73.44","0.002","1526.6","0.4","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34 Br2 N2 O3 -","- C34 H34 Br2 N2 O3 -","- C68 H68 Br4 N4 O6 -","2","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0368","0.0303","","","0.0784","0.082","","","","","","1.037","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507291","33.81","0.013","11.423","0.004","7.647","0.003","90","","101.221","0.004","90","","2896.9","1.9","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H32 Br2 N2 O2 -","- C34 H32 Br2 N2 O2 -","- C136 H128 Br8 N8 O8 -","4","1","","Masu, Hyuma; Tominaga, Masahide; Azumaya, Isao","Hydrogen-Bonded 1D Chains Formed from Adamantane-Based Bisphenols and Bispyridines: Influences of Substitution Groups on Phenol Ring","Crystal Growth & Design","2013","13","2","752","","10.1021/cg301462v","","","0.71073","MoKα","","0.0383","0.0355","","","0.0882","0.0898","","","","","","1.054","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507292","10.0704","0.0003","14.2521","0.0003","17.5644","0.0006","90","","94.281","0.002","90","","2513.89","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Ca2 N2 O10 S2 -","- C18 H18 Ca2 N2 O10 S2 -","- C72 H72 Ca8 N8 O40 S8 -","4","1","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0569","0.0494","","","0.1441","0.1519","","","","","","1.07","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507293","5.3331","0.0005","6.8981","0.0004","18.1411","0.0016","90","","90","","90","","667.38","0.09","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C6 H2 Ca O4 S -","- C6 H2 Ca O4 S -","- C24 H8 Ca4 O16 S4 -","4","0.5","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.71073","MoKα","","0.0367","0.0289","","","0.0715","0.0768","","","","","","1.063","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507294","5.9795","0.0003","17.0583","0.001","11.3592","0.0006","90","","91.257","0.001","90","","1158.36","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8.25 N O5 S Sr -","- C9 H8.182 N O5 S Sr -","- C36 H32.728 N4 O20 S4 Sr4 -","4","1","","Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis; Parise, John B.","Synthesis, Structures and Photoluminescence Properties of a Series of Alkaline Earth Metal-Based Coordination Networks Synthesized Using Thiophene-Based Linkers","Crystal Growth & Design","2013","13","1","326","","10.1021/cg301471r","","","0.41328","synchrotron","","0.0228","0.0183","","","0.055","0.0715","","","","","","1.244","","","","has coordinates,has disorder","179608","2020-10-21","18:00:00",""
"4507295","8.609","0.0001","10.7972","0.0002","12.1225","0.0002","109.5","0.001","109.517","0.001","94.035","0.001","979.96","0.03","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F4 N4 O6 -","- C46 H38 F4 N4 O6 -","- C46 H38 F4 N4 O6 -","1","0.5","","Yan, Dongpeng; Patel, Bhavnita; Delori, Amit; Jones, William; Duan, Xue","The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole","Crystal Growth & Design","2013","13","1","333","","10.1021/cg3014927","","","0.71073","MoKα","","0.0836","0.0481","","","0.103","0.1176","","","","","","1.031","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507296","8.1916","0.0001","23.5372","0.0005","12.5644","0.0003","90","","104.577","0.001","90","","2344.53","0.08","180","2","180","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 Br F4 N2 O2 -","- C28 H17 Br F4 N2 O2 -","- C112 H68 Br4 F16 N8 O8 -","4","1","","Yan, Dongpeng; Patel, Bhavnita; Delori, Amit; Jones, William; Duan, Xue","The Formation of Hydrogen-Bond Facilitated Salts with Tunable Optical Properties: An Experimental and Theoretical Study of 2,4,5-Triphenylimidazole","Crystal Growth & Design","2013","13","1","333","","10.1021/cg3014927","","","0.71073","MoKα","","0.068","0.0512","","","0.1049","0.1146","","","","","","1.022","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507297","11.1677","0.0005","9.9851","0.0005","6.3098","0.0003","90","","90","","90","","703.61","0.06","10","","10","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507298","11.2854","0.0006","10.0394","0.0005","6.3627","0.0004","90","","90","","90","","720.89","0.07","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.537","Neutron","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507299","11.5494","0.0009","10.1825","0.0007","6.4002","0.0005","90","","90","","90","","752.67","0.1","296","","296","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C2 Cl6 -","- C2 Cl6 -","- C8 Cl24 -","4","0.5","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179608","2020-10-21","18:00:00",""
"4507300","17.9835","0.0021","10.3642","0.0011","6.3014","0.0008","90","","94.41","0.005","90","","1171","0.2","323","","323","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- C2 Cl6 -","- C2 Cl6 -","- C12 Cl36 -","6","0.75","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507301","6.305","0.004","10.177","0.012","8.714","0.007","90","","90","","90","","559.1","0.9","120","","120","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C2 Cl2 F4 -","- C2.02 Cl2.08 F4.04 -","- C8.08 Cl8.32 F16.16 -","4","","","Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise","Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl","Crystal Growth & Design","2013","13","2","782","","10.1021/cg301498f","","neutron","2.398","Neutron","","","","","","","","","","","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507302","19.31","0.02","8.558","0.011","27.25","0.04","90","","108.28","0.03","90","","4276","9","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Mn N5 O8 -","- C34 H21 Mn N5 O8 -","- C136 H84 Mn4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1086","0.0677","","","0.1289","0.1455","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507303","19.282","0.009","8.542","0.004","27.116","0.013","90","","108.45","0.01","90","","4237","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Fe N5 O8 -","- C34 H21 Fe N5 O8 -","- C136 H84 Fe4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.065","0.0445","","","0.1091","0.1198","","","","","","0.999","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507304","19.002","","8.39","","26.833","","90","","108.73","","90","","4051.35","","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Co N5 O8 -","- C34 H21 Co N5 O8 -","- C136 H84 Co4 N20 O32 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1124","0.0673","","","0.094","0.1043","","","","","","0.895","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507305","19.392","0.009","8.516","0.004","27.144","0.012","90","","109.504","0.01","90","","4225","3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 N5 O8 Zn -","- C34 H21 N5 O8 Zn -","- C136 H84 N20 O32 Zn4 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0887","0.0655","","","0.1872","0.2255","","","","","","0.998","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507306","14.787","0.007","15.571","0.007","16.424","0.007","92.379","0.008","109.668","0.007","110.955","0.008","3269","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Mn2 N10 O8 -","- C52 H32 Mn2 N10 O8 -","- C104 H64 Mn4 N20 O16 -","2","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0931","0.0673","","","0.0747","0.0966","","","","","","1","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507307","11.36","0.003","11.799","0.004","16.35","0.005","74.017","0.006","82.914","0.006","63.634","0.006","1887.6","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H29 N2 O19 Zn3 -","- C40 H29 N2 O19 Zn3 -","- C80 H58 N4 O38 Zn6 -","2","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1037","0.0673","","","0.1307","0.1523","","","","","","0.998","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507308","9.354","0.004","14.614","0.007","19.726","0.009","90","","94.889","0.008","90","","2687","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Cu N4 O5 -","- C28 H23 Cu N4 O5 -","- C112 H92 Cu4 N16 O20 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.1001","0.0682","","","0.152","0.1635","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507309","37.92","0.03","7.642","0.005","23.501","0.015","90","","117.734","0.008","90","","6028","7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H22 Co N4 O10 -","- C35 H22 Co N4 O10 -","- C280 H176 Co8 N32 O80 -","8","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0812","0.0649","","","0.1848","0.2055","","","","","","1.004","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507310","19.308","0.004","14.196","0.003","20.379","0.004","90","","103.15","0.004","90","","5439.3","1.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H49 N10 Ni2 O12 -","- C61 H49 N10 Ni2 O12 -","- C244 H196 N40 Ni8 O48 -","4","1","","Zhang, Xiutang; Fan, Liming; Sun, Zhong; Zhang, Wei; Li, Dacheng; Dou, Jianmin; Han, Lei","Syntheses, Structures, and Properties of a Series of Multidimensional Metal‒Organic Polymers Based on 3,3′,5,5′-Biphenyltetracarboxylic Acid and N-Donor Ancillary Ligands","Crystal Growth & Design","2013","13","2","792","","10.1021/cg301502u","","","0.71073","MoKα","","0.0888","0.0553","","","0.1372","0.1574","","","","","","1.001","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507311","7.31853","0.00019","8.2536","0.0002","11.7148","0.0003","100.472","0.0012","90.2335","0.0017","90.9844","0.0017","695.72","0.03","298","","298","","","","","","","","","3","P -1","-P 1","2","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","2","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","5.227","","","","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507312","25.685","0.003","4.9273","0.0005","11.2508","0.0012","90","","106.234","0.002","90","","1367.1","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C56 H48 O40 -","8","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","","","0.71073","MoKα","","0.0471","0.0356","","","0.0923","0.0953","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507313","5.2303","0.0001","5.26495","0.00012","24.7927","0.0004","90","","102.112","0.0017","90","","667.53","0.02","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","2.065","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507314","7.60719","0.00009","3.64133","0.00004","26.7915","0.0004","90","","98.4212","0.0011","90","","734.131","0.016","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","gallic acid","3,4,5-trihydroxybenzoic acid","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Florence, Alastair J.; Tocher, Derek A.; Price, Sarah L.","Complex Polymorphic System of Gallic Acid-Five Monohydrates, Three Anhydrates, and over 20 Solvates.","Crystal growth & design","2013","13","1","19","23","10.1021/cg301506x","powder diffraction","","1.54056","CuKα","","","","","","","","","","4.298","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507315","13.057","0.004","14.628","0.004","8.306","0.002","90","","108.295","0.004","90","","1506.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 O S -","- C16 H22 N2 O S -","- C64 H88 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0461","0.0357","","","0.089","0.0938","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507316","9.6555","0.0006","13.1733","0.0009","12.7112","0.0008","90","","110.132","0.001","90","","1518.02","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O S -","- C16 H20 N2 O S -","- C64 H80 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0434","0.0365","","","0.0976","0.1016","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507317","13","0.003","15.17","0.003","7.7773","0.0016","90","","104.832","0.003","90","","1482.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Br N2 S -","- C15 H19 Br N2 S -","- C60 H76 Br4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0398","0.028","","","0.0664","0.0692","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507318","12.855","0.006","14.961","0.007","7.931","0.004","90","","103.716","0.008","90","","1481.8","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N2 S -","- C16 H22 N2 S -","- C64 H88 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0717","0.0509","","","0.1397","0.1517","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507319","19.395","0.003","6.1309","0.001","27.533","0.004","90","","90","","90","","3273.9","0.9","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H24 N2 S -","- C17 H24 N2 S -","- C136 H192 N16 S8 -","8","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0464","","","0.1222","0.1357","","","","","","1.03","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507320","12.7995","0.0007","15.1263","0.0009","7.9069","0.0005","90","","104.423","0.001","90","","1482.6","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl N2 S -","- C15 H19 Cl N2 S -","- C60 H76 Cl4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.045","0.0365","","","0.0943","0.0988","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507321","13.064","0.003","9.3997","0.0019","13.724","0.003","90","","113.821","0.003","90","","1541.7","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl N2 S -","- C16 H21 Cl N2 S -","- C64 H84 Cl4 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0483","0.0356","","","0.0846","0.0891","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507322","10.611","0.005","7.779","0.003","19.234","0.008","90","","101.253","0.006","90","","1557.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H22 N2 O S -","- C17 H22 N2 O S -","- C68 H88 N8 O4 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0721","0.0534","","","0.1366","0.1457","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507323","6.235","0.003","19.286","0.008","11.982","0.005","90","","96.517","0.007","90","","1431.5","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 S -","- C15 H20 N2 S -","- C60 H80 N8 S4 -","4","1","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0919","0.0609","","","0.165","0.1813","","","","","","1.018","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507324","7.787","0.003","13.595","0.005","15.382","0.005","106.408","0.006","90.357","0.006","93.635","0.006","1558.4","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 F3 N2 S -","- C16 H19 F3 N2 S -","- C64 H76 F12 N8 S4 -","4","2","","Perlovich, German L.; Proshin, Alexey N.; Ol’khovich, Marina V.; Sharapova, Angelica V.; Lermontov, Anatoly S.","Novel Spiro-Derivatives of 1,3-Thiazine Molecular Crystals: Structural and Thermodynamic Aspects","Crystal Growth & Design","2013","13","2","804","","10.1021/cg301511x","","","0.71073","MoKα","","0.0901","0.0574","","","0.1369","0.1486","","","","","","1.019","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507325","9.4109","0.0002","18.8592","0.0003","20.2575","0.0004","90","","90","","90","","3595.34","0.12","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H20 I4.14 N2 S9.72 -","- C28 H20 I4.1374 N2 S9.7168 -","- C112 H80 I16.5496 N8 S38.8672 -","4","0.5","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0504","0.0317","","","0.0589","0.0631","","","","","","1.032","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507326","9.58","0.0003","18.999","0.0006","19.0798","0.0006","90","","90","","90","","3472.72","0.19","20","1","20","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 I3 N S2 -","- C14 H10 I3 N S2 -","- C112 H80 I24 N8 S16 -","8","1","","Sugimoto, Kunihisa; Uemachi, Hiroshi; Maekawa, Masahiko; Fujiwara, Akihiko","Air-Stable Cyclohexasulfur as Cocrystal","Crystal Growth & Design","2013","13","2","433","","10.1021/cg301526f","","","0.35685","synchrotron","","0.0376","0.0305","","","0.0739","0.077","","","","","","1.084","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507327","8.5388","0.0005","20.0776","0.0014","20.86","0.0008","73.33","0.005","88.861","0.004","79.034","0.005","3361.1","0.3","123.01","0.1","123.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl2 N8 O4 -","- C35 H38 Cl2 N8 O4 -","- C140 H152 Cl8 N32 O16 -","4","2","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0877","0.0665","","","0.1722","0.1913","","","","","","1.021","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507328","8.6126","0.0005","20.1032","0.0013","21.1211","0.0015","73.297","0.006","89.003","0.005","79.571","0.005","3442.4","0.4","273","0.1","273","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38 Cl2 N8 O4 -","- C35 H38 Cl2 N8 O4 -","- C140 H152 Cl8 N32 O16 -","4","2","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.093","0.0648","","","0.1668","0.1896","","","","","","1.011","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507329","30.181","0.003","5.714","0.0006","21.6818","0.0018","90","","105.111","0.01","90","","3609.8","0.6","123.01","0.1","123.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N8 O6 -","- C37 H41 Cl2 N8 O6 -","- C148 H164 Cl8 N32 O24 -","4","1","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0752","0.0612","","","0.1491","0.1611","","","","","","1.02","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507330","30.2048","0.001","5.7706","0.0002","21.9711","0.001","90","","104.37","0.004","90","","3709.7","0.3","273","1","273","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H41 Cl2 N8 O6 -","- C37 H41 Cl2 N8 O6 -","- C148 H164 Cl8 N32 O24 -","4","1","","Nonappa,; Lahtinen, Manu; Kolehmainen, Erkki; Haarala, Jorma; Shevchenko, Anna","Evidence of Weak Halogen Bonding: New Insights on Itraconazole and its Succinic Acid Cocrystal","Crystal Growth & Design","2013","13","1","346","","10.1021/cg3015282","","","1.5418","CuKα","","0.0964","0.0579","","","0.1445","0.1815","","","","","","1.017","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507331","5.418","0.003","8.764","0.005","23.315","0.013","90","","91.321","0.011","90","","1106.8","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O6 -","- C24 H22 N4 O6 -","- C48 H44 N8 O12 -","2","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.1196","0.0967","","","0.1971","0.21","","","","","","1.248","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507332","8.191","0.003","10.755","0.003","11.897","0.004","74","0.006","84.991","0.006","76.519","0.006","979.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H38 N8 O6 -","- C44 H38 N8 O6 -","- C44 H38 N8 O6 -","1","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.1262","0.1021","","","0.2043","0.2167","","","","","","1.232","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507333","13.3978","0.0019","12.5471","0.0017","13.8797","0.0019","90","","90","","90","","2333.2","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H13 N3 O3 -","- C12 H13 N3 O3 -","- C96 H104 N24 O24 -","8","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0714","0.0638","","","0.128","0.1315","","","","","","1.256","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507334","12.951","0.004","5.1138","0.0015","17.068","0.005","90","","90","","90","","1130.4","0.6","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H12 N2 O4 -","- C12 H12 N2 O4 -","- C48 H48 N8 O16 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0788","0.072","","","0.1507","0.1531","","","","","","1.291","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507335","7.949","0.003","11.747","0.004","12.875","0.005","90","","103.417","0.006","90","","1169.4","0.7","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N4 O6 -","- C26 H26 N4 O6 -","- C52 H52 N8 O12 -","2","0.5","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0869","0.0572","","","0.1567","0.1719","","","","","","1.043","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507336","11.196","0.003","8.041","0.002","19.179","0.006","90","","96.644","0.006","90","","1715","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O3 -","- C19 H19 N3 O3 -","- C76 H76 N12 O12 -","4","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.131","0.0848","","","0.1865","0.2105","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507337","6.2977","0.001","9.1148","0.0015","15.243","0.003","72.801","0.003","84.1","0.003","77.889","0.003","816.5","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Goswami, Pramod Kumar; Thaimattam, Ram; Ramanan, Arunachalam","Multiple Crystal Forms ofp-Aminosalicylic Acid: Salts, Salt Co-Crystal Hydrate, Co-Crystals, and Co-Crystal Polymorphs","Crystal Growth & Design","2013","13","1","360","","10.1021/cg3015332","","","0.71073","MoKα","","0.0416","0.0363","","","0.0976","0.1016","","","","","","1.047","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507338","20.019","0.003","20.019","0.003","18.861","0.004","90","","90","","90","","7559","2","293","2","293","2","","","","","","","","7","P -4 n 2","P -4 -2n","118","","","","- C48 H62 Cl0 Mn22 N60 Na0 O79 -","- C48 H54 Mn22 N60 O79 -","- C96 H108 Mn44 N120 O158 -","2","0.25","","Zhao, Jiong-Peng; Zhao, Ran; Song, Wei-Chao; Yang, Qian; Liu, Fu-Chen; Bu, Xian-He","Azido-Directed Formation of An Unprecedented Mn(II)-Organic Framework with Nanoscale Cubic Cage Units","Crystal Growth & Design","2013","13","2","437","","10.1021/cg3015354","","","0.71073","MoKα","","0.0893","0.0759","","","0.1683","0.1748","","","","","","1.138","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507339","9.934","0.007","12.513","0.008","8.645","0.006","90","","90","","90","","1074.6","1.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 Co N O5 P -","- C9 H10 Co N O5 P -","- C36 H40 Co4 N4 O20 P4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0351","0.0334","","","0.0814","0.0828","","","","","","1.056","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507340","9.927","0.003","12.485","0.003","8.629","0.002","90","","90","","90","","1069.5","0.5","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C9 H10 N O5 P Zn -","- C9 H10 N O5 P Zn -","- C36 H40 N4 O20 P4 Zn4 -","4","1","","Zhou, Tian-Hua; He, Zhang-Zhen; Xu, Xiang; Qian, Xiang-Ying; Mao, Jiang-Gao","Ligand Geometry Directed Polar Cobalt(II) Phosphonate Displaying Weak Ferromagnetism","Crystal Growth & Design","2013","13","2","838","","10.1021/cg301542n","","","0.71073","MoKα","","0.0205","0.0196","","","0.0427","0.043","","","","","","0.955","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507341","13.1738","0.0008","24.5677","0.0011","13.2235","0.0007","90","","100.718","0.003","90","","4205.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Er2 F24 N6 O17 Yb2 -","- C74 H40 Er2 F24 N6 O18 Yb2 -","- C148 H80 Er4 F48 N12 O36 Yb4 -","2","0.5","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0421","0.0379","","","0.102","0.107","","","","","","1.059","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507342","12.969","0.004","24.709","0.003","13.227","0.003","90","","101.432","0.01","90","","4154.5","1.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C74 H44 Er2 F24 N6 O17 Yb2 -","- C74 H40 Er2 F24 N6 O18 Yb2 -","- C148 H80 Er4 F48 N12 O36 Yb4 -","2","0.5","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0751","0.0562","","","0.1514","0.1924","","","","","","1.072","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507343","24.8037","0.0006","24.8037","0.0006","42.7922","0.0019","90","","90","","120","","22799.7","1.3","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C123 H135 Cl0 Eu F36 N9 O33 Tb3 -","- C87 H45 Eu F36 N9 O30 Tb3 -","- C522 H270 Eu6 F216 N54 O180 Tb18 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.066","0.0598","","","0.1717","0.1815","","","","","","1.089","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507344","24.8541","0.0007","24.8541","0.0007","42.446","0.004","90","","90","","120","","22707","2","293","2","293","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C105 H87 Cl0 Eu3 F36 N9 O30 Tb -","- C87 H45 Eu3 F36 N9 O30 Tb -","- C522 H270 Eu18 F216 N54 O180 Tb6 -","6","0.333333","","Xu, Hai-Bing; Deng, Jian-Guo; Zhang, Li-Yi; Chen, Zhong-Ning","Structural and Photophysical Studies on Geometric (Er2Yb2/Yb2Er2) and Configurational (EuTb3/Eu3Tb) Isomers of Heterotetranuclear Lanthanide(III) Complexes","Crystal Growth & Design","2013","13","2","849","","10.1021/cg3015546","","","0.71073","MoKα","","0.0607","0.0515","","","0.1382","0.1485","","","","","","1.061","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507345","9.5973","0.0006","11.94","0.0006","12.7279","0.0006","99.038","0.004","95.006","0.004","90.24","0.004","1434.67","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","LTG-AceticAcid","","","- C11 H11 Cl2 N5 O2 -","- C11 H11 Cl2 N5 O2 -","- C44 H44 Cl8 N20 O8 -","4","2","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1223","0.0555","","","0.1393","0.1774","","","","","","0.976","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507346","18.6293","0.0004","18.6293","0.0004","17.6086","0.0005","90","","90","","90","","6111.1","0.3","120","2","120","2","","","","","","","see text","5","I 41/a :2","-I 4ad","88","","","","- C12 H13 Cl2 N5 O2 -","- C12 H13 Cl2 N5 O2 -","- C192 H208 Cl32 N80 O32 -","16","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","x-ray","0.71073","MoKα","","0.0786","0.0508","","","0.1374","0.1521","","","","","","1.173","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507347","9.308","0.002","11.356","0.003","32.107","0.008","90","","96.093","0.004","90","","3374.6","1.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LTG-SorbicAcid","","","- C30 H30 Cl4 N10 O4 -","- C30 H30 Cl4 N10 O4 -","- C120 H120 Cl16 N40 O16 -","4","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1324","0.0683","","","0.1626","0.1987","","","","","","1.044","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507348","8.862","0.0006","16.8932","0.0011","22.8226","0.0012","90","","90.17","0.011","90","","3416.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","LTG-GlutaricAcid","","","- C27 H34 Cl4 N10 O6 -","- C27 H32 Cl4 N10 O6 -","- C108 H128 Cl16 N40 O24 -","4","1","","Chadha, Renu; Saini, Anupam; Khullar, Sadhika; Jain, Dharamvir Singh; Mandal, Sanjay K.; Guru Row, T. N.","Crystal Structures and Physicochemical Properties of Four New Lamotrigine Multicomponent Forms","Crystal Growth & Design","2013","13","2","858","","10.1021/cg301556j","","","0.71073","MoKα","","0.1213","0.0695","","","0.1844","0.2042","","","","","","0.918","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507349","15.4496","0.0009","6.9102","0.0004","12.9227","0.0007","90","","102.908","0.006","90","","1344.76","0.14","291","2","291.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 Br Ca N2 O6 -","- C11 H9 Br Ca N2 O6 -","- C44 H36 Br4 Ca4 N8 O24 -","4","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.7107","MoKα","","0.0622","0.0431","","","0.0898","0.1008","","","","","","1.025","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507350","14.8833","0.0017","6.6486","0.0008","12.8054","0.0015","90","","103.052","0.001","90","","1234.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 Br N2 O5 Sr -","- C11 H7 Br N2 O5 Sr -","- C44 H28 Br4 N8 O20 Sr4 -","4","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0454","0.0319","","","0.08","0.0873","","","","","","0.876","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507351","12.8977","0.0007","8.1974","0.0003","11.2059","0.0004","90","","90","","90","","1184.77","0.09","291","2","291","2","","","","","","","","6","A m a 2","A 2 -2a","40","","","","- C11 H6 Br N2 O5 Zn -","- C11 H6 Br N2 O5 Zn -","- C44 H24 Br4 N8 O20 Zn4 -","4","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0328","0.0297","","","0.0787","0.084","","","","","","0.626","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507352","9.8824","0.0015","13.76","0.002","9.9776","0.0014","90","","113.223","0.002","90","","1246.8","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 Co N4 O10 S0 -","- C22 H16 Br2 Co N4 O10 -","- C44 H32 Br4 Co2 N8 O20 -","2","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.034","0.0285","","","0.0736","0.0759","","","","","","1.102","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507353","8.7083","0.0007","10.166","0.0007","14.8129","0.0011","74.995","0.001","89.915","0.001","72.97","0.001","1207.18","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 Br2 Cd1.5 N4 O9 -","- C22 H13 Br2 Cd1.5 N4 O9 -","- C44 H26 Br4 Cd3 N8 O18 -","2","1","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.0343","0.0295","","","0.0729","0.0747","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507354","21.9976","0.0006","21.9976","0.0006","16.5598","0.0009","90","","90","","90","","8013.2","0.5","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H16 Br2 Cd2 N6 O12 -","- C32 H16 Br2 Cd2 N6 O12 -","- C256 H128 Br16 Cd16 N48 O96 -","8","0.5","","Zhang, Yu; Guo, Beibei; Li, Li; Liu, Shaofeng; Li, Gang","Construction and Properties of Six Metal‒Organic Frameworks Based on the Newly Designed 2-(p-Bromophenyl)-Imidazole Dicarboxylate Ligand","Crystal Growth & Design","2013","13","1","367","","10.1021/cg301570p","","","0.71073","MoKα","","0.047","0.0338","","","0.0911","0.094","","","","","","1.034","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507355","19.266","0.014","8.553","0.006","27.325","0.019","90","","108.189","0.016","90","","4278","5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H21 Cd N5 O8 -","- C34 H21 Cd N5 O8 -","- C136 H84 Cd4 N20 O32 -","4","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0688","0.0491","","","0.1103","0.1177","","","","","","0.97","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507356","9.814","0.003","10.86","0.003","12.606","0.004","105.473","0.003","102.426","0.003","91.537","0.003","1259.4","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cd N5 O6 -","- C26 H20 Cd N5 O6 -","- C52 H40 Cd2 N10 O12 -","2","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0364","0.0302","","","0.0628","0.0645","","","","","","1.018","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507357","16.328","0.004","6.9755","0.0017","27.246","0.006","90","","101.76","0.004","90","","3038.1","1.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd2 N6 O8 -","- C32 H22 Cd2 N6 O8 -","- C128 H88 Cd8 N24 O32 -","4","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0591","0.0382","","","0.0732","0.0809","","","","","","1.02","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507358","10.4459","0.0008","12.1007","0.001","12.5575","0.001","111.294","0.001","112.198","0.001","99.455","0.001","1282.99","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H20 Cd N6 O4 -","- C31 H20 Cd N6 O4 -","- C62 H40 Cd2 N12 O8 -","2","1","","Sun, Di; Han, Lu-Lu; Yuan, Shuai; Deng, Yong-Kai; Xu, Meng-Zhen; Sun, Dao-Feng","Four New Cd(II) Coordination Polymers with Mixed Multidentate N-Donors and Biphenyl-Based Polycarboxylate Ligands: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","1","377","","10.1021/cg301573c","","","0.71073","MoKα","","0.0618","0.0563","","","0.1751","0.1847","","","","","","1.144","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507359","22.683","0.0007","21.3607","0.0005","17.894","0.0008","90","","105.138","0.003","90","","8369.2","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H100 N22 O21 -","- C71 H100 N22 O21 -","- C284 H400 N88 O84 -","4","0.5","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1107","0.0624","","","0.1779","0.2082","","","","","","1.194","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507360","12.8426","0.0011","14.3533","0.0012","14.6146","0.0012","90.561","0.004","103.049","0.007","95.773","0.002","2609.6","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H68 N11 O11 -","- C47 H68 N11 O11 -","- C94 H136 N22 O22 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1177","0.0549","","","0.1367","0.1546","","","","","","0.99","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507361","17.0817","0.0009","17.6519","0.0009","19.7271","0.001","70.11","0.002","80.692","0.002","65.396","0.002","5084.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H132 N22 O22 P -","- C86 H132 N22 O22 P -","- C172 H264 N44 O44 P2 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.2423","0.0742","","","0.1678","0.2348","","","","","","0.953","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507362","10.9","0.0003","20.4538","0.0004","24.2322","0.0005","110.061","0.001","94.7009","0.0013","98.6721","0.0012","4964.4","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C87 H144 N13 O19 -","- C87 H144 N13 O19 -","- C174 H288 N26 O38 -","2","1","","Chutia, Romen; Dey, Sandeep Kumar; Das, Gopal","Positional Isomeric Effect in Nitrophenyl Functionalized Tripodal Urea Receptors toward Binding and Encapsulation of Anions","Crystal Growth & Design","2013","13","2","883","","10.1021/cg3015749","","","0.71073","MoKα","","0.1079","0.084","","","0.1766","0.2143","","","","","","1.012","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507363","21.2737","0.0014","21.2737","0.0014","30.086","0.002","90","","90","","90","","13616","1.6","","","","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C56 H44 Cu3 N6 O16 -","- C56 H44 Cu3 N6 O16 -","- C224 H176 Cu12 N24 O64 -","4","0.5","","Yun, Ruirui; Duan, Jingui; Bai, Junfeng; Li, Yizhi","Fusing High Symmetric Coordination Polyhedrons of Cu6(PIP)4, Cu12(PIP)8, and Cu12(PIP)24into an Unprecedented Porous MOF: Synthesis, Structure, and Its Remarkable CO2Selectivity","Crystal Growth & Design","2013","13","1","24","","10.1021/cg301577a","","","","","","0.136","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507364","15.8964","0.0006","15.8964","0.0006","17.0316","0.0012","90","","90","","90","","4303.8","0.4","273","2","273","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C26 H15 Co N3 O6 -","- C26 H15 Co N3 O6 -","- C208 H120 Co8 N24 O48 -","8","1","","Yang, Qingxiang; Huang, Liangfang; Zhang, Mingdao; Li, Yizhi,; Zheng, Hegen; Lu, Qingyi","An Unprecedented Homochiral Metal‒Organic Framework Based on Achiral Nanosized Pyridine and V-Shaped Polycarboxylate Acid Ligand","Crystal Growth & Design","2013","13","2","440","","10.1021/cg301600x","","","0.71073","MoKα","","0.0496","0.0399","","","0.0807","0.0824","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507365","14.2986","0.0005","13.6054","0.0005","9.8965","0.0002","90","","123.152","0.0016","90","","1611.86","0.09","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H21 N2 O5 -","- C15 H21 N2 O5 -","- C60 H84 N8 O20 -","4","1","","Seber, Gonca; Freitas, Rafael S.; Oliveira, Nei Fernandes; Lahti, Paul M.","Crystal Packing and Magnetism in Phenolic Nitronylnitroxides: 2-(3′,5′-Dimethoxy-4′-hydroxyphenyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl","Crystal Growth & Design","2013","13","2","893","","10.1021/cg301601c","","","0.71073","MoKα","","0.0368","0.0347","","","0.0916","0.0937","","","","","","1.058","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507366","10.3251","0.0003","15.459","0.0004","17.7519","0.0005","69.964","0.002","86.592","0.002","78.556","0.002","2608.96","0.13","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H79 N5 O15 -","- C41 H79 N5 O15 -","- C82 H158 N10 O30 -","2","1","","Yan, Yuncheng; Hughes, Colan E.; Kariuki, Benson M.; Harris, Kenneth D. M.","A Rare Case of Polymorphism in a Three-Component Co-Crystal System, with Each Polymorph Having Ten Independent Molecules in the Asymmetric Unit","Crystal Growth & Design","2013","13","1","27","","10.1021/cg3016035","","","0.71073","MoKα","","0.0639","0.0488","","","0.1144","0.1229","","","","","","1.045","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507367","10.2893","0.0002","15.5312","0.0002","17.6113","0.0003","92.396","0.001","106.233","0.001","100.984","0.001","2639.14","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H79 N5 O15 -","- C41 H79 N5 O15 -","- C82 H158 N10 O30 -","2","1","","Yan, Yuncheng; Hughes, Colan E.; Kariuki, Benson M.; Harris, Kenneth D. M.","A Rare Case of Polymorphism in a Three-Component Co-Crystal System, with Each Polymorph Having Ten Independent Molecules in the Asymmetric Unit","Crystal Growth & Design","2013","13","1","27","","10.1021/cg3016035","","","0.71073","MoKα","","0.074","0.0539","","","0.1293","0.1425","","","","","","1.016","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507368","9.6731","0.0008","5.3414","0.0005","15.4107","0.001","90","","121.766","0.004","90","","676.97","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cu N4 O6 V2 -","- C8 H12 Cu N4 O6 V2 -","- C16 H24 Cu2 N8 O12 V4 -","2","0.5","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.03","0.0263","","","0.0753","0.0769","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507369","11.4692","0.0002","11.9788","0.0002","18.2487","0.0003","90","","123.049","0.001","90","","2101.49","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 F4 Mo N6 O2 Zn -","- C15 H18 F4 Mo N6 O2 Zn -","- C60 H72 F16 Mo4 N24 O8 Zn4 -","4","1","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0546","0.0317","","","0.066","0.0738","","","","","","1.023","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507370","12.3189","0.0001","12.3189","0.0001","8.2962","0.0001","90","","90","","90","","1258.99","0.02","293","2","293","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C20 H24 Cu F6 N8 Ti -","- C20 H24 Cu F6 N8 Ti -","- C40 H48 Cu2 F12 N16 Ti2 -","2","0.25","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0504","0.0353","","","0.1122","0.1235","","","","","","1.075","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507371","10.1096","0.0005","10.1096","0.0005","15.8515","0.0016","90","","90","","90","","1620.1","0.2","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C18 H26 Cu F12 N12 Ti2 -","- C18.24 H26.4 Cu F12 N12.16 Ti2 -","- C36.48 H52.8 Cu2 F24 N24.32 Ti4 -","2","0.0625","","Tong, Yi-Ping; Luo, Guo-Tian; Zhen, Jin; Shen, You; Liu, Hui-Ru","Structure-Directing Self-Assembly, Structures and Characterization of Four d0-Transition Metal Oxide/Fluoride Compounds Constructed with Imidazole/1-Methylimidazole/1-Vinylimidazole and Copper(II)/Zinc(II)","Crystal Growth & Design","2013","13","2","446","","10.1021/cg301612g","","","0.71073","MoKα","","0.0484","0.0434","","","0.1269","0.1334","","","","","","1.147","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507372","8.1754","0.0016","9.3313","0.0019","13.893","0.003","78.35","0.03","83.15","0.03","76.44","0.03","1006.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Cu Mo4 N8 O13 -","- C40 H28 Cu Mo4 N8 O13 -","- C40 H28 Cu Mo4 N8 O13 -","1","0.5","","Chen, Yong-Qiang; Li, Guo-Rong; Qu, Yang-Kun; Zhang, Ying-Hui; He, Kun-Huan; Gao, Qiang; Bu, Xian-He","Water-Insoluble Heterometal-Oxide-Based Photocatalysts Effective for the Photo-Decomposition of Methyl Orange","Crystal Growth & Design","2013","13","2","901","","10.1021/cg3016244","","","0.71073","MoKα","","0.0659","0.0468","","","0.0964","0.1022","","","","","","1.067","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507373","8.1234","0.0016","8.9511","0.0018","14.02","0.003","79.16","0.03","84.09","0.03","78.23","0.03","978","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H28 Mo4 N8 Ni O13 -","- C40 H28 Mo4 N8 Ni O13 -","- C40 H28 Mo4 N8 Ni O13 -","1","0.5","","Chen, Yong-Qiang; Li, Guo-Rong; Qu, Yang-Kun; Zhang, Ying-Hui; He, Kun-Huan; Gao, Qiang; Bu, Xian-He","Water-Insoluble Heterometal-Oxide-Based Photocatalysts Effective for the Photo-Decomposition of Methyl Orange","Crystal Growth & Design","2013","13","2","901","","10.1021/cg3016244","","","0.71073","MoKα","","0.1596","0.1131","","","0.2664","0.2963","","","","","","1.07","","","","has coordinates,has disorder","179609","2020-10-21","18:00:00",""
"4507374","18.172","0.005","52.375","0.01","5.698","0.005","90","","90","","90","","5423","5","293","2","293","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C240 H240 N16 O32 S16 -","16","1","","Mahieux, Julien; Sanselme, Morgane; Coquerel, Gerard","Access to Single Crystals of (±)-Form IV of Modafinil by Crystallization in Gels. Comparisons between (±)-Forms I, III, and IV and (−)-Form I","Crystal Growth & Design","2013","13","2","908","","10.1021/cg301630d","","x-ray","0.71073","MoKα","","0.0413","0.0388","","","0.0969","0.0988","","","","","","1.048","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507375","24.3687","0.0014","24.3687","0.0014","47.322","0.006","90","","90","","90","","28101","4","293","2","293","2","","","","","","","","9","P 41 21 2","P 4abw 2nw","92","","","","- C62 H184 Ag8 Cl La N12 Ni6 O61 S12 -","- C62 H87 Ag8 Cl La N12 Ni6 O30 S12 -","- C496 H696 Ag64 Cl8 La8 N96 Ni48 O240 S96 -","8","1","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0631","0.0468","","","0.1024","0.1084","","","","","","0.981","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507376","10.1695","0.0009","10.1695","0.0009","41.686","0.007","90","","90","","120","","3733.5","0.8","293","2","293","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H64 Ag3 Co2 La N6 O17 S6 -","- C30 H54 Ag3 Co2 La N6 O17 S6 -","- C90 H162 Ag9 Co6 La3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0714","0.0477","","","0.101","0.1107","","","","","","1.039","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507377","10.1532","0.0008","10.1532","0.0008","41.538","0.006","90","","90","","120","","3708.4","0.7","296","2","296","2","","","","","","","","8","P 32 2 1","P 32 2""","154","","","","- C30 H66 Ag3 Co2 Eu N6 O16 S6 -","- C30 H54 Ag3 Co2 Eu N6 O17 S6 -","- C90 H162 Ag9 Co6 Eu3 N18 O51 S18 -","3","0.5","","Li, Zhong-Yi; Huang, He-Qing; Xu, Long; Liu, Rui-Bin; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","3d‒4d‒4f Heterotrimetallic 3D Chiral Frameworks Based on Octahedral {Ni6Ag8S12Cl} or Trigonal Dipyramidal {Co2Ag3S6} Clusters: Synthesis, Crystal Structures, and Characterization","Crystal Growth & Design","2013","13","2","918","","10.1021/cg301649p","","","0.71073","MoKα","","0.0949","0.0588","","","0.139","0.1595","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507378","16.239","0.005","9.884","0.004","7.574","0.003","90","","100.516","0.005","90","","1195.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N7-(carboxymethylguanine)+K","","","- C7 H12 K N5 O6 -","- C7 H12 K N5 O6 -","- C28 H48 K4 N20 O24 -","4","1","","Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep","Ion Channel-like Crystallographic Signatures in Modified Guanine‒Potassium/Sodium Interactions","Crystal Growth & Design","2013","13","2","455","","10.1021/cg3016518","","","0.71069","MoKα","","0.0796","0.0539","","","0.1347","0.2098","","","","","","1.208","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507379","17.936","0.007","9.59","0.003","14.73","0.005","90","","104.7","0.011","90","","2450.7","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N9-(carboxymethylguanine)+K","","","- C14 H30 K N10 O15 -","- C14 H30 K N10 O15 -","- C56 H120 K4 N40 O60 -","4","0.5","","Nagapradeep, N.; Sharma, Suneeta; Verma, Sandeep","Ion Channel-like Crystallographic Signatures in Modified Guanine‒Potassium/Sodium Interactions","Crystal Growth & Design","2013","13","2","455","","10.1021/cg3016518","","","0.71073","MoKα","","0.0646","0.0476","","","0.1155","0.1306","","","","","","1.07","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507380","15.9397","0.0006","9.6503","0.0004","26.8957","0.0012","90","","90","","90","","4137.2","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H20 N3 O3 -","- C25 H20 N3 O3 -","- C200 H160 N24 O24 -","8","1","","Fernández-Mato, Antonio; García, Marcos D.; Peinador, Carlos; Quintela, José M.; Sánchez-Andújar, Manuel; Pato-Doldán, Breogán; Señarís-Rodríguez, M. Antonia; Tordera, Daniel; Bolink, Henk J.","Polymorphism-Triggered Reversible Thermochromic Fluorescence of a Simple 1,8-Naphthyridine","Crystal Growth & Design","2013","13","2","460","","10.1021/cg301656x","","","0.71073","MoKα","","0.0922","0.0504","","","0.1261","0.1664","","","","","","1.089","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507381","10.362","0.0007","8.444","0.0003","22.277","0.0014","90","","117.355","0.002","90","","1731.2","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1008","0.0699","","","0.2034","0.2275","","","","","","1.114","","","","has coordinates","176663","2020-10-21","18:00:00",""
"4507382","10.357","0.002","8.934","0.002","20.857","0.004","90","","114.571","0.004","90","","1755.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H39.976 N2 O4 -","- C88 H79.952 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1259","0.076","","","0.2208","0.2506","","","","","","0.991","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507383","10.33","0.001","9.063","0.001","20.302","0.002","90","","113.699","0.003","90","","1740.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H39.94 N2 O4 -","- C88 H79.88 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0991","0.0637","","","0.1968","0.2157","","","","","","1.073","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507384","10.299","0.014","9.106","0.006","20.111","0.017","90","","113.26","0.04","90","","1733","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0661","0.0405","","","0.1127","0.1235","","","","","","0.986","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507385","10.238","0.008","9.059","0.006","19.82","0.02","90","","112.86","0.04","90","","1694","2","293","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetraphenylhexadiynediol and Dimethylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(1,6-dimethyl-2(1H)-pyridone)","","- C44 H40 N2 O4 -","- C44 H40 N2 O4 -","- C88 H80 N4 O8 -","2","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.08","0.0463","","","0.1212","0.1336","","","","","","0.944","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507386","8.454","0.01","10.833","0.012","11.37","0.02","63.86","0.04","79.73","0.05","68.44","0.03","869","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.988 N2 O4 -","- C42 H35.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0847","0.0455","","","0.1202","0.1388","","","","","","0.988","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507387","8.46","0.02","10.84","0.03","11.35","0.03","64.31","0.11","80.49","0.08","68.68","0.06","874","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.964 N2 O4 -","- C42 H35.964 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0943","0.0513","","","0.1643","0.1822","","","","","","0.814","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507388","8.465","0.02","10.85","0.03","11.36","0.02","64.56","0.1","80.82","0.07","68.92","0.06","879","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H36.012 N2 O4 -","- C42 H36.012 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1003","0.05","","","0.1478","0.1724","","","","","","0.886","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507389","8.475","0.0005","10.853","0.0006","11.36","0.001","64.798","0.003","81.182","0.002","69.185","0.007","883.72","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Tetraphenylhexadiynediol and Methylpyridone","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 6-Methyl-2(1H)-Pyridinone","","- C42 H36 N2 O4 -","- C42 H35.964 N2 O4 -","- C42 H35.964 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1374","0.0545","","","0.14","0.1825","","","","","","0.91","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507390","7.795","0.002","8.071","0.002","13.457","0.003","85.12","0.02","75.7","0.02","81.12","0.02","809.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0816","0.0458","","","0.1105","0.1225","","","","","","1.053","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507391","7.8","0.001","8.081","0.001","13.476","0.002","85.03","0.02","75.62","0.02","81.09","0.02","811.8","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0885","0.0471","","","0.1107","0.1231","","","","","","0.966","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507392","7.787","0.001","8.065","0.001","13.452","0.002","85.02","0.02","75.61","0.02","81.18","0.02","807.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.016 N2 O4 -","- C40 H32.016 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0764","0.0466","","","0.1192","0.1324","","","","","","0.92","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507393","7.78","0.001","8.059","0.001","13.452","0.002","84.98","0.02","75.61","0.02","81.22","0.02","806.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","- C40 H32 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0786","0.0459","","","0.1139","0.1265","","","","","","0.914","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507394","7.775","0.001","8.058","0.001","13.462","0.002","84.97","0.02","75.54","0.02","81.31","0.02","806.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.02 N2 O4 -","- C40 H32.02 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0757","0.0461","","","0.1181","0.1311","","","","","","0.899","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507395","7.769","0.001","8.054","0.001","13.456","0.002","84.98","0.02","75.56","0.02","81.35","0.02","805","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.988 N2 O4 -","- C40 H31.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0844","0.0482","","","0.1223","0.1387","","","","","","0.889","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507396","7.773","0.001","8.057","0.001","13.47","0.002","84.97","0.02","75.51","0.02","81.44","0.02","806.5","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.98 N2 O4 -","- C40 H31.98 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.0911","0.0493","","","0.1221","0.1379","","","","","","0.988","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507397","7.77","0.001","8.055","0.001","13.474","0.002","84.99","0.02","75.45","0.02","81.5","0.02","806.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.98 N2 O4 -","- C40 H31.98 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.083","0.0516","","","0.1331","0.1481","","","","","","0.847","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507398","7.744","0.001","7.992","0.002","13.534","0.003","85.4","0.02","75.41","0.02","82.78","0.02","803.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.008 N2 O4.112 -","- C40 H32.008 N2 O4.112 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1203","0.0635","","","0.1838","0.2161","","","","","","1.009","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507399","7.809","0.001","7.861","0.002","13.539","0.003","87.33","0.02","75.75","0.02","84.88","0.02","802.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.02 N2 O4 -","- C40 H32.02 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1302","0.0649","","","0.1669","0.1919","","","","","","1.005","","","","has coordinates","179609","2020-10-21","18:00:00",""
"4507400","7.743","0.001","7.751","0.002","13.459","0.003","87.69","0.02","76.13","0.02","85.27","0.02","781.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.988 N2 O4 -","- C40 H31.988 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.109","0.0657","","","0.1826","0.2059","","","","","","0.971","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507401","7.74","0.001","7.78","0.002","13.527","0.003","87.86","0.02","76.29","0.02","85.79","0.02","789","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H31.984 N2 O4 -","- C40 H31.984 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1105","0.0542","","","0.1327","0.15","","","","","","0.764","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507402","7.781","0.001","7.803","0.002","13.491","0.003","87.76","0.02","76.74","0.02","86.24","0.02","795.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol : 2(2(1H)-pyridone)","","- C40 H32 N2 O4 -","- C40 H32.004 N2 O4 -","- C40 H32.004 N2 O4 -","1","0.5","","Sreevidya, Thekku Veedu; Cao, Deng-Ke; Lavy, Tali; Botoshansky, Mark; Kaftory, Menahem","Unexpected Molecular Flip in Solid-State Photodimerization","Crystal Growth & Design","2013","13","2","936","","10.1021/cg3016707","","","0.71073","MoKα","","0.1058","0.0556","","","0.1262","0.1383","","","","","","0.837","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507403","6.9563","0.0003","9.5096","0.0006","16.9966","0.0009","86.781","0.004","89.772","0.004","72.069","0.004","1067.95","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H44 N6 O8 -","- C52 H44 N6 O8 -","- C52 H44 N6 O8 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","1.54178","CuKα","","0.0618","0.0465","","","0.1189","0.1269","","","","","","1.049","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507404","7.1066","0.0007","13.1551","0.0012","29.311","0.003","90","","91.769","0.003","90","","2738.9","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 N8 O8 -","- C66 H62 N8 O8 -","- C132 H124 N16 O16 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0791","0.0552","","","0.1381","0.1545","","","","","","1.004","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507405","5.0617","0.0002","13.1465","0.0004","17.59","0.0007","81.733","0.002","81.83","0.002","83.744","0.003","1141.89","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Co N8 O8 -","- C52 H48 Co N8 O8 -","- C52 H48 Co N8 O8 -","1","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0809","0.0548","","","0.1093","0.1191","","","","","","1.079","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507406","18.2876","0.0003","15.78","0.0003","29.0197","0.0005","90","","108.598","0.0012","90","","7937.1","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C178 H140 Cd6 N24 O20 -","- C178 H140 Cd6 N24 O20 -","- C356 H280 Cd12 N48 O40 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0792","0.061","","","0.1593","0.1706","","","","","","1.047","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507407","42.5453","0.0005","15.8928","0.0003","30.3631","0.0005","90","","129.314","0.0009","90","","15884.1","0.5","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 N8 O8 Zn3 -","- C68 H44 N8 O8 Zn3 -","- C544 H352 N64 O64 Zn24 -","8","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.105","0.0743","","","0.1756","0.1872","","","","","","1.056","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507408","15.1307","0.0002","15.7557","0.0003","15.9818","0.0004","92.475","0.0008","117.495","0.0009","115.089","0.0011","2922.24","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C63.98 H49.62 Cd3 N7.66 O10.66 -","- C63.98 H49.62 Cd3 N7.66 O10.66 -","- C127.96 H99.24 Cd6 N15.32 O21.32 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0862","0.0579","","","0.1612","0.1767","","","","","","1.172","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507409","15.1052","0.0005","15.4394","0.0005","16.2932","0.0007","94.0207","0.001","117.553","0.0013","114.11","0.0019","2913.1","0.2","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H49 Cd3 N8 O12 -","- C57 H49 Cd3 N8 O12 -","- C114 H98 Cd6 N16 O24 -","2","1","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.0767","0.0552","","","0.1148","0.1221","","","","","","1.061","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507410","12.4017","0.0006","15.577","0.0013","20.0534","0.0017","90","0.008","104.298","0.006","90","0.003","3753.9","0.5","110","2","110","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C48 H24 Cd3 Cl2 N4 O9 -","- C48 H24 Cd3 Cl2 N4 O9 -","- C96 H48 Cd6 Cl4 N8 O18 -","2","0.5","","Lipstman, Sophia; Goldberg, Israel","Supramolecular Crystal Chemistry with Porphyrin Tinkertoys. Hydrogen-Bonding and Coordination Networks with the “Chair” and “Table” Conformers of Tetra(3-carboxyphenyl)porphyrin","Crystal Growth & Design","2013","13","2","942","","10.1021/cg301728r","","","0.71073","MoKα","","0.196","0.1215","","","0.31","0.3419","","","","","","1.015","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507411","9.3362","0.0013","15.684","0.002","13.6864","0.0018","90","","105.497","0.004","90","","1931.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-(pyridinium-4-yl)piperazine sulfadiazinide","","","- C19 H23 N7 O2 S -","- C19 H23 N7 O2 S -","- C76 H92 N28 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0421","0.0354","","","0.1088","0.1208","","","","","","0.867","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507412","10.7093","0.0013","14.1126","0.0017","15.9739","0.0019","90.196","0.001","105.504","0.001","91.472","0.001","2325.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 4,4-bipyridine","","","- C50 H44 N14 O4 S2 -","- C50 H44 N14 O4 S2 -","- C100 H88 N28 O8 S4 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.041","0.0343","","","0.1098","0.1249","","","","","","0.93","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507413","5.734","0.003","8.057","0.004","18.163","0.01","78.438","0.007","81.646","0.008","77.011","0.007","796.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 1,2-bis(4-pyridyl)acetylene","","","- C16 H14 N5 O2 S -","- C16 H14 N5 O2 S -","- C32 H28 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0674","0.0495","","","0.1315","0.1545","","","","","","0.863","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507414","5.7617","0.0012","7.9548","0.0017","18.104","0.004","98.292","0.004","98.831","0.003","102.779","0.003","785.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine (E)-1,2-bis(4-pyridyl)ethylene","","","- C16 H15 N5 O2 S -","- C16 H15 N5 O2 S -","- C32 H30 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0587","0.0472","","","0.1258","0.141","","","","","","1.058","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507415","7.834","0.005","9.005","0.005","12.31","0.007","79.922","0.007","83.513","0.006","70.167","0.006","802.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","sulfadiazine 4-picoline cocrystal","","","- C16 H17 N5 O2 S -","- C16 H17 N5 O2 S -","- C32 H34 N10 O4 S2 -","2","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0536","0.0436","","","0.1298","0.146","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507416","11.9647","0.0013","8.6341","0.001","15.8757","0.0017","90","","95.112","0.005","90","","1633.5","0.3","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N6 O2 S -","- C15 H16 N6 O2 S -","- C60 H64 N24 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0477","0.0374","","","0.1007","0.1069","","","","","","1.059","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507417","9.1978","0.001","15.1948","0.0016","13.3595","0.0014","90","","109.537","0.005","90","","1759.6","0.3","190","2","190","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 N6 O2 S -","- C17 H20 N6 O2 S -","- C68 H80 N24 O8 S4 -","4","1","","Elacqua, Elizabeth; Bučar, Dejan-Krešimir; Henry, Rodger F.; Zhang, Geoff G. Z.; MacGillivray, Leonard R.","Supramolecular Complexes of Sulfadiazine and Pyridines: Reconfigurable Exteriors and Chameleon-like Behavior of Tautomers at the Co-Crystal‒Salt Boundary","Crystal Growth & Design","2013","13","1","393","","10.1021/cg301745x","","","0.71073","MoKα","","0.0426","0.0344","","","0.0965","0.1012","","","","","","1.077","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507418","11.6891","0.0008","4.162","0.0004","8.3196","0.0007","90","","110.834","0.005","90","","378.28","0.06","296","2","296","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu Ga3 Yb -","- Cu Ga3 Yb -","- Cu4 Ga12 Yb4 -","4","0.5","","Subbarao, Udumula; Peter, Sebastian C.","Crystal Growth and Properties of YbCuGa3: First Monoclinic System in the RETX3Family","Crystal Growth & Design","2013","13","2","953","","10.1021/cg301765f","","","0.71073","MoKα","","0.0749","0.0689","","","0.2345","0.2377","","","","","","1.237","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507443","10.4014","0.0002","16.5049","0.0003","12.6499","0.0002","90","","92.9894","0.0017","90","","2168.7","0.07","150","2","150","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C28 H44 Cu5 I3 N8 S4 W -","- C28 H44 Cu5 I3 N8 S4 W -","- C56 H88 Cu10 I6 N16 S8 W2 -","2","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","1.54178","CuKα","","0.0398","0.0351","","","0.0942","0.0978","","","","","","1.009","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507444","20.117","0.0011","18.9892","0.0014","16.9251","0.001","90","","94.561","0.005","90","","6445","0.7","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 Cu6 I2 N13 O S8 W2 -","- C45 H73 Cu6 I2 N13 O S8 W2 -","- C180 H292 Cu24 I8 N52 O4 S32 W8 -","4","1","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.71073","MoKα","","0.1162","0.0591","","","0.0834","0.1033","","","","","","1.008","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507445","19.937","0.006","10.001","0.003","35.707","0.014","90","","97.164","0.004","90","","7064","4","150","2","150","2","","","","","","","","8","I 1 2/a 1","-I 2ya","15","","","","- C45 H73 Cu6 I2 Mo2 N13 O S8 -","- C42 H66 Cu6 I2 Mo2 N12 S8 -","- C168 H264 Cu24 I8 Mo8 N48 S32 -","4","0.5","","Beheshti, Azizolla; Clegg, William; Nobakht, Valiollah; Harrington, Ross W.","Metal-to-Ligand Ratio As a Design Factor in the One-Pot Synthesis of Coordination Polymers with [MS4Cun] (M = W or Mo,n= 3 or 5) Cluster Nodes and a Flexible Pyrazole-Based Bridging Ligand","Crystal Growth & Design","2013","13","3","1023","","10.1021/cg301106g","","","0.6889","synchrotron","","0.0516","0.0397","","","0.1029","0.1077","","","","","","1.041","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507446","8.753","0.0006","35.44","0.003","17.9595","0.001","90","","91.812","0.007","90","","5568.4","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Cl Mn2 O12 -","- C33 H27 Cl Mn2 O12 -","- C132 H108 Cl4 Mn8 O48 -","4","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.1242","0.0933","","","0.2033","0.2214","","","","","","1.055","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507447","16.4674","0.0011","18.1705","0.0018","20.4456","0.0014","64.167","0.008","70.668","0.006","70.119","0.008","5055.9","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H95 Mn4 N5 O27 -","- C85 H95 Mn4 N5 O27 -","- C170 H190 Mn8 N10 O54 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54184","CuKα","","0.1113","0.0807","","","0.1895","0.2085","","","","","","1.09","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507448","10.635","0.005","16.717","0.007","18.705","0.007","83.78","0.03","84.43","0.04","79.59","0.04","3241","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cu2 N O13 -","- C38 H37 Cu2 N O13 -","- C76 H74 Cu4 N2 O26 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.202","0.0819","","","0.1518","0.1933","","","","","","0.628","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507449","14.056","0.002","18.053","0.002","19.335","0.002","111.129","0.012","93.381","0.011","109.639","0.013","4218.7","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H64 Co3 O23 -","- C66 H54 Co3 O23 -","- C132 H108 Co6 O46 -","2","1","","Zhan, Chao; Zou, Chao; Kong, Guo-Qiang; Wu, Chuan-De","Four Honeycomb Metal‒Organic Frameworks with a Flexible Tripodal Polyaromatic Acid","Crystal Growth & Design","2013","13","4","1429","","10.1021/cg301161c","","","1.54178","CuKα","","0.2178","0.0936","","","0.1825","0.2428","","","","","","0.684","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507450","4.9358","0.0003","9.9438","0.0005","16.7977","0.0008","90","","90.352","0.005","90","","824.43","0.08","120","1","120","1","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H2 F10 N2 S2 -","- C18 H2 F10 N2 S2 -","- C36 H4 F20 N4 S4 -","2","0.5","","Siram, Raja Bhaskar Kanth; Karothu, Durga Prasad; Guru Row, Tayur N.; Patil, Satish","Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles","Crystal Growth & Design","2013","13","3","1045","","10.1021/cg3012298","","x-ray","0.71073","MoKα","","0.039","0.0314","","","0.0797","0.0848","","","","","","1.078","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507451","9.943","0.0005","15.7223","0.0007","6.2495","0.0003","90","","101.142","0.002","90","","958.55","0.08","110","1","110","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 Br2 F10 N2 S2 -","- C18 Br2 F10 N2 S2 -","- C36 Br4 F20 N4 S4 -","2","0.5","","Siram, Raja Bhaskar Kanth; Karothu, Durga Prasad; Guru Row, Tayur N.; Patil, Satish","Unique Type II Halogen···Halogen Interactions in Pentafluorophenyl-Appended 2,2′-Bithiazoles","Crystal Growth & Design","2013","13","3","1045","","10.1021/cg3012298","","x-ray","0.71073","MoKα","","0.0217","0.0196","","","0.0538","0.0543","","","","","","1.475","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507452","12.1559","0.0009","11.6994","0.0008","22.3367","0.0017","90","","101.651","0.001","90","","3111.2","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0311","0.0287","","","0.07","0.0801","","","","","","1.046","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507453","12.1528","0.0008","11.6995","0.0008","22.334","0.0014","90","","101.584","0.001","90","","3110.8","0.4","185","2","185","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H21 Eu N2 Na3 O16 -","- C24 H21 Eu N2 Na3 O16 -","- C96 H84 Eu4 N8 Na12 O64 -","4","2","","Hao, Zhaomin; Song, Shuyan; Su, Shengqun; Song, Xuezhi; Zhu, Min; Zhao, Shuna; Meng, Xing; Zhang, Hongjie","Design and Synthesis of Enantiomerically Pure Chiral Sandwichlike Lamellar Structure: New Explorations from Molecular Building Blocks to Three-Dimensional Morphology","Crystal Growth & Design","2013","13","3","976","","10.1021/cg301321r","","","0.71073","MoKα","","0.0335","0.0313","","","0.0799","0.087","","","","","","1.033","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4507454","24.2101","0.0006","10.2706","0.0002","12.768","0.0003","90","","109.47","0.002","90","","2993.25","0.12","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cd3 O22 -","- C24 H26 Cd3 O22 -","- C96 H104 Cd12 O88 -","4","0.5","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0307","0.0247","","","0.0634","0.065","","","","","","1.035","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507455","13.5193","0.0004","18.2105","0.0004","14.6349","0.0004","90","","97.039","0.003","90","","3575.86","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H31 N6 O12 Zn -","- C39 H31 N6 O12 Zn -","- C156 H124 N24 O48 Zn4 -","4","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0601","0.0351","","","0.0761","0.0817","","","","","","0.954","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507456","10.0028","0.0004","11.6509","0.0004","11.6923","0.0004","82.744","0.003","71.295","0.003","79.519","0.003","1265.75","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N2 O12 Zn -","- C24 H18 N2 O12 Zn -","- C48 H36 N4 O24 Zn2 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0496","0.0381","","","0.1137","0.1172","","","","","","1.047","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507457","10.0678","0.0006","11.5713","0.0005","11.7061","0.0008","82.629","0.004","70.752","0.006","80.001","0.004","1264.24","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 Co N2 O12 -","- C24 H18 Co N2 O12 -","- C48 H36 Co2 N4 O24 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.0701","0.0449","","","0.1173","0.1243","","","","","","0.989","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507458","8.1","0.0007","11.11","0.0009","15.9077","0.001","106.128","0.006","96.718","0.006","96.03","0.007","1351.5","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Cd N2 O15 -","- C22 H18 Cd N2 O15 -","- C44 H36 Cd2 N4 O30 -","2","1","","Gong, Yun; Jiang, Peng Gang; Li, Jian; Wu, Tao; Lin, Jian Hua","Metal(II) Complexes Based on Benzene-1,2,3-triyldioxy-triacetate: Structures and Photoluminescence Properties","Crystal Growth & Design","2013","13","3","1059","","10.1021/cg301331p","","","0.71073","MoKα","","0.032","0.0261","","","0.0737","0.0747","","","","","","1.059","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507459","12.0239","0.0015","13.482","0.0017","14.0414","0.0018","70.491","0.002","77.141","0.002","89.312","0.002","2086.9","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H18 O8 Zn -","- C34 H18 O8 Zn -","- C68 H36 O16 Zn2 -","2","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","0.71073","MoKα","","0.1239","0.0826","","","0.2258","0.2444","","","","","","1.036","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507460","17.823","0.003","30.112","0.004","10.7574","0.0012","90","","118.559","0.011","90","","5070.9","1.3","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Mg0.5 O5 -","- C18 H12 Mg0.5 O5 -","- C144 H96 Mg4 O40 -","8","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","1.54178","CuKα","","0.1274","0.0885","","","0.2417","0.2709","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507461","6.2836","0.0016","10.732","0.003","14.356","0.004","95.441","0.004","98.941","0.004","103.448","0.004","921.4","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 Ni0.5 O7 -","- C21 H16 Ni0.5 O7 -","- C42 H32 Ni O14 -","2","1","","Karra, Jagadeswara R.; Huang, You-Gui; Walton, Krista S.","Synthesis, Characterization, and Adsorption Studies of Nickel(II), Zinc(II), and Magnesium(II) Coordination Frameworks of BTTB","Crystal Growth & Design","2013","13","3","1075","","10.1021/cg3013393","","","0.71073","MoKα","","0.1307","0.0767","","","0.2188","0.2553","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507462","25.8154","0.0012","3.888","0.0006","6.1323","0.0006","90","","88.416","0.004","90","","615.27","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","isoniazid - benzoic acid cocrystal","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1125","0.0623","","","0.1133","0.1329","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507463","6.8942","0.0006","7.1004","0.0006","12.4475","0.0012","104.455","0.004","92.4","0.003","95.106","0.004","586.4","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","isoniazid - sebacic acid cocrystal","","","- C22 H32 N6 O6 -","- C22 H32 N6 O6 -","- C22 H32 N6 O6 -","1","0.5","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1163","0.0617","","","0.1347","0.16","","","","","","1.04","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507464","6.8989","0.0002","7.4686","0.0003","21.375","0.0009","84.096","0.001","82.381","0.001","89.843","0.002","1085.77","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","izoniazid - suberic acid cocrystal","","","- C20 H28 N6 O6 -","- C20 H28 N6 O6 -","- C40 H56 N12 O12 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.0666","0.0453","","","0.1145","0.1296","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507465","7.4573","0.0003","9.5154","0.0004","10.1737","0.0003","96.904","0.003","103.264","0.002","101.946","0.0018","676.7","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","isoniazid - cinnamic acid cocrystal","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C30 H30 N6 O6 -","2","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.0742","0.0504","","","0.1277","0.1436","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507466","14.9124","0.0008","3.7468","0.0002","24.3089","0.0016","90","","96.975","0.002","90","","1348.18","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isoniazid - cinnamic cocrystal II","","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C60 H60 N12 O12 -","4","1","","Sarcevica, Inese; Orola, Liana; Veidis, Mikelis V.; Podjava, Anton; Belyakov, Sergey","Crystal and Molecular Structure and Stability of Isoniazid Cocrystals with Selected Carboxylic Acids","Crystal Growth & Design","2013","13","3","1082","","10.1021/cg301356h","","","0.71069","MoKα","","0.1392","0.0675","","","0.1555","0.2012","","","","","","0.999","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507467","12.449","0.003","17.904","0.004","27.691","0.006","90","","90","","90","","6172","2","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 1","Iridium (4-trifluoromethylphenylbenzothiazole)2 (acac)","","- C33 H21 F6 Ir N2 O2 S2 -","- C33 H21 F6 Ir N2 O2 S2 -","- C264 H168 F48 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0571","0.0356","","","0.0776","0.0879","","","","","","0.97","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507468","10.0877","0.0001","18.273","0.0002","30.8642","0.0003","90","","90","","90","","5689.28","0.1","180","2","180","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Iridium 2","Iridium (4-methylphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O2 S2 -","- C33 H27 Ir N2 O2 S2 -","- C264 H216 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.058","0.0347","","","0.0782","0.0884","","","","","","1.041","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507469","17.1215","0.0002","17.2024","0.0002","18.135","0.0003","90","","90","","90","","5341.32","0.12","180","2","180","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","Iridium 3","Iridium (4-fluorophenylbenzothiazole)2 (acac)","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0513","0.0313","","","0.0688","0.0782","","","","","","1.04","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507470","11.7852","0.0001","21.8859","0.0002","21.4317","0.0002","90","","97.2931","0.0005","90","","5483.15","0.09","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Iridium 4","Iridium (3-fluoromethylphenylbenzothiazole)2 (acac)?","","- C31 H21 F2 Ir N2 O2 S2 -","- C31 H21 F2 Ir N2 O2 S2 -","- C248 H168 F16 Ir8 N16 O16 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0805","0.047","","","0.0911","0.1036","","","","","","1.016","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507471","20.0107","0.0001","63.6177","0.0006","17.7788","0.0002","90","","106.194","0.0004","90","","21735","0.3","180","2","180","2","","","","","","","","6","C 1 c 1","C -2yc","9","Iridium 5","Iridium (phenylbenzothiazole)2 (acac)","","- C31 H23 Ir N2 O2 S2 -","- C31 H23 Ir N2 O2 S2 -","- C992 H736 Ir32 N64 O64 S64 -","32","8","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0629","0.0473","","","0.0903","0.0981","","","","","","1.053","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507472","10.857","0.0002","16.1514","0.0004","17.1152","0.0004","90","","106.982","0.0014","90","","2870.38","0.11","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Iridium 6","Iridium (4-methoxyphenylbenzothiazole)2 (acac)","","- C33 H27 Ir N2 O4 S2 -","- C33 H27 Ir N2 O4 S2 -","- C132 H108 Ir4 N8 O16 S8 -","4","1","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0717","0.0417","","","0.0769","0.0884","","","","","","1.027","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507473","16.951","0.003","17.985","0.004","21.263","0.004","90","","90","","90","","6482","2","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Iridium 7","Iridium (4-trifluoromethylphenylbenzothiazole)2 (pyridine carboxylic acid)","","- C34 H18 F6 Ir N3 O2.88 S2 -","- C34 H18 F6 Ir N3 O2.875 S2 -","- C272 H144 F48 Ir8 N24 O23 S16 -","8","2","","Cole, Jacqueline M.; Bowes, Katharine F.; Clark, Ian P.; Low, Kian Sing; Zeidler, Anita; Parker, Anthony W.; Laskar, Inamur R.; Chen, Teng-Ming","Material Profiling for Photocrystallography: Relating Single-Crystal Photophysical and Structural Properties of Luminescent Bis-Cyclometalated Iridium-Based Complexes","Crystal Growth & Design","2013","13","5","1826","","10.1021/cg301386s","","","0.71073","MoKα","","0.0329","0.0273","","","0.0555","0.0583","","","","","","1.048","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507474","13.5616","0.00023","6.24896","0.0001","9.80579","0.00018","90","","112.2","0.0011","90","","769.4","0.02","373","","373","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","cis-4-aminocyclohexanecarboxylic acid","cis-4-ammoniocyclohexanecarboxylate","","- C7 H13 N O2 -","- C7 H13 N O2 -","- C28 H52 N4 O8 -","4","1","","Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.","Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid","Crystal Growth & Design","2013","13","5","1849","","10.1021/cg3014392","powder diffraction","x-ray","0.334971","","","","","","","","","0.11244","","2.71","","","","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507475","6.286","0.003","8.879","0.004","9.839","0.004","93.625","0.004","98.813","0.004","95.604","0.004","538.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","cis-4-carboxycyclohexanaminiumoxalate:oxalic acid","cis-4-carboxycyclohexanaminiumoxalate:oxalic acid","","- C9 H15 N O6 -","- C9 H15 N O6 -","- C18 H30 N2 O12 -","2","1","","Mora, Asiloé J.; Belandria, Lusbely M.; Ávila, Edward E.; Seijas, Luis E.; Delgado, Gerzon E.; Miró, Aira; Almeida, Rafael; Brunelli, Michela; Fitch, Andrew N.","Investigating the Stability of Double Head to Tail Dimers and Ribbons in Multicomponent Crystals ofcis-4-Aminocyclohexanecarboxilic Acid with Water and Oxalic Acid","Crystal Growth & Design","2013","13","5","1849","","10.1021/cg3014392","","","0.71073","MoKα","","0.076","0.0584","","","0.1592","0.1854","","","","","","1.124","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507476","14.7306","0.0004","19.4915","0.0005","8.2614","0.0002","90","","123.237","0.001","90","","1983.99","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N8 O4 -","- C20 H26 N8 O4 -","- C80 H104 N32 O16 -","4","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0419","0.0388","","","0.1103","0.1139","","","","","","1.077","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507477","18.2469","0.0006","13.187","0.0005","18.6203","0.0006","90","","90","","90","","4480.5","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P b c a","-P 2ac 2ab","61","","","","- C21 H28 N8 O7 -","- C21 H28 N8 O7 -","- C168 H224 N64 O56 -","8","1","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.048","0.0453","","","0.1164","0.1184","","","","","","1.103","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507478","13.8325","0.0006","10.0215","0.0005","7.2137","0.0003","90","","112.385","0.002","90","","924.63","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 N4 O4 -","- C8 H12 N4 O4 -","- C32 H48 N16 O16 -","4","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0358","0.0355","","","0.1059","0.1064","","","","","","1.037","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507479","6.9051","0.0003","17.6822","0.0008","9.3199","0.0004","90","","109.521","0.002","90","","1072.53","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N8 O8 -","- C16 H32 N8 O8 -","- C32 H64 N16 O16 -","2","0.5","","Lie, Sharon; Maris, Thierry; Malveau, Cédric; Beaudoin, Daniel; Helzy, Fatima; Wuest, James D.","Molecular Networks Created by Charge-Assisted Hydrogen Bonding in Carboxylate Salts of a Bis(amidine)","Crystal Growth & Design","2013","13","5","1872","","10.1021/cg3014688","","","1.54178","CuKα","","0.0376","0.0373","","","0.1064","0.1068","","","","","","1.055","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507480","8.1933","0.0003","7.7393","0.0003","11.4405","0.0004","90","","94.486","0.003","90","","723.22","0.05","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 O2 -","- C10 H6 O2 -","- C40 H24 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0347","0.0306","","","0.0834","0.0859","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507481","6.8664","0.0003","20.9003","0.0011","22.0448","0.0008","90","","90","","90","","3163.6","0.2","150.1","","150.1","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C160 H192 O16 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0991","0.0626","","","0.1001","0.1145","","","","","","1.027","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507482","6.8006","0.0004","22.1731","0.0009","7.3916","0.0005","90","","117.031","0.007","90","","992.83","0.12","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C46 H60 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0348","0.0315","","","0.0735","0.0756","","","","","","1.043","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507483","6.9652","0.0003","10.9689","0.0003","31.2143","0.0011","90","","90","","90","","2384.79","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 O4 S2 -","- C24 H36 O4 S2 -","- C96 H144 O16 S8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0476","0.0432","","","0.0924","0.0981","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507484","12.3596","0.0006","6.9442","0.0003","13.9837","0.0008","90","","111","0.006","90","","1120.47","0.11","149.9","","149.9","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O3 -","- C25 H36 O3 -","- C50 H72 O6 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","Applications of Low Temperature Gradient Sublimation in Vacuo: Rapid Production of High Quality Crystals. The First Solvent-Free Crystals of Ethinyl Estradiol","Crystal Growth & Design","2013","13","3","1122","","10.1021/cg301479c","","","0.7107","MoKα","","0.0729","0.0578","","","0.14","0.1516","","","","","","1.048","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507485","16.4467","0.0003","8.3661","0.0002","9.1549","0.0002","90","","107.642","0.001","90","","1200.42","0.05","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H34 Co N2 O9 -","- C24 H30 Co N2 O9 -","- C48 H60 Co2 N4 O18 -","2","0.5","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.0346","0.0342","","","0.0857","0.086","","","","","","1.046","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507486","14.8991","0.0015","11.3688","0.0012","17.9705","0.0018","90","","90.782","0.002","90","","3043.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","73.11Co","","","- C26 H38 Co2 N2 O16 -","- C26 H30 Co2 N2 O16 -","- C104 H120 Co8 N8 O64 -","4","1","","Ingram, Conrad W.; Liao, Liang; Bacsa, John; Harruna, Issifu; Sabo, Daniel; Zhang, Z. John","Novel Layered 2D and Triply Interpenetrating 3D Cobalt-Functionalized Diaza-12-crown Based Coordination Polymers: Synthesis, Structure, and Magnetic Properties","Crystal Growth & Design","2013","13","3","1131","","10.1021/cg301480s","","","0.71073","MoKα","","0.1009","0.0795","","","0.2116","0.2257","","","","","","1.064","","","","has coordinates,has disorder","179610","2020-10-21","18:00:00",""
"4507487","17.0971","0.0003","17.0971","0.0003","13.6304","0.0005","90","","90","","120","","3450.52","0.15","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C48 H24 Cd3 N6 O25 -","- C48 H24 Cd3 N6 O24.99 -","- C96 H48 Cd6 N12 O49.98 -","2","0.333333","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0931","0.0886","","","0.2507","0.2591","","","","","","1.038","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507488","16.5254","0.0003","16.5254","0.0003","14.0982","0.0006","90","","90","","120","","3334.25","0.17","293","2","293","2","","","","","","","","5","P -3 1 c","-P 3 2c","163","","","","- C48 H24 N6 O23 Zn3 -","- C48 H24 N6 O20 Zn3 -","- C96 H48 N12 O40 Zn6 -","2","0.166667","","Han, Liqin; Yan, Yan; Sun, Fuxing; Cai, Kun; Borjigin, Tsolmon; Zhao, Xiaojun; Qu, Fengyu; Zhu, Guangshan","Single- and Double-Layer Structures and Sorption Properties of Two Microporous Metal‒Organic Frameworks with Flexible Tritopic Ligand","Crystal Growth & Design","2013","13","4","1458","","10.1021/cg301559s","","","0.71073","MoKα","","0.0352","0.0287","","","0.0764","0.08","","","","","","0.779","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507489","9.4902","0.0004","5.3041","0.0003","21.2846","0.0008","90","","92.398","0.003","90","","1070.46","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Adenine:succinic acid","","- C9 H11 N5 O4 -","- C9 H11 N5 O4 -","- C36 H44 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.71073","MoKα","","0.0817","0.0586","","","0.1123","0.1257","","","","","","1.114","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507490","3.616","0.0001","13.073","0.0006","22.0296","0.0009","90","","94.633","0.003","90","","1037.98","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adenine:fumaric acid","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C36 H36 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.71073","MoKα","","0.0792","0.0552","","","0.1045","0.1183","","","","","","1.093","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507491","3.61","0.003","13.323","0.011","22.187","0.019","90","","92.258","0.007","90","","1066.3","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Adenine:maleic acid","","- C9 H9 N5 O4 -","- C9 H9 N5 O4 -","- C36 H36 N20 O16 -","4","1","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","0.6889","","","0.0582","0.0416","","","0.102","0.1108","","","","","","1.052","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507492","5.2815","0.0001","10.0506","0.0002","22.0125","0.0004","78.191","0.001","85.16","0.001","80.017","0.001","1124.98","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","Adenine:maleic acid:methanol","","- C9.5 H11 N5 O4.5 -","- C9.5 H11 N5 O4.5 -","- C38 H44 N20 O18 -","4","2","","Thompson, Laura J.; Elias, Norhanida; Male, Louise; Tremayne, Maryjane","Supramolecular Behavior of Adenine with Succinic, Fumaric, and Maleic Acids: Tautomerism, Cocrystallization, Salt Formation, and Solvation","Crystal Growth & Design","2013","13","4","1464","","10.1021/cg301561j","","","1.54184","CuKα","","0.0404","0.0345","","","0.0901","0.0938","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507493","5.9245","0.0004","45.446","0.003","7.7993","0.0006","90","","94.178","0.002","90","","2094.3","0.3","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 S -","- C25 H22 N2 S -","- C100 H88 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0878","0.0552","","","0.1334","0.154","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507494","5.7277","0.0003","43.616","0.002","8.0965","0.0005","90","","91.1839","0.0017","90","","2022.23","0.19","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N2 S -","- C24 H20 N2 S -","- C96 H80 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.1204","0.0556","","","0.1426","0.1814","","","","","","1.041","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507495","5.6649","0.0002","44.2183","0.0015","9.2378","0.0004","90","","97.1237","0.0012","90","","2296.13","0.15","290","1","290","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0781","0.0434","","","0.1209","0.146","","","","","","1.128","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507496","6.2408","0.0005","17.238","0.0014","16.7115","0.0016","90","","91.427","0.003","90","","1797.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 S -","- C20 H20 N2 S -","- C80 H80 N8 S4 -","4","1","","Seo, Ji-Youn; Jazbinsek, Mojca; Choi, Eun-Young; Lee, Seung-Heon; Yun, Hoseop; Kim, Jong-Taek; Lee, Yoon Sup; Kwon, O-Pil","Unusual Twisting and Bending of Phenyltriene with Methylthiolated Biphenyl Sulfane Group in the Crystalline State","Crystal Growth & Design","2013","13","3","1014","","10.1021/cg301625d","","","0.71073","MoKα","","0.0721","0.0428","","","0.1001","0.1115","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507497","19.514","0.004","17.533","0.004","11.637","0.002","90","","109.2","0.03","90","","3760","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N4 O3 -","- C22 H17 N4 O3 -","- C176 H136 N32 O24 -","8","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.789","synchrotron","","0.0603","0.0587","","","0.1599","0.1614","","","","","","1.035","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507498","16.211","0.003","21.047","0.004","16.576","0.004","90","","107.906","0.005","90","","5381.7","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H34 Co N8 O14 -","- C44 H34 Co N8 O14 -","- C176 H136 Co4 N32 O56 -","4","0.5","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.71073","MoKα","","0.1662","0.0732","","","0.1713","0.2037","","","","","","0.804","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507499","12.84","0.003","13.386","0.003","18.77","0.004","71.71","0.03","84.54","0.03","62.64","0.03","2715.9","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H55 N11 Ni O10 -","- C53 H55 N11 Ni O10 -","- C106 H110 N22 Ni2 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.738","synchrotron","","0.1604","0.0846","","","0.2097","0.2496","","","","","","0.936","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4507500","9.233","0.0018","12.419","0.003","18.88","0.004","105.73","0.03","95.45","0.03","94.09","0.03","2063.7","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H40 Cu2 N8 O10 -","- C44 H40 Cu2 N8 O10 -","- C88 H80 Cu4 N16 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.789","synchrotron","","0.0668","0.057","","","0.1573","0.168","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507501","10.808","0.002","14.539","0.003","16.626","0.003","111.03","0.03","96.96","0.03","93.92","0.03","2402.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 Cu2 N10 O10 -","- C50 H46 Cu2 N10 O10 -","- C100 H92 Cu4 N20 O20 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.7513","synchrotron","","0.0519","0.0507","","","0.145","0.1467","","","","","","1.078","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507502","12.2619","0.0016","13.8402","0.0018","15.549","0.002","68.296","0.002","79.036","0.002","89.716","0.002","2400.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 Cu2 N8 O8 S2 -","- C48 H44 Cu2 N8 O8 S2 -","- C96 H88 Cu4 N16 O16 S4 -","2","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.71073","MoKα","","0.1787","0.0648","","","0.16","0.2257","","","","","","0.956","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507503","12.818","0.003","10.705","0.002","20.701","0.004","90","","95.86","0.03","90","","2825.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 Cu N4 O6 S2 -","- C26 H30 Cu N4 O6 S2 -","- C104 H120 Cu4 N16 O24 S8 -","4","1","","Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.","Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets","Crystal Growth & Design","2013","13","3","1193","","10.1021/cg301628q","","","0.7513","synchrotron","","0.066","0.0637","","","0.1825","0.1854","","","","","","1.043","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507504","4.898","0.0008","14.698","0.002","10.3341","0.0016","90","","98.774","0.004","90","","735.25","0.19","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","0.71073","MoKα","","0.0977","0.0354","","","0.0577","0.0637","","","","","","0.942","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507505","17.517","0.005","7.2602","0.0018","6.224","0.002","90","","107.61","0.03","90","","754.5","0.4","298","2","298","2","","","","","","","","3","C 1 c 1","C -2yc","9","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","1.5418","CuKα","","0.094","0.053","","","0.1017","0.134","","","","","","0.854","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507506","5.9845","0.0006","8.3384","0.0006","14.4209","0.0012","90","","96.526","0.009","90","","714.96","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","methyl paraben","methyl 4-hydroxybenzoate","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Gelbrich, Thomas; Braun, Doris E.; Ellern, Arkady; Griesser, Ulrich J.","Four Polymorphs of Methyl Paraben: Structural Relationships and Relative Energy Differences.","Crystal growth & design","2013","13","3","1206","1217","10.1021/cg301639r","","","0.71073","MoKα","","0.0786","0.0489","","","0.1052","0.1187","","","","","","0.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507507","46.038","0.003","46.038","0.003","11.3254","0.0003","90","","90","","90","","24004","2","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co La2 N8 O29 -","- C48 H36 Co La2 N8 O29 -","- C768 H576 Co16 La32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0806","0.0593","","","0.1654","0.1829","","","","","","1.089","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507508","45.942","0.0013","45.942","0.0013","11.2367","0.0004","90","","90","","90","","23716.9","1.3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H52 Co N8 O30 Pr2 -","- C48 H36 Co N8 O30 Pr2 -","- C768 H576 Co16 N128 O480 Pr32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1511","0.0778","","","0.1805","0.2281","","","","","","1.029","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507509","45.7979","0.0007","45.7979","0.0007","11.2276","0.0002","90","","90","","90","","23549.3","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 Nd2 O29 -","- C48 H34 Co N8 Nd2 O29 -","- C768 H544 Co16 N128 Nd32 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0879","0.0564","","","0.1379","0.1572","","","","","","1.03","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507510","45.9697","0.001","45.9697","0.001","11.1834","0.0003","90","","90","","90","","23632.9","1","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co N8 O29 Sm2 -","- C48 H36 Co N8 O29 Sm2 -","- C768 H576 Co16 N128 O464 Sm32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0652","0.0442","","","0.1144","0.129","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507511","45.8777","0.0007","45.8777","0.0007","11.10616","0.0002","90","","90","","90","","23375.8","0.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H50 Co Eu2 N8 O29 -","- C48 H36 Co Eu2 N8 O29 -","- C768 H576 Co16 Eu32 N128 O464 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0818","0.0574","","","0.1408","0.1595","","","","","","1.022","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507512","45.204","0.002","45.204","0.002","10.7836","0.0005","90","","90","","90","","22035.2","1.7","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H46 Co Gd2 N8 O27 -","- C48 H36 Co Gd2 N8 O27 -","- C768 H576 Co16 Gd32 N128 O432 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.093","0.0689","","","0.1911","0.2102","","","","","","1.091","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507513","45.822","0.0007","45.822","0.0007","11.0046","0.0003","90","","90","","90","","23105.9","0.8","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co N8 O28 Tb2 -","- C48 H36 Co N8 O28 Tb2 -","- C768 H576 Co16 N128 O448 Tb32 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.0705","0.0547","","","0.1401","0.1491","","","","","","1.096","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507514","45.87","0.004","45.87","0.004","10.998","0.0007","90","","90","","90","","23140","3","293","2","293","2","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C48 H48 Co Dy2 N8 O29 -","- C48 H36 Co Dy2 N8 O28 -","- C768 H576 Co16 Dy32 N128 O448 -","16","","","Zhou, Jing-Min; Shi, Wei; Xu, Na; Cheng, Peng","A New Family of 4f-3d Heterometallic Metal‒Organic Frameworks with 2,2′-Bipyridine-3,3′-dicarboxylic Acid: Syntheses, Structures and Magnetic Properties","Crystal Growth & Design","2013","13","3","1218","","10.1021/cg301668g","","","0.7107","MoKα","","0.1463","0.0762","","","0.185","0.2202","","","","","","0.994","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507515","16.954","0.005","16.954","0.005","13.846","0.005","90","0.005","90","0.005","120","0.005","3446.7","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.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0762","0.0587","","","0.1745","0.1921","","","","","","1.109","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507516","17.275","0.005","17.275","0.003","14.107","0.005","90","0.005","90","0.005","120","0.005","3645.9","1.8","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C63 H39 Cl Mn2 N12 O6 -","- C63 H39 Cl Mn2 N12 O6 -","- C126 H78 Cl2 Mn4 N24 O12 -","2","0.166667","","Agarwal, Rashmi A.; Aijaz, Arshad; Sañudo, Carolina; Xu, Qiang; Bharadwaj, Parimal K.","Gas Adsorption and Magnetic Properties in Isostructural Ni(II), Mn(II), and Co(II) Coordination Polymers","Crystal Growth & Design","2013","13","3","1238","","10.1021/cg3016904","","","0.71073","MoKα","","0.0898","0.0535","","","0.12","0.1297","","","","","","0.835","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507517","39.12","0.005","39.12","0.005","39.12","0.005","90","","90","","90","","59868","13","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H8 O32 S4 Zr6.13 -","- C24 H8 O32 S4 Zr6.45 -","- C576 H192 O768 S96 Zr154.8 -","24","0.125","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0709","0.0705","","","0.2061","0.2064","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507518","39.01","0.005","39.01","0.005","39.01","0.005","90","","90","","90","","59365","13","293","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C24 H8 Hf6.45 O32 S4 -","- C24 H8 Hf6.45 O32 S4 -","- C576 H192 Hf154.8 O768 S96 -","24","0.125","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.037","0.0366","","","0.1243","0.1246","","","","","","1.145","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507519","53.68","0.006","53.68","0.006","53.68","0.006","90","","90","","90","","154681","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8 O32.6 S4.4 Zr6.07 -","- C26.4 H8 O32.6 S4.4 Zr6.072 -","- C1584 H480 O1956 S264 Zr364.32 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0845","0.0795","","","0.2328","0.2403","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507520","53.51","0.006","53.51","0.006","53.51","0.006","90","","90","","90","","153216","3","296","2","296","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C26.4 H8.8 Hf6.09 O32.8 S4.4 -","- C26.4 H8.8 Hf6.092 O32.8 S4.4 -","- C1584 H528 Hf365.52 O1968 S264 -","60","0.625","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0644","0.0611","","","0.1853","0.1891","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507521","13.57","0.003","19.8","0.004","28.39","0.006","90","","90","","90","","7628","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 O32 S5 Zr6 -","- C30 H10 O32 S5 Zr6 -","- C120 H40 O128 S20 Zr24 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.1037","0.0888","","","0.2562","0.2771","","","","","","1.072","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507522","13.53","0.003","19.71","0.004","28.3","0.006","90","","90","","90","","7547","3","293","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H10 Hf6 O32 S5 -","- C30 H10 Hf6 O32 S5 -","- C120 H40 Hf24 O128 S20 -","4","1","","Bon, Volodymyr; Senkovska, Irena; Baburin, Igor A.; Kaskel, Stefan","Zr- and Hf-Based Metal‒Organic Frameworks: Tracking Down the Polymorphism","Crystal Growth & Design","2013","13","3","1231","","10.1021/cg301691d","","x-ray","0.88561","synchrotron","","0.0524","0.0509","","","0.1507","0.1517","","","","","","1.105","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507523","22.375","0.002","22.375","0.002","22.375","0.002","90","","90","","90","","11201.8","1.7","100","2","100","2","","","","","","","","5","I 4 3 2","I 4 2 3","211","","","","- C30 H23 In N4 S3 -","- C30 H23 In N4 S3 -","- C360 H276 In12 N48 S36 -","12","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0881","0.0863","","","0.2173","0.2199","","","","","","1.016","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507524","22.086","0.002","22.086","0.002","22.086","0.002","90","","90","","90","","10773.4","1.7","100","2","100","2","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- C19 H12.67 Cl3 In N6.33 -","- C19.008 H12.672 Cl3 In N6.336 -","- C114.048 H76.032 Cl18 In6 N38.016 -","6","0.25","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.1683","0.0812","","","0.1898","0.224","","","","","","1.008","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507525","10.283","0.003","13.703","0.003","16.698","0.004","90","","90","","90","","2352.9","1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 In N4 O S2 -","- C24 H19 In N4 O S2 -","- C96 H76 In4 N16 O4 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0615","0.0447","","","0.0795","0.0826","","","","","","1.002","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507526","10.922","0.002","13.515","0.003","22.18","0.003","90","","119.18","0.03","90","","2858.5","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H30 In N4 O3 S2 -","- C27.501 H24.848 In N4 O3.001 S2 -","- C110.004 H99.392 In4 N16 O12.004 S8 -","4","1","","Heine, Johanna; Hołyńska, Małgorzata; Reuter, Marco; Haas, Benedikt; Chatterjee, Sangam; Koch, Martin; Gries, Katharina I.; Volz, Kerstin; Dehnen, Stefanie","In(SAr)3As a Building Block for 3D and Helical Coordination Polymers","Crystal Growth & Design","2013","13","3","1252","","10.1021/cg301724v","","","0.71073","MoKα","","0.0332","0.0268","","","0.0703","0.0722","","","","","","1.006","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507527","12.4378","0.0006","14.7717","0.0008","16.6097","0.0009","90","","90","","90","","3051.7","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C15 H14 Mn N2 O6 -","- C15 H14 Mn N2 O6 -","- C120 H112 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0793","0.0594","","","0.159","0.1748","","","","","","1.053","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507528","12.6991","0.0005","15.5711","0.0006","16.3313","0.0006","90","","90","","90","","3229.3","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.0983","0.0882","","","0.2477","0.2584","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507529","12.6358","0.0008","15.2897","0.0009","16.4183","0.001","90","","90","","90","","3172","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Mn N2 O6 -","- C16 H16 Mn N2 O6 -","- C128 H128 Mn8 N16 O48 -","8","1","","Xu, Ling; Kwon, Young-Uk; de Castro, Baltazar; Cunha-Silva, Luís","Novel Mn(II)-Based Metal‒Organic Frameworks Isolated in Ionic Liquids","Crystal Growth & Design","2013","13","3","1260","","10.1021/cg301725z","","","0.71073","MoKα","","0.1031","0.0685","","","0.1652","0.1879","","","","","","1.086","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507530","17.9946","0.0019","20.49","0.002","27.772","0.003","82.113","0.002","72.543","0.002","84.884","0.002","9663.3","1.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C139 H92 N30 O33 Zn8 -","- C139 H92 N30 O33 Zn8 -","- C278 H184 N60 O66 Zn16 -","2","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.1497","0.0701","","","0.163","0.1791","","","","","","0.934","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507531","19.0758","0.0019","19.0758","0.0019","11.429","0.002","90","","90","","120","","3601.7","0.8","298","2","298","2","","","","","","","","5","P -3","-P 3","147","","","","- C24 H16 N4 O4 Zn -","- C24 H16 N4 O4 Zn -","- C144 H96 N24 O24 Zn6 -","6","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.098","0.0894","","","0.2307","0.2354","","","","","","1.084","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507532","8.5692","0.0012","20.821","0.003","15.037","0.002","90","","97.053","0.002","90","","2662.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 N6 O5.5 Zn -","- C25 H20 N6 O5.5 Zn -","- C100 H80 N24 O22 Zn4 -","4","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0553","0.0441","","","0.1281","0.1371","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507533","36.3142","0.0019","36.3142","0.0019","36.3142","0.0019","90","","90","","90","","47888","4","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C20 H16 N4 O4 Zn -","- C20 H16 N4 O4 Zn -","- C1920 H1536 N384 O384 Zn96 -","96","0.5","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0972","0.0627","","","0.1725","0.1867","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507534","14.705","0.002","15.934","0.003","16.796","0.003","90","","90","","90","","3935.5","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N6 O6 Zn -","- C20 H17 N6 O6 Zn -","- C160 H136 N48 O48 Zn8 -","8","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0781","0.052","","","0.1365","0.1555","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507535","7.7103","0.0006","17.4489","0.0013","18.0994","0.0013","85.999","0.001","89.112","0.001","83.65","0.001","2414.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H36 N12 O18 Zn2 -","- C50 H36 N12 O18 Zn2 -","- C100 H72 N24 O36 Zn4 -","2","1","","Sun, Di; Yan, Zhi-Hao; Blatov, Vladislav A.; Wang, Lei; Sun, Dao-Feng","Syntheses, Topological Structures, and Photoluminescences of Six New Zn(II) Coordination Polymers Based on Mixed Tripodal Imidazole Ligand and Varied Polycarboxylates","Crystal Growth & Design","2013","13","3","1277","","10.1021/cg3017358","","","0.71073","MoKα","","0.0407","0.0329","","","0.087","0.092","","","","","","1.028","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507536","14.9938","0.0019","12.6823","0.0016","8.2101","0.001","90","","91.66","0.002","90","","1560.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H22 Cd Cl2 N6 O4 -","- C34 H22 Cd Cl2 N6 O4 -","- C68 H44 Cd2 Cl4 N12 O8 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0452","0.0315","","","0.0754","0.0832","","","","","","1.02","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507537","30.741","0.003","15.1729","0.0016","20.697","0.002","90","","125.529","0.002","90","","7856.4","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H29 Cd N8 O13.5 -","- C34 H22 Cd N8 O13.5 -","- C272 H176 Cd8 N64 O108 -","8","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.1006","0.0704","","","0.1929","0.2285","","","","","","1.083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507538","23.192","0.013","9.862","0.006","17.081","0.009","90","","113.969","0.01","90","","3570","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cd N8 O12 -","- C34 H26 Cd N8 O12 -","- C136 H104 Cd4 N32 O48 -","4","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0525","0.0403","","","0.1003","0.1084","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507539","10.0026","0.0008","12.8675","0.001","15.4829","0.0012","80.627","0.002","71.799","0.002","84.189","0.002","1865.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Cd Cl2 N6 O15 -","- C34 H28 Cd Cl2 N6 O15 -","- C68 H56 Cd2 Cl4 N12 O30 -","2","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0544","0.0424","","","0.1113","0.1227","","","","","","1.058","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507540","9.7355","0.001","10.0002","0.001","26.295","0.003","90","","90","","90","","2560","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 Cd Cl2 N3 O13.5 -","- C17 H15 Cd Cl2 N3 O13.5 -","- C68 H60 Cd4 Cl8 N12 O54 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0783","0.0559","","","0.1394","0.1561","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507541","16.674","0.003","9.1071","0.0016","24.873","0.004","90","","108.219","0.004","90","","3587.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29.6 Cd N6 O11.8 S -","- C34 H24 Cd N6 O11.8 S -","- C136 H96 Cd4 N24 O47.2 S4 -","4","1","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.1281","0.0644","","","0.1526","0.1872","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507542","8.8794","0.0017","10.993","0.002","12.0665","0.0017","90","","121.531","0.01","90","","1003.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 Cd N3 O6 -","- C21 H17 Cd N3 O6 -","- C42 H34 Cd2 N6 O12 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0264","0.0257","","","0.069","0.0696","","","","","","1.112","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507543","8.7188","0.0003","10.9954","0.0003","12.0144","0.0003","90","","121.556","0.002","90","","981.47","0.05","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 N3 O6 Zn -","- C21 H17 N3 O6 Zn -","- C42 H34 N6 O12 Zn2 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0264","0.0247","","","0.0731","0.0749","","","","","","1.122","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507544","8.9228","0.0019","10.996","0.002","12.0653","0.0018","90","","121.556","0.011","90","","1008.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H17 Hg N3 O6 -","- C21 H17 Hg N3 O6 -","- C42 H34 Hg2 N6 O12 -","2","0.5","","Wan, Chong-Qing; Li, Ai-Min; Al-Thabaiti, Shaeel A.; Mak, Thomas C. W.","Group 12 Metal Complexes of Semirigid 2,6-Pyridinediylbis(3-pyridinyl)methanone: Role of Counteranions and Solvent in Product Formation","Crystal Growth & Design","2013","13","5","1926","","10.1021/cg3017408","","","0.71073","MoKα","","0.0542","0.0376","","","0.0782","0.0873","","","","","","1.094","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507545","10.4621","0.001","16.608","0.0015","13.9436","0.0013","90","","90","","90","","2422.8","0.4","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","1","","","- C24 H23 Cd N3 O7 -","- C24 H23 Cd N3 O7 -","- C96 H92 Cd4 N12 O28 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0615","0.0473","","","0.1185","0.1246","","","","","","1.14","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507546","16.811","0.003","13.891","0.003","20.743","0.004","90","","90","","90","","4843.9","1.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C168 H128 Cd8 N16 O48 -","8","1","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0434","0.0297","","","0.0728","0.0792","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507547","10.3913","0.0008","16.7981","0.0013","13.8612","0.0011","90","","90","","90","","2419.5","0.3","173","2","173","2","","","","","","","","5","P b c m","-P 2c 2b","57","3","","","- C21 H16 Cd N2 O6 -","- C21 H16 Cd N2 O6 -","- C84 H64 Cd4 N8 O24 -","4","0.5","","Husain, Ahmad; Ellwart, Mario; Bourne, Susan A.; Öhrström Lars; Oliver, Clive L.","Single-Crystal-to-Single-Crystal Transformation of a Novel 2-Fold Interpenetrated Cadmium-Organic Framework with Trimesate and 1,2-Bis(4-pyridyl)ethane into the Thermally Desolvated Form Which Exhibits Liquid and Gas Sorption Properties","Crystal Growth & Design","2013","13","4","1526","","10.1021/cg301760a","","","0.71073","MoKα","","0.0657","0.0551","","","0.1421","0.1493","","","","","","1.101","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507548","10.6684","0.0002","11.1245","0.0001","51.3881","0.0007","90","","90","","90","","6098.77","0.15","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monoammonium glicyrrhizinate 4.0 propionic acid 3.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monoammonium salt water/propionic acid solvate","","- C54 H95 N O27 -","- C54 H95 N O27 -","- C216 H380 N4 O108 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0552","0.0548","","","0.1577","0.1583","","","","","","1.062","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507549","10.1563","0.0003","11.1999","0.0005","53.615","0.0015","90","","90","","90","","6098.7","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monopotassium glicyrrhizinate 5.66 acetic acid 2.02 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monopotassium salt water/acetic acid solvate","","- C53.27 H87.73 K O29.36 -","- C53.274 H85.548 K O29.363 -","- C213.096 H342.192 K4 O117.452 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0562","0.0556","","","0.1548","0.1557","","","","","","1.059","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507550","10.673","0.0002","11.1804","0.0002","51.5673","0.0012","90","","90","","90","","6153.4","0.2","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","monocaesium glicyrrhizinate 3.79 propionic acid 3.21 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic monocaesium salt water/acetic acid solvate","","- C53.38 H90.16 Cs O26.79 -","- C53.379 H89.758 Cs O26.793 -","- C213.516 H359.032 Cs4 O107.172 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.044","0.0432","","","0.118","0.1188","","","","","","1.114","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507551","9.855","0.0004","11.2823","0.0003","52.659","0.003","90","","90","","90","","5855","0.4","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","diammonium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic diammonium salt water/DMF solvate","","- C51 H93 N5 O21 -","- C51 H92.68 N5 O21 -","- C204 H370.72 N20 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0607","0.0595","","","0.1727","0.1743","","","","","","1.056","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507552","9.8405","0.0001","11.252","0.0001","52.2345","0.0002","90","","90","","90","","5783.68","0.08","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dipotassium glicyrrhizinate 3.0 DMF 2.0 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dipotassium salt water/DMF solvate","","- C51 H85 K2 N3 O21 -","- C51 H84.618 K2 N3 O21 -","- C204 H338.472 K8 N12 O84 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.0508","0.0503","","","0.1428","0.1434","","","","","","1.092","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507553","10.2854","0.0001","11.4845","0.0001","51.8388","0.0006","90","","90","","90","","6123.34","0.11","130","2","130","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","dicaesium glicyrrhizinate 3.00 DMF 3.40 water solvate","3beta-[O-beta-D-glucopyranuronosyl- beta-D-glucopyranuronosyloxy]-ll-oxo- (18betaH)-olean-12-en-30beta-oic dicaesium salt water/DMF solvate","","- C51 H87.8 Cs2 N3 O22.4 -","- C51 H83 Cs2 N3 O22.421 -","- C204 H332 Cs8 N12 O89.684 -","4","1","","Tykarska, Ewa; Gdaniec, Maria","Toward Better Understanding of Isomorphism of Glycyrrhizic Acid and Its Mono- and Dibasic Salts","Crystal Growth & Design","2013","13","3","1301","","10.1021/cg301768h","","","1.54184","CuKα","","0.049","0.0481","","","0.1329","0.134","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507554","5.807","0.002","13.549","0.008","14.28","0.006","90","","90","","90","","1123.5","0.9","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0815","0.043","","","0.1003","0.1316","","","","","","1.113","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507555","8.74","0.03","5.781","0.014","10.63","0.03","90","","92.01","0.17","90","","537","3","296.15","","296.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1214","0.0747","","","0.1826","0.2191","","","","","","1.056","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507556","5.96","0.003","14.019","0.009","15.021","0.011","90","","90","","90","","1255.1","1.4","205","","205","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","2-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.065","0.0477","","","0.1199","0.1348","","","","","","1.08","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507557","5.4526","0.0012","13.538","0.003","14.735","0.004","90","","90","","90","","1087.7","0.5","293.15","","293.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C56 H56 F8 -","8","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.1033","0.0558","","","0.1209","0.1549","","","","","","1.093","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507558","7.223","0.009","7.623","0.01","12.098","0.016","90","","105.67","0.03","90","","641.4","1.4","179","","179","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.0551","0.0489","","","0.1437","0.152","","","","","","1.121","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507559","13.215","0.004","4.7872","0.0008","8.9622","0.0019","90","","90","","90","","567","0.2","293.15","","293.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.56087","AgKα","K-L~3~","0.0923","0.0499","","","0.1296","0.1692","","","","","","1.05","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507560","7.452","0.006","5.987","0.006","14.693","0.017","90","","104","0.03","90","","636.1","1.1","217","","217","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-fluorotoluene","","- C7 H7 F -","- C7 H7 F -","- C28 H28 F4 -","4","1","","Ridout, Joe; Probert, Michael R.","High-Pressure and Low-Temperature Polymorphism in C‒H···F‒C Hydrogen Bonded Monofluorotoluenes","Crystal Growth & Design","2013","13","5","1943","","10.1021/cg301773h","","x-ray","0.71073","MoKα","K-L~3~","0.0753","0.0474","","","0.1203","0.1384","","","","","","1.031","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507561","9.0696","0.0012","10.2211","0.0016","9.1028","0.0012","90","","90","","90","","843.8","0.2","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.42 Ru1.58 Yb -","- Al10 Mn0.418 Ru1.582 Yb -","- Al40 Mn1.672 Ru6.328 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0423","0.0303","","","0.0469","0.0496","","","","","","1.11","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507562","9.071","0.002","10.225","0.003","9.102","0.002","90","","90","","90","","844.2","0.4","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Mn0.44 Ru1.56 Yb -","- Al10 Mn0.442 Ru1.558 Yb -","- Al40 Mn1.768 Ru6.232 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0303","0.0253","","","0.0486","0.0512","","","","","","1.131","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507563","8.9852","0.001","10.204","0.0012","9.0288","0.001","90","","90","","90","","827.81","0.16","298","2","298","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Al10 Fe1.18 Mn0.82 Yb -","- Al10 Fe1.18 Mn0.82 Yb -","- Al40 Fe4.72 Mn3.28 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0277","0.0255","","","0.0632","0.064","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507564","12.761","0.002","12.761","0.002","5.1194","0.0015","90","","90","","90","","833.7","0.3","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.85 Mn1.95 Ru0.21 Yb -","- Al9.846 Mn1.946 Ru0.208 Yb -","- Al39.384 Mn7.784 Ru0.832 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0621","0.0283","","","0.0531","0.0621","","","","","","1.019","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507565","12.732","0.001","12.732","0.001","5.1123","0.0005","90","","90","","90","","828.72","0.12","298","2","298","2","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","","","- Al9.69 Fe0.32 Mn1.99 Yb -","- Al9.672 Fe0.274 Mn2.054 Yb -","- Al38.688 Fe1.096 Mn8.216 Yb4 -","4","0.25","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0355","0.026","","","0.0664","0.073","","","","","","1.044","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507566","8.968","0.002","8.968","0.002","5.105","0.002","90","","90","","90","","410.6","0.2","298","2","298","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Al9.51 Fe0.28 Mn2.21 Yb -","- Al9.52 Fe0.28 Mn2.212 Yb -","- Al19.04 Fe0.56 Mn4.424 Yb2 -","2","0.0625","","Fulfer, Bradford W.; McAlpin, Jacob D.; Haldolaarachchige, Neel; Young, David P.; Chan, Julia Y.","Synthesis, Structure, and Magnetic and Electrical Properties of Yb(Mn,M)xAl12‒x(M = Fe, Ru;x≤ 2.5) Phases","Crystal Growth & Design","2013","13","4","1543","","10.1021/cg301783q","","","0.71073","MoKα","","0.0192","0.0177","","","0.0357","0.0361","","","","","","1.095","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507567","12.6069","0.0017","13.6925","0.0018","14.595","0.002","90","","110.973","0.003","90","","2352.5","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C88 H96 N32 O32 -","8","2","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.1303","0.0856","","","0.1405","0.1556","","","","","","1.142","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507568","7.4285","0.0006","22.0769","0.0018","10.9219","0.001","90","","101.461","0.009","90","","1755.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N7 O6 -","- C15 H19 N7 O6 -","- C60 H76 N28 O24 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.7107","MoKα","","0.1441","0.0517","","","0.0664","0.0812","","","","","","0.851","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507569","5.3525","0.0005","17.8159","0.0012","11.0537","0.001","90","","99.057","0.008","90","","1040.93","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N O6 S -","- C8 H11 N O6 S -","- C32 H44 N4 O24 S4 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.7107","MoKα","","0.0707","0.0426","","","0.0982","0.1071","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507570","6.75","0.002","7.06","0.002","14.809","0.004","95.977","0.004","97.899","0.005","104.722","0.004","668.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N3 O5 -","- C13 H15 N3 O5 -","- C26 H30 N6 O10 -","2","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0809","0.04","","","0.0967","0.111","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507571","8.79","0.004","14.615","0.007","6.955","0.003","90","","97.799","0.008","90","","885.2","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 N Na O5 -","- C7 H10 N Na O5 -","- C28 H40 N4 Na4 O20 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0495","0.0434","","","0.1015","0.1048","","","","","","1.103","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507572","15.794","0.0016","19.897","0.002","5.5179","0.0006","90","","90","","90","","1734","0.3","298","2","298","2","","","","","","","","5","P b a 2","P 2 -2ab","32","","","","- C14 H16 N2 O10 S -","- C14 H16 N2 O10 S -","- C56 H64 N8 O40 S4 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0468","0.0443","","","0.111","0.1123","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507573","3.7161","0.0004","7.3629","0.0009","23.307","0.003","90","","91.889","0.002","90","","637.36","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N O3 -","- C7 H7 N O3 -","- C28 H28 N4 O12 -","4","1","","Cherukuvada, Suryanarayan; Bolla, Geetha; Sikligar, Kanishka; Nangia, Ashwini","4-Aminosalicylic Acid Adducts","Crystal Growth & Design","2013","13","4","1551","","10.1021/cg301798s","","","0.71073","MoKα","","0.0759","0.0589","","","0.1365","0.1456","","","","","","1.081","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507574","5.1586","0.0006","8.9072","0.0009","20.768","0.002","86.317","0.007","86.355","0.007","73.313","0.007","911.17","0.17","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethene cocrystal","","- C40 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","- C39.99 H28 Cl2 F6 N4 O4 -","1","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0905","0.078","","","0.1984","0.2095","","","","","","1.026","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507575","5.3101","0.0004","8.6465","0.0005","20.705","0.0014","84.956","0.004","85.946","0.004","74.581","0.004","911.77","0.11","120","2","120","2","","","","","","","","6","P 1","P 1","1","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one 1,2-bis(4-pyridyl)ethane cocrystal","","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","- C40 H30 Cl2 F6 N4 O4 -","1","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0426","0.0379","","","0.0924","0.0963","","","","","","1.023","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507576","16.656","0.007","5.312","0.002","17.227","0.007","90","","113.59","0.03","90","","1396.8","1","300","2","300","2","","","","","","","","6","C 1 2 1","C 2y","5","","(4S)-6-Chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1- benzoxazin-2-one","","- C14 H9 Cl F3 N O2 -","- C14 H9 Cl F3 N O2 -","- C56 H36 Cl4 F12 N4 O8 -","4","1","","de Melo, Ariane Carla Campos; de Amorim, Isadora Ferreira; Cirqueira, Marilia de Lima; Martins, Felipe Terra","Toward Novel Solid-State Forms of the Anti-HIV Drug Efavirenz: From Low Screening Success to Cocrystals Engineering Strategies and Discovery of a New Polymorph","Crystal Growth & Design","2013","13","4","1558","","10.1021/cg3018002","","","0.71073","MoKα","","0.0854","0.0418","","","0.087","0.106","","","","","","1.024","","","","has coordinates,has disorder","179611","2020-10-21","18:00:00",""
"4507577","7.464","0.002","25.721","0.007","9.446","0.003","90","","90","","90","","1813.5","0.9","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl La N O5 -","- C17 H15 Cl La N O5 -","- C68 H60 Cl4 La4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0426","0.0349","","","0.0855","0.0894","","","","","","1.098","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507578","7.4355","0.0012","25.881","0.004","9.5099","0.0015","90","","90","","90","","1830.1","0.5","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Ce Cl N O5 -","- C17 H15 Ce Cl N O5 -","- C68 H60 Ce4 Cl4 N4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0319","","","0.0734","0.0744","","","","","","1.121","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507579","7.3702","0.0009","25.843","0.003","9.4821","0.0012","90","","90","","90","","1806","0.4","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Pr -","- C17 H15 Cl N O5 Pr -","- C68 H60 Cl4 N4 O20 Pr4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0395","0.0314","","","0.0699","0.0729","","","","","","1.073","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507580","7.3481","0.0008","25.927","0.003","9.5122","0.001","90","","90","","90","","1812.2","0.3","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N Nd O5 -","- C17 H15 Cl N Nd O5 -","- C68 H60 Cl4 N4 Nd4 O20 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.0337","0.0302","","","0.069","0.0704","","","","","","1.138","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507581","7.2822","0.0014","25.977","0.005","9.5234","0.0019","90","","90","","90","","1801.5","0.6","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C17 H15 Cl N O5 Sm -","- C17 H15 Cl N O5 Sm -","- C68 H60 Cl4 N4 O20 Sm4 -","4","0.5","","Jia, Li-Na; Hou, Lei; Wei, Lei; Jing, Xiao-Jing; Liu, Bo; Wang, Yao-Yu; Shi, Qi-Zhen","Five sra Topological Ln(III)-MOFs Based on Novel Metal-Carboxylate/Cl Chain: Structure, Near-Infrared Luminescence and Magnetic Properties","Crystal Growth & Design","2013","13","4","1570","","10.1021/cg301810y","","","0.71073","MoKα","","0.066","0.0508","","","0.1208","0.1321","","","","","","1.104","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507582","12.284","0.003","8.198","0.002","15.484","0.004","90","","96.174","0.004","90","","1550.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,6-dichlorophenylamine)phenylacetoxyacetic acid","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C64 H52 Cl8 N4 O16 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0756","0.0535","","","0.1185","0.1288","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507583","11.296","0.001","8.7429","0.0008","20.8507","0.0019","90","","98.012","0.001","90","","2039.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aceclofenac-cytosine","","- C20 H18 Cl2 N4 O5 -","- C20 H18 Cl2 N4 O5 -","- C80 H72 Cl8 N16 O20 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0389","0.0361","","","0.0861","0.088","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507584","9.1898","0.0011","5.5983","0.0007","34.89","0.004","90","","94.038","0.002","90","","1790.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Aceclofenac-piperazine(0.5)","","- C18 H18 Cl2 N2 O4 -","- C18 H18 Cl2 N2 O4 -","- C72 H72 Cl8 N8 O16 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0573","0.0499","","","0.1079","0.1112","","","","","","1.13","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507585","7.5085","0.0005","11.9908","0.0008","22.2488","0.0015","90","","91.569","0.001","90","","2002.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Cl4 N4 O9 -","- C42 H36 Cl4 N4 O9 -","- C84 H72 Cl8 N8 O18 -","2","0.5","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0307","0.0293","","","0.0759","0.077","","","","","","1.056","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507586","10.3411","0.0013","14.521","0.002","10.5314","0.0014","90","","100.291","0.004","90","","1556","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0424","0.0334","","","0.0811","0.0867","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507587","9.8544","0.0014","16.314","0.002","9.9754","0.0012","90","","98.304","0.008","90","","1586.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1119","0.0542","","","0.1197","0.1424","","","","","","0.996","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507588","10.442","0.001","17.7328","0.0015","15.5165","0.0013","90","","126.279","0.005","90","","2316.2","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine 2-butoxyethanol","","","- C23 H34 N4 O2 S -","- C23 H34 N4 O2 S -","- C92 H136 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0659","0.0389","","","0.0856","0.0989","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507589","12.7244","0.0009","11.7538","0.0008","16.0067","0.0011","90","","94.782","0.002","90","","2385.6","0.3","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","olanzapine 2,2,2-trifluoroethanol","","","- C21 H26 F6 N4 O2 S -","- C21 H26 F6 N4 O2 S -","- C84 H104 F24 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0976","0.0579","","","0.1358","0.1557","","","","","","1.061","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507590","10.0427","0.0011","12.743","0.0013","14.3886","0.0015","90","","92.436","0.004","90","","1839.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine acetic acid","","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C76 H96 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0356","0.0305","","","0.0893","0.0995","","","","","","1.141","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507591","9.8393","0.0016","13.278","0.002","14.588","0.002","90","","96.328","0.007","90","","1894.3","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine ethyleneglycol","","","- C19 H26 N4 O2 S -","- C19 H26 N4 O2 S -","- C76 H104 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1061","0.0638","","","0.1485","0.1704","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507592","10.3489","0.0018","13.003","0.002","13.87","0.002","90","","92.496","0.006","90","","1864.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine ethanol","","","- C19 H26 N4 O S -","- C19 H26 N4 O S -","- C76 H104 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0776","0.0414","","","0.0828","0.0944","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507593","14.207","0.0001","12.2211","0.0009","14.55","0.001","90","","109.239","0.003","90","","2385.2","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine TBMe hydrate","","","- C22 H36 N4 O3 S -","- C22 H36 N4 O3 S -","- C88 H144 N16 O12 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0647","0.0493","","","0.1304","0.1425","","","","","","1.024","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4507594","13.4466","0.001","12.3833","0.0009","14.5522","0.0009","90","","104.839","0.002","90","","2342.3","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine-2-pentanol hydrate","","","- C22 H34 N4 O2 S -","- C22 H34 N4 O2 S -","- C88 H136 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0553","0.044","","","0.1172","0.1259","","","","","","1.035","","","","has coordinates","179611","2020-10-21","18:00:00",""
"4507595","14.817","0.001","12.623","0.001","14.461","0.001","90","","113.36","0.02","90","","2483","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine N,N,N-triethylamine hydrate","","","- C20 H31.5 N4.5 O2 S -","- C20 H31.5 N4.5 O2 S -","- C80 H126 N18 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.132","0.0924","","","0.2892","0.3308","","","","","","1.277","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507596","14.2491","0.0009","12.3838","0.0008","27.1418","0.0017","90","","99.052","0.002","90","","4729.7","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine t-butanol hydrate","","","- C21 H35 N4 O3.5 S -","- C21 H35 N4 O3.5 S -","- C168 H280 N32 O28 S8 -","8","2","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0672","0.0467","","","0.1274","0.1422","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507597","12.342","0.0017","13.3559","0.0018","14.63","0.002","105.883","0.006","90.29","0.006","92.005","0.006","2317.8","0.6","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine 3-methyl 1-butanol hydrate","","","- C22 H34 N4 O2 S -","- C22 H34 N4 O2 S -","- C88 H136 N16 O8 S4 -","4","2","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0936","0.0822","","","0.2274","0.2397","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507598","12.2637","0.0011","14.1146","0.001","14.1783","0.0012","63.985","0.003","65.649","0.004","65.437","0.004","1924.9","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine 1.4-butanediol hydrate","","","- C38 H54 N8 O4 S2 -","- C38 H54 N8 O4 S2 -","- C76 H108 N16 O8 S4 -","2","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0452","0.0347","","","0.0859","0.092","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507599","14.9885","0.0009","12.7558","0.0007","19.8567","0.0012","90","","93.348","0.002","90","","3789.9","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine N,N dimethylforamide hydrate","","","- C37 H51 N9 O3 S2 -","- C37 H51 N9 O3 S2 -","- C148 H204 N36 O12 S8 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0674","0.04","","","0.097","0.1137","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507600","14.8824","0.0007","12.7289","0.0007","20.3218","0.0011","90","","93.465","0.002","90","","3842.7","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine pyridine hydrate","","","- C39 H49 N9 O2 S2 -","- C39 H49 N9 O2 S2 -","- C156 H196 N36 O8 S8 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0519","0.0345","","","0.0851","0.0957","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507601","24.2355","0.001","12.5913","0.0005","15.0767","0.0006","90","","124.999","0.001","90","","3768.8","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzpaine tetrahydrofuran hydrate","","","- C19 H26 N4 O1.5 S -","- C19 H26 N4 O1.5 S -","- C152 H208 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0484","0.042","","","0.1083","0.1146","","","","","","1.026","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507602","24.447","0.003","12.566","0.0016","14.9591","0.0019","90","","125.421","0.005","90","","3744.9","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,4-dioxan hydrate","","","- C19 H24 N4 O2 S -","- C19 H24 N4 O2 S -","- C152 H192 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1131","0.0808","","","0.2103","0.2372","","","","","","1.026","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507603","24.226","0.002","12.5269","0.0012","15.0737","0.0015","90","","124.976","0.004","90","","3748.3","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine acetone hydrate","","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.097","0.0463","","","0.0985","0.1183","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507604","24.575","0.006","12.429","0.003","15.006","0.003","90","","125.255","0.007","90","","3742.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1-butanol hydrate","","","- C19 H27 N4 O1.5 S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.051","0.0465","","","0.1168","0.1212","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507605","24.381","0.002","12.3856","0.0009","15.0565","0.0014","90","","125.321","0.007","90","","3709.7","0.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine acetonitrile hydrate","","","- C19 H22 N5 O S -","- C18.825 H22 N4.675 O S -","- C150.6 H176 N37.4 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0673","0.0575","","","0.1793","0.1951","","","","","","1.144","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507606","24.352","0.003","12.3706","0.0013","15.0182","0.0018","90","","125.531","0.005","90","","3681.8","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine nitromethane hydrate","","","- C17 H22 N4 O S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0366","0.0325","","","0.0983","0.101","","","","","","1.117","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507607","24.4675","0.0013","12.2298","0.0008","15.1073","0.0008","90","","125.675","0.002","90","","3672.3","0.4","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,2-dimethoxyethane hydrate","","","- C19 H27 N4 O2 S -","- C17 H22 N4 O S -","- C136 H176 N32 O8 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0899","0.053","","","0.1235","0.1334","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507608","25.0869","0.0008","12.3821","0.0004","15.1983","0.0005","90","","126.872","0.001","90","","3776.7","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 2-methoxyethanol hydrate","","","- C18.5 H26 N4 O2 S -","- C18.5 H26 N4 O2 S -","- C148 H208 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0802","0.0682","","","0.179","0.1905","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507609","24.899","0.004","12.5316","0.0019","15.243","0.002","90","","126.99","0.005","90","","3799","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine methylacetate hydrate","","","- C18.5 H25 N4 O2 S -","- C18.5 H25 N4 O2 S -","- C148 H200 N32 O16 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0553","0.0448","","","0.1161","0.1245","","","","","","1.044","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507610","24.704","0.002","12.1883","0.001","15.1242","0.0012","90","","125.206","0.003","90","","3720.9","0.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1,2 propanediol hydrate","","","- C18.5 H23 N4 O2.25 S -","- C18.5 H23 N4 O2.25 S -","- C148 H184 N32 O18 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0692","0.0532","","","0.1404","0.1541","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507611","24.4748","0.0013","12.3515","0.0006","15.1109","0.0008","90","","125.649","0.001","90","","3712","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine 1-propanol hydrate","","","- C18.5 H26 N4 O1.5 S -","- C18.5 H26 N4 O1.5 S -","- C148 H208 N32 O12 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.039","0.0336","","","0.0872","0.0908","","","","","","1.04","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507612","24.94","0.006","12.156","0.003","14.867","0.003","90","","124.928","0.006","90","","3695.4","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","olanzapine higher hydrate","","","- C17 H25 N4 O2.5 S -","- C17 H25 N4 O2.5 S -","- C136 H200 N32 O20 S8 -","8","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.1009","0.0695","","","0.1864","0.2102","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507613","10.1493","0.0009","12.2895","0.001","14.0944","0.0013","90","","91.905","0.005","90","","1757","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine methanol","","","- C18 H24 N4 O S -","- C18 H24 N4 O S -","- C72 H96 N16 O4 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0669","0.0392","","","0.0874","0.1002","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507614","9.846","0.002","12.672","0.003","14.384","0.003","90","","92.724","0.009","90","","1792.6","0.7","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","olanzapine dihydrate","","","- C17 H24 N4 O2 S -","- C17 H24 N4 O2 S -","- C68 H96 N16 O8 S4 -","4","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0561","0.0385","","","0.0904","0.0981","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507615","9.6671","0.0015","11.507","0.0017","16.697","0.002","103.991","0.006","96.989","0.006","99.825","0.006","1749.9","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","olanzapine dichloromethane","","","- C35 H42 Cl2 N8 S2 -","- C35 H42 Cl2 N8 S2 -","- C70 H84 Cl4 N16 S4 -","2","1","","Bhardwaj, Rajni M.; Price, Louise S.; Price, Sarah L.; Reutzel-Edens, Susan M.; Miller, Gary J.; Oswald, Iain D. H.; Johnston, Blair F.; Florence, Alastair J.","Exploring the Experimental and Computed Crystal Energy Landscape of Olanzapine","Crystal Growth & Design","2013","13","4","1602","","10.1021/cg301826s","","","0.71073","MoKα","","0.0311","0.0275","","","0.0696","0.0726","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507616","6.3725","0.0004","7.7363","0.0005","12.7332","0.001","74.359","0.006","83.755","0.006","83.938","0.005","599","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N Ni O6 -","- C13 H7 N Ni O6 -","- C26 H14 N2 Ni2 O12 -","2","1","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0438","0.0367","","","0.1083","0.1122","","","","","","1.248","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507617","10.7647","0.0002","10.7647","0.0002","26.7578","0.001","90","","90","","120","","2685.25","0.12","298","2","298","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 N3 Ni2 O12.5 -","- C26 H14 N2 Ni2 O11 -","- C78 H42 N6 Ni6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0287","0.0275","","","0.0757","0.0763","","","","","","1.069","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507618","11.0778","0.0003","11.0778","0.0003","27.8793","0.0015","90","","90","","120","","2962.9","0.2","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C29 H27 Co2 N3 O12.5 -","- C26 H14 Co2 N2 O11 -","- C78 H42 Co6 N6 O33 -","3","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0618","0.0495","","","0.1406","0.1485","","","","","","1.088","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507619","9.7011","0.0005","9.7984","0.0005","14.9629","0.0007","89.705","0.004","79.165","0.004","68.68","0.005","1298.24","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H41 N4 Ni3 O22 -","- C52 H28 N4 Ni3 O22 -","- C52 H28 N4 Ni3 O22 -","1","0.5","","Hou, Juan-Juan; Zhang, Rong; Qin, Ying-Lian; Zhang, Xian-Ming","From (3,6)-Connectedkgd,chiralanhto (3,8)-connectedtfz-dNets in Low Nuclear Metal Cluster-Based Networks with Triangular Pyridinedicarboxylate Ligand","Crystal Growth & Design","2013","13","4","1618","","10.1021/cg301827p","","","0.71073","MoKα","","0.0703","0.0646","","","0.1921","0.1993","","","","","","1.07","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507620","13.9345","0.0004","6.8516","0.0002","25.1563","0.0005","90","","133.798","0.001","90","","1733.56","0.08","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid","","- C19 H22 F N3 O3 -","- C19 H22 F N3 O3 -","- C76 H88 F4 N12 O12 -","4","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0353","0.0324","","","0.0912","0.0935","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507621","8.037","0.003","11.03","0.008","13.186","0.008","79.17","0.005","78.873","0.01","88.102","0.01","1126.5","1.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","1-Cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-1,4-dihydro-4-oxo-3- quinolonecarboxylic acid hexahydrate","","- C19 H34 F N3 O9 -","- C19 H34 F N3 O9 -","- C38 H68 F2 N6 O18 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.1582","0.0777","","","0.2027","0.2523","","","","","","1.044","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507622","7.2779","0.0004","12.2704","0.0008","14.5883","0.0009","95.722","0.004","99.508","0.004","102.931","0.004","1239.57","0.13","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H32 F N3 O8 -","- C23 H32 F N3 O8 -","- C46 H64 F2 N6 O16 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.103","0.0581","","","0.1506","0.1853","","","","","","0.995","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507623","7.0956","0.0007","12.4527","0.0012","13.072","0.0015","87.337","0.007","75.913","0.007","84.671","0.007","1115.1","0.2","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","x-ray","0.71073","MoKα","","0.1892","0.068","","","0.136","0.1918","","","","","","0.935","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507624","7.0198","0.001","9.3767","0.0019","17.249","0.004","85.137","0.003","83.594","0.003","73.497","0.004","1080.1","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H29 F N3 O8 -","- C20 H29 F N3 O8 -","- C40 H58 F2 N6 O16 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0701","0.0472","","","0.1095","0.1223","","","","","","1.028","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507625","7.0383","0.0019","13.397","0.004","13.513","0.004","119.633","0.008","90.036","0.009","101.663","0.01","1077.1","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H28 F N3 O7 -","- C23 H28 F N3 O7 -","- C46 H56 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.1525","0.0776","","","0.1819","0.2226","","","","","","0.948","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507626","8.7779","0.0003","9.8015","0.0004","12.8782","0.0004","106.472","0.002","90.408","0.002","91.071","0.002","1062.25","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H31 F N4 O6 -","- C19 H31 F N4 O6 -","- C38 H62 F2 N8 O12 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0595","0.0379","","","0.0949","0.1147","","","","","","1.088","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507627","6.9067","0.0007","13.4563","0.0014","13.6479","0.0013","119.469","0.004","100.139","0.005","92.049","0.006","1075.93","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 F N3 O7 -","- C23 H26 F N3 O7 -","- C46 H52 F2 N6 O14 -","2","1","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Structural Landscape of Pure Enrofloxacin and Its Novel Salts: Enhanced Solubility for Better Pharmaceutical Applicability","Crystal Growth & Design","2013","13","4","1626","","10.1021/cg301831s","","","0.71073","MoKα","","0.0522","0.0389","","","0.0935","0.1009","","","","","","1.03","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507628","28.378","0.009","15.978","0.005","21.376","0.012","90","","123.391","0.014","90","","8093","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92 H92 N8 O16 -","- C92 H92 N8 O16 -","- C368 H368 N32 O64 -","4","0.5","","Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min","Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization","Crystal Growth & Design","2013","13","3","992","","10.1021/cg301854f","","","0.71073","MoKα","","0.095","0.0538","","","0.1417","0.169","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507629","25.6177","0.0008","15.9531","0.0006","21.9422","0.0007","90","","107.82","0.002","90","","8537.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H96 N8 O16 -","- C96 H96 N8 O16 -","- C384 H384 N32 O64 -","4","1","","Lee, Eunji; Ju, Huiyeong; Lee, Shim Sung; Park, Ki-Min","Tubular Arrangement of 1,3-Alternate Calix[4]arene with Bipyridines: A Platform for [2 + 2] Photocyclization","Crystal Growth & Design","2013","13","3","992","","10.1021/cg301854f","","","0.71073","MoKα","","0.1451","0.0838","","","0.1923","0.2249","","","","","","1.027","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507630","9.6478","0.001","12.1746","0.0013","12.1908","0.0013","110.261","0.001","99.484","0.001","103.182","0.001","1260.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.0612","0.0537","","","0.156","0.1645","","","","","","1.005","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507631","9.611","0.008","12.083","0.008","12.148","0.008","64.229","0.007","75.943","0.007","77.59","0.008","1222.7","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","- C48 H38 N12 O14 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.1291","0.0726","","","0.1868","0.2176","","","","","","0.959","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507632","9.504","0.003","11.959","0.004","11.974","0.004","115.662","0.004","90.21","0.005","102.43","0.004","1190.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H38 N12 O10 Zn2 -","- C48 H38 N12 O10 Zn2 -","- C48 H38 N12 O10 Zn2 -","1","0.5","","He, Xiang; Lu, Xiao-Peng; Li, Ming-Xing; Morris, Russell E.","Tuning Different Kinds of Entangled Networks Formed by Isomers of Bis(1,2,4-triazol-1-ylmethyl)benzene and a Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","4","1649","","10.1021/cg3018562","","","0.71073","MoKα","","0.082","0.0604","","","0.1602","0.1742","","","","","","1.064","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507633","29.814","0.002","13.0074","0.0009","19.1298","0.0012","90","","90","","90","","7418.6","0.9","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H34 Cd N4 O7 -","- C41 H34 Cd N4 O7 -","- C328 H272 Cd8 N32 O56 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0672","0.0447","","","0.1267","0.1341","","","","","","0.975","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507634","30.546","0.002","12.7113","0.0008","17.9776","0.0012","90","","90","","90","","6980.3","0.8","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C41 H32 N4 O6 Zn -","- C41 H32 N4 O6 Zn -","- C328 H256 N32 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0737","0.0494","","","0.1354","0.1538","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507635","13.5383","0.001","18.7314","0.0014","26.43","0.0019","90","","90","","90","","6702.4","0.9","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H31 N5 O6 Zn -","- C37 H31 N5 O6 Zn -","- C296 H248 N40 O48 Zn8 -","8","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0762","0.0619","","","0.1896","0.1997","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507636","10.5949","0.0006","31.6554","0.0018","10.9487","0.0006","90","","106.847","0.001","90","","3514.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 Co N4 O6 -","- C41 H32 Co N4 O6 -","- C164 H128 Co4 N16 O24 -","4","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0515","0.0386","","","0.0991","0.1111","","","","","","1.052","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507637","17.5542","0.001","9.9228","0.0006","23.9223","0.0014","90","","91.92","0.001","90","","4164.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H30 Co N4 O5 -","- C41 H30 Co N4 O5 -","- C164 H120 Co4 N16 O20 -","4","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0541","0.0433","","","0.1399","0.1512","","","","","","1.087","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507638","11.4122","0.0016","11.4772","0.0016","13.373","0.0018","87.134","0.002","88.585","0.002","85.892","0.002","1744.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Co N4 O4 -","- C41 H28 Co N4 O4 -","- C82 H56 Co2 N8 O8 -","2","1","","Zhang, Ming-Dao; Qin, Ling; Yang, Hai-Tao; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Series of Metal‒Organic Frameworks Including Novel Architectural Features Based on a Star-like Tri(4-pyridylphenyl)amine Ligand","Crystal Growth & Design","2013","13","5","1961","","10.1021/cg3018612","","","0.71073","MoKα","","0.0799","0.0703","","","0.1946","0.1974","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507639","10.877","0.005","13.682","0.005","16.048","0.006","79.096","0.005","74.69","0.005","85.081","0.006","2260.3","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H68 N10 O13 Sn2 -","- C32 H54 N10 O13 Sn2 -","- C64 H108 N20 O26 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0753","0.0571","","","0.1501","0.1818","","","","","","1.108","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507640","13.88","0.005","30.531","0.006","16.747","0.005","90","","101.941","0.005","90","","6943","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H107 N15 O7 Sn3 -","- C60 H107 N15 O7 Sn3 -","- C240 H428 N60 O28 Sn12 -","4","1","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0873","0.0556","","","0.1238","0.1424","","","","","","1.014","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507641","10.903","0.005","11.744","0.005","12.783","0.006","104.306","0.006","102.13","0.005","101.758","0.005","1493.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H90 N10 O8 Sn4 -","- C48 H90 N10 O8 Sn4 -","- C48 H90 N10 O8 Sn4 -","1","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71073","MoKα","","0.0755","0.0636","","","0.1723","0.1858","","","","","","1.047","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507642","11.648","0.005","12.78","0.005","14.126","0.005","73.159","0.005","69.017","0.005","78.508","0.005","1868.4","1.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 N20 O10 Sn4 -","- C64 H104 N20 O10 Sn4 -","- C64 H104 N20 O10 Sn4 -","1","0.5","","Chandrasekhar, Vadapalli; Kundu, Subrata; Kumar, Jitendra; Verma, Sandeep; Gopal, Kandasamy; Chaturbedi, Amaresh; Subramaniam, Kuppuswamy","Supramolecular Signatures of Adenine-Containing Organostannoxane Assemblies","Crystal Growth & Design","2013","13","4","1665","","10.1021/cg3018776","","","0.71069","MoKα","","0.0334","0.0288","","","0.0766","0.0801","","","","","","1.061","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507643","8.5206","0.0003","7.8048","0.0003","18.6978","0.0005","90","","90.034","0.003","90","","1243.43","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 N2 S -","- C4 H10 N2 S -","- C32 H80 N16 S8 -","8","2","","Näther, Christian; Jess, Inke; Jones, Peter G.; Taouss, Christina; Teschmit, Nicole","Structural, Thermodynamic, and Kinetic Aspects of the Polymorphism of Trimethylthiourea: The Influence of Kinetics on the Transformations between Polymorphs","Crystal Growth & Design","2013","13","4","1676","","10.1021/cg400005d","","","0.71073","MoKα","","0.0306","0.0253","","","0.0608","0.0632","","","","","","1.06","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507644","4.9388","0.0002","11.653","0.0004","11.0955","0.0005","90","","101.202","0.004","90","","626.4","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 N2 S -","- C4 H10 N2 S -","- C16 H40 N8 S4 -","4","1","","Näther, Christian; Jess, Inke; Jones, Peter G.; Taouss, Christina; Teschmit, Nicole","Structural, Thermodynamic, and Kinetic Aspects of the Polymorphism of Trimethylthiourea: The Influence of Kinetics on the Transformations between Polymorphs","Crystal Growth & Design","2013","13","4","1676","","10.1021/cg400005d","","","0.71073","MoKα","","0.0309","0.0249","","","0.0589","0.0616","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507645","9.7664","0.0006","10.2018","0.0006","14.8809","0.0012","88.89","0.002","83.534","0.002","80.719","0.003","1453.94","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 N10 O12 Sn -","- C64 H52 N10 O12 Sn -","- C64 H52 N10 O12 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0783","0.0737","","","0.1819","0.1863","","","","","","1.045","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507646","9.755","0.0002","11.6924","0.0003","14.915","0.0004","102.883","0.0011","94.2657","0.0012","91.9333","0.0016","1651.56","0.07","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 N8 O16 S4 Sn -","- C66 H58 N8 O16 S4 Sn -","- C66 H58 N8 O16 S4 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0787","0.0561","","","0.1188","0.1299","","","","","","1.029","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507647","8.9854","0.0003","11.4407","0.0003","14.6941","0.0004","91.122","0.001","93.739","0.001","95.604","0.001","1499.61","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H36 N10 O8 Sn -","- C56 H36 N10 O8 Sn -","- C56 H36 N10 O8 Sn -","1","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0297","0.0289","","","0.0763","0.0769","","","","","","1.042","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507648","9.4016","0.0002","30.7877","0.0008","11.8342","0.0003","90","","90.9904","0.0018","90","","3424.94","0.14","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H48 N8 O13 Sn -","- C58 H48 N8 O13 Sn -","- C116 H96 N16 O26 Sn2 -","2","1","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.1192","0.0704","","","0.1483","0.1651","","","","","","0.937","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507649","25.487","0.0012","12.271","0.0007","21.9787","0.0018","90","","120.463","0.001","90","","5925","0.7","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H32 Br2 N8 O8 Sn -","- C56 H32 Br2 N8 O8 Sn -","- C224 H128 Br8 N32 O32 Sn4 -","4","0.5","","Patra, Ranjan; Titi, Hatem M.; Goldberg, Israel","Crystal Engineering of Molecular Networks: Tailoring Hydrogen-Bonding Self-Assembly of Tin-Tetrapyridylporphyrins with Multidentate Carboxylic Acids As Axial Ligands","Crystal Growth & Design","2013","13","3","1342","","10.1021/cg400007y","","","0.71073","MoKα","","0.0972","0.0597","","","0.1669","0.1799","","","","","","1.032","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507650","46.414","0.016","5.908","0.002","33.32","0.009","90","","128.581","0.016","90","","7142","4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H50 Cd3 N2 O23 -","- C50 H50 Cd3 N2 O23 -","- C200 H200 Cd12 N8 O92 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0908","0.0553","","","0.0961","0.1011","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507651","17.278","0.003","11.0227","0.0018","18.58","0.003","90","","116.817","0.002","90","","3158","0.9","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C62 H50 Cd3 N8 O22 -","- C62 H50 Cd3 N8 O22 -","- C124 H100 Cd6 N16 O44 -","2","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0499","0.0418","","","0.0875","0.0896","","","","","","1.059","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507652","36.68","0.015","5.819","0.002","33.079","0.014","90","","90","","90","","7060","5","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C67 H70 Cd3 N6 O23 -","- C67 H70 Cd3 N6 O23 -","- C268 H280 Cd12 N24 O92 -","4","1","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.049","0.0429","","","0.104","0.1066","","","","","","1.017","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507653","16.488","0.003","9.4509","0.0015","27.363","0.004","90","","102.758","0.003","90","","4158.6","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Mn3 O20 -","- C42 H30 Mn3 O20 -","- C168 H120 Mn12 O80 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0582","0.0448","","","0.1007","0.1051","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507654","27.43","0.004","21.601","0.003","9.3796","0.0012","90","","106.412","0.002","90","","5331.1","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Mn3 N2 O20 -","- C48 H40 Mn3 N2 O20 -","- C192 H160 Mn12 N8 O80 -","4","0.5","","Cui, Jiehu; Yang, Qingxiang; Li, Yizhi; Guo, Zijian; Zheng, Hegen","Syntheses, Structures, Photochemical and Magnetic Properties of Novel Divalent Cd/Mn Coordination Polymers Based on a Semirigid Tripodal Carboxylate Ligand","Crystal Growth & Design","2013","13","4","1694","","10.1021/cg400015v","","","0.71073","MoKα","","0.0782","0.0496","","","0.115","0.125","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507655","11.182","0.0016","12.3862","0.0017","14.411","0.002","90.637","0.013","105.444","0.016","90.101","0.015","1923.7","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.1852","0.0756","","","0.2046","0.2607","","","","","","0.89","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507656","11.116","0.0012","12.3805","0.0014","14.3352","0.0014","90.89","0.009","105.252","0.012","90.301","0.01","1903","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","1.5418","CuKα","","0.112","0.0814","","","0.2576","0.2959","","","","","","1.05","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507657","11.12","0.003","12.377","0.003","14.302","0.003","90.989","0.003","105.2","0.03","90.13","0.02","1899.2","0.8","252","0.2","252","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C76 H128 O12 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.117","0.0579","","","0.1491","0.1632","","","","","","0.839","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507658","5.5767","0.0007","11.307","0.002","14.36","0.003","85.31","0.016","79.891","0.013","87.302","0.013","887.9","0.3","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.2033","0.067","","","0.1401","0.1843","","","","","","0.814","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507659","5.6256","0.0002","11.3866","0.0005","14.4819","0.0006","85.347","0.004","79.642","0.003","87.531","0.004","909.15","0.06","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","1.5418","CuKα","","0.0442","0.0399","","","0.1085","0.1128","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507660","5.6643","0.0008","11.432","0.0018","14.604","0.002","85.208","0.013","79.191","0.013","87.602","0.012","925.3","0.2","245","0.2","245","0.2","","","","","","","","3","P -1","-P 1","2","","dipivaloyl-3-cyclopentylpropanoylmethane","","- C19 H32 O3 -","- C19 H32 O3 -","- C38 H64 O6 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Structural and Thermodynamic Insight into Solid State Phase Transition Mechanism of a 1,3,3′-Triketone","Crystal Growth & Design","2013","13","4","1703","","10.1021/cg400016z","","","0.71073","MoKα","","0.0711","0.0441","","","0.1225","0.1281","","","","","","0.962","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507661","9.106","0.005","9.342","0.005","16.542","0.005","81.937","0.005","89.035","0.005","63.45","0.005","1244.7","1","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H52 Ag2 N6 O8 S2 -","- C50 H52 Ag2 N6 O8 S2 -","- C50 H52 Ag2 N6 O8 S2 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0555","0.0445","","","0.1347","0.1502","","","","","","1.075","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507662","10.423","0.011","10.693","0.012","10.805","0.012","77.758","0.013","77.448","0.013","80.607","0.013","1140","2","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Ag3 Cl3 N6 O13 -","- C36 H36 Ag3 Cl3 N6 O13 -","- C36 H36 Ag3 Cl3 N6 O13 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71073","MoKα","","0.0597","0.0478","","","0.1465","0.1554","","","","","","1.067","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507663","25.339","0.005","6.221","0.005","26.305","0.005","90","0.005","95.545","0.005","90","0.005","4127","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Ag N4 O3 -","- C21 H20 Ag N4 O3 -","- C168 H160 Ag8 N32 O24 -","8","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0417","0.0292","","","0.0643","0.0709","","","","","","1.027","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507664","12.774","0.005","10.38","0.005","16.042","0.005","90","0.005","95.09","0.005","90","0.005","2118.7","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Ag N4 O3 -","- C21 H20 Ag N4 O3 -","- C84 H80 Ag4 N16 O12 -","4","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0461","0.0318","","","0.0766","0.0859","","","","","","1.022","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507665","7.5848","0.0011","8.8251","0.0013","14.844","0.002","73.986","0.002","81.817","0.002","67.748","0.002","883.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Ag Cl N6 O4 -","- C36 H34 Ag Cl N6 O4 -","- C36 H34 Ag Cl N6 O4 -","1","0.5","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71073","MoKα","","0.0467","0.0378","","","0.1024","0.1079","","","","","","1.058","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507666","15.619","0.005","16.746","0.005","14.115","0.005","90","0.005","102.196","0.005","90","0.005","3609","2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Ag F6 N6 P -","- C36 H34 Ag F6 N6 P -","- C144 H136 Ag4 F24 N24 P4 -","4","1","","Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping","Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence","Crystal Growth & Design","2013","13","5","1978","","10.1021/cg400025j","","","0.71069","MoKα","","0.0828","0.0446","","","0.1139","0.1439","","","","","","1.025","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507667","16","0.002","16","0.002","7.5","0.0015","90","","90","","120","","1662.8","0.4","293","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C48 H48 Mg6 N9 O30 -","3","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.9077","synchrotron","","0.0535","0.0509","","","0.1404","0.1423","","","","","","1.071","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507668","27.384","0.0006","27.384","0.0006","9.114","0.0004","90","","90","","120","","5918.8","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H21 Mg2 N3 O10 -","- C16 H16 Mg2 N3 O10 -","- C144 H144 Mg18 N27 O90 -","9","0.5","","Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong","Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster","Crystal Growth & Design","2013","13","5","1807","","10.1021/cg4000318","","","0.71073","MoKα","","0.1035","0.0768","","","0.2388","0.2543","","","","","","1.052","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507669","5.8197","0.0007","7.382","0.0008","9.6242","0.0011","82.784","0.007","75.451","0.007","79.003","0.007","391.54","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N O3 -","- C6 H13 N O3 -","- C12 H26 N2 O6 -","2","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0628","0.0437","","","0.1141","0.127","","","","","","1.059","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507670","9.075","0.003","10.526","0.004","10.954","0.004","66.29","0.02","83.87","0.02","88.28","0.02","952.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H13 N O5 -","- C8 H13 N O5 -","- C32 H52 N4 O20 -","4","2","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0989","0.0495","","","0.1225","0.1475","","","","","","0.935","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507671","14.253","0.016","17.64","0.02","18.279","0.017","90","","120.75","0.07","90","","3950","8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H30 N2 O10 -","- C16 H30 N2 O10 -","- C128 H240 N16 O80 -","8","2","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.1677","0.071","","","0.1652","0.2249","","","","","","0.96","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507672","13.737","0.004","9.975","0.003","8.836","0.002","90","","90","","90","","1210.8","0.6","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","1,2-dimethylimidazolium chloride","","","- C10 H17 Cl N4 -","- C10 H17 Cl N4 -","- C40 H68 Cl4 N16 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0224","0.0222","","","0.0593","0.0596","","","","","","1.038","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507673","9.782","0.003","14.397","0.005","13.986","0.005","90","","105.785","0.006","90","","1895.4","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O6 -","- C20 H22 N2 O6 -","- C80 H88 N8 O24 -","4","1","","Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.","Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior","Crystal Growth & Design","2013","13","3","965","","10.1021/cg4000439","","","0.71073","MoKα","","0.0552","0.0447","","","0.1202","0.1274","","","","","","1.037","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507674","7.679","0.002","8.747","0.002","15.342","0.004","97.427","0.003","97.273","0.003","106.38","0.003","965.9","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F2 N2 O7 Zn -","- C18 H15 F2 N2 O7 Zn -","- C36 H30 F4 N4 O14 Zn2 -","2","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0564","0.0396","","","0.0966","0.1038","","","","","","1.106","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507675","18.241","0.004","14.868","0.003","19.41","0.004","90","","90","","90","","5264.1","1.9","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H22 N4 O6 Zn -","- C28 H22 N4 O6 Zn -","- C224 H176 N32 O48 Zn8 -","8","2","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0762","0.0492","","","0.1251","0.1401","","","","","","1.033","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507676","29.924","0.003","10.8697","0.0012","18.562","0.002","90","","116.496","0.001","90","","5403.4","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cd F4 N4 O8 -","- C28 H20 Cd F4 N4 O8 -","- C224 H160 Cd8 F32 N32 O64 -","8","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0248","0.0238","","","0.0643","0.0649","","","","","","1.074","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507677","29.757","0.009","10.905","0.003","18.485","0.006","90","","115.391","0.003","90","","5419","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H24 Cd N4 O8 -","- C28 H24 Cd N4 O8 -","- C224 H192 Cd8 N32 O64 -","8","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Chen, Qun; Du, Miao","Coordination Assembly of ZnII/CdIITerephthalate with Bis-Pyridinecarboxamide Tectons: Establishing Net Entanglements from [3 + 3] Interpenetration to High-Connected Self-Penetration","Crystal Growth & Design","2013","13","3","996","","10.1021/cg4000445","","","0.71073","MoKα","","0.0354","0.0307","","","0.0867","0.0928","","","","","","1.061","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507678","10.5203","0.0012","10.9798","0.0011","12.6131","0.0012","90.891","0.008","106.074","0.009","91.642","0.009","1399","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O4 S2 -","- C13 H11 N3 O4 S2 -","- C52 H44 N12 O16 S8 -","4","2","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0584","0.042","","","0.0922","0.1015","","","","","","1.025","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507679","10.482","0.004","8.811","0.003","19.127","0.01","90","","99.38","0.04","90","","1742.9","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 N3 O6 S2 -","- C15 H15 N3 O6 S2 -","- C60 H60 N12 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1896","0.0761","","","0.1393","0.2155","","","","","","0.981","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507680","9.0697","0.0009","10.8773","0.0011","11.794","0.0009","105.197","0.008","96.812","0.007","107.752","0.009","1044.12","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N3 O6 S2 -","- C20 H17 N3 O6 S2 -","- C40 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1196","0.0579","","","0.1061","0.1225","","","","","","0.954","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507681","7.1944","0.0004","11.9693","0.0011","12.0865","0.001","100.162","0.007","90.187","0.006","102.418","0.006","999.58","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O6 S2 -","- C19 H17 N3 O6 S2 -","- C38 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1146","0.0657","","","0.1375","0.1633","","","","","","1.043","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507682","12.08","0.003","14.546","0.003","9.954","0.002","90","","110.05","0.03","90","","1643.1","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O6 S2 -","- C14 H13 N3 O6 S2 -","- C56 H52 N12 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1358","0.0732","","","0.1358","0.1561","","","","","","1.103","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507683","10.636","0.0018","15.312","0.003","10.4996","0.0018","90","","116.543","0.002","90","","1529.7","0.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 Cl N3 O4 S2 -","- C13 H12 Cl N3 O4 S2 -","- C52 H48 Cl4 N12 O16 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0397","0.0357","","","0.0901","0.0931","","","","","","1.06","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507684","7.981","0.006","9.725","0.007","12.221","0.009","87.485","0.011","74.48","0.011","81.915","0.01","904.8","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 N3 O7 S3 -","- C14 H15 N3 O7 S3 -","- C28 H30 N6 O14 S6 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.098","0.0804","","","0.2142","0.2292","","","","","","1.074","","","","has coordinates,has disorder","179612","2020-10-21","18:00:00",""
"4507685","8.9532","0.001","9.1395","0.0013","21.195","0.002","90","","97.897","0.009","90","","1717.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O6 S2 -","- C14 H14 N4 O6 S2 -","- C56 H56 N16 O24 S8 -","4","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0625","0.0467","","","0.1307","0.1379","","","","","","1.107","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507686","8.7424","0.0013","10.352","0.002","11.639","0.002","71.707","0.017","73.048","0.015","86.877","0.014","955.9","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 N3 O6 S2 -","- C16 H17 N3 O6 S2 -","- C32 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1499","0.058","","","0.0936","0.1128","","","","","","0.869","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507687","8.2448","0.0006","8.3847","0.0006","13.2691","0.0009","76.063","0.006","75.432","0.006","86.851","0.006","861.65","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N4 O4 S2 -","- C15 H16 N4 O4 S2 -","- C30 H32 N8 O8 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0752","0.0441","","","0.0954","0.1046","","","","","","0.946","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507688","9.2566","0.0007","9.4512","0.0011","11.6875","0.0012","75.01","0.01","87.291","0.007","89.025","0.008","986.58","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O7 S2 -","- C19 H17 N3 O7 S2 -","- C38 H34 N6 O14 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.0978","0.08","","","0.2429","0.2558","","","","","","1.117","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507689","9.117","0.001","9.8388","0.0012","11.424","0.0012","106.074","0.01","90.432","0.009","93.503","0.01","982.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N3 O6 S2 -","- C19 H17 N3 O6 S2 -","- C38 H34 N6 O12 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.1415","0.0905","","","0.2183","0.2615","","","","","","0.981","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507690","9.2338","0.0011","11.074","0.002","11.864","0.002","114.225","0.017","95.085","0.012","104.375","0.013","1046.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H17 N3 O7 S2 -","- C20 H17 N3 O7 S2 -","- C40 H34 N6 O14 S4 -","2","1","","Bolla, Geetha; Sanphui, Palash; Nangia, Ashwini","Solubility Advantage of Tenoxicam Phenolic Cocrystals Compared to Salts","Crystal Growth & Design","2013","13","5","1988","","10.1021/cg4000457","","","0.71073","MoKα","","0.2426","0.0751","","","0.1107","0.1705","","","","","","0.906","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507691","6.8795","0.0003","9.798","0.0004","13.3598","0.0006","83.848","0.003","79.249","0.003","74.623","0.003","851.46","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Thallium Uranyl(VI) Dihydrogenphosphite-Phosphite","","","- H4 O16 P4 Tl2 U2 -","- H4 O16 P4 Tl2.005 U2 -","- H8 O32 P8 Tl4.01 U4 -","2","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0784","0.0501","","","0.1213","0.1353","","","","","","1.009","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507692","11.1774","0.0002","11.4215","0.0002","12.139","0.0002","90","","108.907","0.001","90","","1466.08","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Thallium Uranyl Phosphite","","","- H3 O14 P3 Tl2 U2 -","- H3 O14 P3 Tl2 U2 -","- H12 O56 P12 Tl8 U8 -","4","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0684","0.0358","","","0.0763","0.0883","","","","","","1.005","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507693","14.7052","0.0016","10.448","0.0011","26.641","0.003","90","","91.203","0.008","90","","4092.2","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Thallium Uranyl(VI) Phosphite","","","- H0 O37 P8 Tl6 U5 -","- O37 P8 Tl6 U5 -","- O148 P32 Tl24 U20 -","4","1","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.1266","0.0781","","","0.1805","0.2042","","","","","","0.976","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507694","13.5382","0.0005","13.5382","0.0005","19.4008","0.0009","90","","90","","90","","3555.8","0.2","100","2","100","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","Thallium Uranyl(VI) Phosphate-Phosphite","","","- H2 O18 P4 Tl3 U2 -","- H2 O18 P4 Tl3 U2 -","- H16 O144 P32 Tl24 U16 -","8","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0385","0.0329","","","0.0757","0.0781","","","","","","1.098","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507695","16.236","0.0005","10.4995","0.0003","11.0003","0.0003","90","","99.027","0.002","90","","1851.99","0.09","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Thallium Uranium(VI,IV) Phosphate-Phosphite","","","- H0 O19 P4 Tl2 U3 -","- O19 P4 Tl2 U3 -","- O76 P16 Tl8 U12 -","4","0.5","","Villa, Eric M.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Syntheses, Structures, and Comparisons of Thallium Uranium Phosphites, Mixed Phosphate-Phosphites, and Phosphate","Crystal Growth & Design","2013","13","4","1721","","10.1021/cg400046a","","","0.71073","MoKα","","0.0437","0.0355","","","0.081","0.0835","","","","","","1.089","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507696","8.5022","0.0002","9.0863","0.0002","15.6786","0.0004","90","","90","","90","","1211.23","0.05","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.0806","0.0414","","","0.0819","0.1033","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507697","8.5568","0.0002","9.1952","0.0002","15.7495","0.0004","90","","90","","90","","1239.19","0.05","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","guanidine","guanidine","","- C H5 N3 -","- C H5 N3 -","- C16 H80 N48 -","16","2","","Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard","Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5","Crystal Growth & Design","2013","13","4","1730","","10.1021/cg400054k","","neutron","0.7937","","","0.1046","0.0514","","","0.0802","0.1008","","","","","","1.088","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4507698","13.3441","0.001","43.503","0.005","13.1326","0.001","90","","90","","90","","7623.6","1.2","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C15 H12 Cd N2.5 Na1.5 O9 -","- C15 H9 Cd N2.5 Na1.5 O9 -","- C240 H144 Cd16 N40 Na24 O144 -","16","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0487","","","0.1044","0.107","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507699","18.6294","0.001","9.9345","0.0005","14.7424","0.0008","90","","90","","90","","2728.4","0.2","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H24 Cd N Na O14 -","- C18 H15 Cd N Na O14 -","- C72 H60 Cd4 N4 Na4 O56 -","4","1","","Du, Fenglei; Zhang, Huabin; Tian, Chongbin; Du, Shaowu","Synthesis and Structure of Two Acentric Heterometallic Inorganic‒Organic Hybrid Frameworks with Both Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2013","13","4","1736","","10.1021/cg400060t","","","0.71073","MoKα","","","0.0601","","","0.1774","0.1823","","","","","","1.048","","","","has coordinates","179612","2020-10-21","18:00:00",""
"4507700","7.1116","0.0011","10.9029","0.0014","12.2212","0.0018","113.391","0.004","97.047","0.004","92.829","0.004","858.1","0.2","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Bi-2,6-pyridine dicarboxylate","","","- C32 H20 Bi2 N6 O18 -","- C32 H20 Bi2 N6 O18 -","- C32 H20 Bi2 N6 O18 -","1","0.5","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0378","0.0305","","","0.0702","0.0733","","","","","","1.053","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507701","6.955","0.0007","6.9973","0.0007","12.8905","0.0012","81.541","0.008","81.012","0.008","78.708","0.008","603.22","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Bi-imidazole dicarboxylate","","","- C10 H4 Bi N4 O8 -","- C10 H4 Bi N4 O8 -","- C20 H8 Bi2 N8 O16 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0292","0.0267","","","0.0635","0.0652","","","","","","1.054","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507702","7.2623","0.0013","7.5389","0.0012","8.1125","0.0014","97.699","0.006","101.048","0.006","113.21","0.005","389.69","0.12","300","2","300","2","","","","","","","","5","P -1","-P 1","2","Bi-3,4-pyridine dicarboxylate","","","- C7 H3 Bi N O5 -","- C7 H3 Bi N O5 -","- C14 H6 Bi2 N2 O10 -","2","1","","Sushrutha, S. R.; Natarajan, Srinivasan","Bismuth Carboxylates with Brucite- and Fluorite-Related Structures: Synthesis Structure and Properties","Crystal Growth & Design","2013","13","4","1743","","10.1021/cg4000654","","","0.71073","MoKα","","0.0408","0.0359","","","0.0776","0.0787","","","","","","1.051","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507703","6.432","0.002","22.966","0.009","5.0934","0.0019","90","","90","","90","","752.4","0.5","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H26 Cl2 N2 O2 -","- C10 H26 Cl2 N2 O2 -","- C20 H52 Cl4 N4 O4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0668","0.0588","","","0.1378","0.1431","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507704","12.239","0.003","15.151","0.003","5.298","0.0011","90","","90","","90","","982.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C12 H32 N2 O8 S2 -","- C12 H32 N2 O8 S2 -","- C24 H64 N4 O16 S4 -","2","0.5","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.073","0.0646","","","0.1242","0.1274","","","","","","1.156","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507705","8.5813","0.0006","10.5252","0.0008","10.921","0.0008","70.626","0.001","68.872","0.001","73.867","0.001","853.82","0.11","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C28 H58 N4 O13 -","- C28 H58 N4 O13.145 -","- C28 H58 N4 O13.145 -","1","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","0.71073","MoKα","","0.0328","0.0326","","","0.0859","0.0861","","","","","","1.041","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507706","7.1428","0.0003","8.4149","0.0003","10.1973","0.0004","90","","95.633","0.004","90","","609.96","0.04","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H24 N2 O2 -","- C10 H24 N2 O2 -","- C20 H48 N4 O4 -","2","1","","Cherukuvada, Suryanarayan; Nangia, Ashwini","Salts and Ionic Liquid of The Antituberculosis DrugS,S-Ethambutol","Crystal Growth & Design","2013","13","4","1752","","10.1021/cg400071d","","","1.5418","CuKα","","0.0526","0.0506","","","0.1438","0.1471","","","","","","1.075","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507707","14.459","0.0015","20.243","0.001","21.109","0.002","90","","90","","90","","6178.5","0.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H19 N3 O17 Y2 -","- C33 H15 N3 O17 Y2 -","- C132 H60 N12 O68 Y8 -","4","1","","Tang, Kuanzhen; Yun, Ruirui; Lu, Zhiyong; Du, Liting; Zhang, Mingxing; Wang, Qian; Liu, Huiyan","High CO2/N2Selectivity and H2Adsorption of a Novel Porous Yttrium Metal‒Organic Framework Based onN,N′,N″-Tris(isophthalyl)-1,3,5-benzenetricarboxamide","Crystal Growth & Design","2013","13","4","1382","","10.1021/cg400096e","","","0.71073","MoKα","","0.1096","0.0927","","","0.228","0.2422","","","","","","0.778","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507708","33.404","0.002","19.1752","0.0007","22.1972","0.0011","90","","122.09","0.008","90","","12045.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H115 Gd1.42 N4 O60.5 S10 -","- C82 H72 Gd1.4186 N4 O60.5 S10 -","- C328 H288 Gd5.6744 N16 O242 S40 -","4","0.5","","Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks","Crystal Growth & Design","2013","13","5","2025","","10.1021/cg4000999","","","0.71073","MoKα","","0.1154","0.0798","","","0.2241","0.2378","","","","","","1.002","","","","has coordinates,has disorder","287892","2023-11-30","16:04:10",""
"4507709","18.4693","0.0005","18.5141","0.0005","21.9625","0.0006","104.299","0.002","101.711","0.002","103.672","0.002","6793.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C220 H288 Gd2 N20 O127 S20 -","- C220 H180 Gd2 N20 O127 S20 -","- C220 H180 Gd2 N20 O127 S20 -","1","0.5","","Ling, Irene; Boulos, Ramiz A.; Skelton, Brian W.; Sobolev, Alexandre N.; Alias, Yatimah; Raston, Colin L.","Constructing Multicomponent Materials Involving Inclusion of Mono- and Bis-Imidazolium Cations in Gadolinium(III)-p-sulfonatocalix[5]arene Coordination Networks","Crystal Growth & Design","2013","13","5","2025","","10.1021/cg4000999","","","0.71073","MoKα","","0.1992","0.1677","","","0.3467","0.363","","","","","","1.564","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507710","7.7801","0.0003","6.7905","0.0002","40.5837","0.0016","90","","95.328","0.003","90","","2134.8","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0464","0.0361","","","0.0914","0.0969","","","","","","1.04","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507711","13.815","0.0003","9.116","0.0002","17.5978","0.0003","90","","102.795","0.001","90","","2161.19","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0376","0.0331","","","0.0881","0.0917","","","","","","1.028","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507712","16.3186","0.0003","7.0532","0.0001","19.1212","0.0003","90","","105.894","0.001","90","","2116.68","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 Cl2 N3 O2 -","- C23 H25 Cl2 N3 O2 -","- C92 H100 Cl8 N12 O8 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0368","0.0323","","","0.086","0.0895","","","","","","1.017","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507713","7.6794","0.0002","8.1951","0.0002","19.2697","0.0004","85.791","0.002","88.984","0.002","75.052","0.002","1168.51","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23.8 H28.2 Cl2 N3 O2.8 -","- C23.8 H28.2 Cl2 N3 O2.8 -","- C47.6 H56.4 Cl4 N6 O5.6 -","2","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0446","0.0397","","","0.1189","0.1231","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507714","8.3321","0.0007","10.1219","0.0008","15.168","0.0013","84.562","0.005","84.704","0.005","68.879","0.004","1185.58","0.17","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl2 N3 O3 -","- C24 H29 Cl2 N3 O3 -","- C48 H58 Cl4 N6 O6 -","2","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.0427","0.0385","","","0.1081","0.1115","","","","","","1.044","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507715","11.1026","0.0014","12.679","0.0014","16.6841","0.0019","90","","97.475","0.008","90","","2328.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl2 N3 O3 -","- C23 H27 Cl2 N3 O3 -","- C92 H108 Cl8 N12 O12 -","4","1","","Zeidan, Tarek A.; Trotta, Jacob T.; Chiarella, Renato A.; Oliveira, Mark A.; Hickey, Magali B.; Almarsson, Örn; Remenar, Julius F.","Polymorphism of Dehydro-Aripiprazole, the Active Metabolite of the Antipsychotic Drug Aripiprazole (Abilify)","Crystal Growth & Design","2013","13","5","2036","","10.1021/cg400104v","","","1.54178","CuKα","","0.1072","0.0416","","","0.1326","0.1863","","","","","","1.046","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507716","6.123","0.005","9.135","0.007","19.405","0.016","90","","90","","90","","1085.4","1.5","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2.002 N2 O2 -","- C32 H52 Cl4 F8.008 N8 O8 -","4","0.5","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.093","0.0888","","","0.2636","0.2684","","","","","","1.109","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507717","9.116","0.005","18.023","0.01","21.227","0.01","90","","115.33","0.02","90","","3152","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Cl F2 N2 O2 -","- C8 H13 Cl F2 N2 O2 -","- C96 H156 Cl12 F24 N24 O24 -","12","3","","Shi, Xiaojun; Luo, Junhua; Sun, Zhihua; Li, Shigeng; Ji, Chengmin; Li, Lina; Han, Liang; Zhang, Shuquan; Yuan, Daqiang; Hong, Maochun","Switchable Dielectric Phase Transition Induced by Ordering of Twisting Motion in 1,4-Diazabicyclo[2.2.2]octane Chlorodifluoroacetate","Crystal Growth & Design","2013","13","5","2081","","10.1021/cg400146b","","","0.71073","MoKα","","0.112","0.0816","","","0.2157","0.253","","","","","","1.178","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507718","15.299","0.002","6.0123","0.0006","15.75","0.0019","90","","117.745","0.017","90","","1282.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 N5 O3 -","- C11 H17 N5 O3 -","- C44 H68 N20 O12 -","4","1","","Pérez-Fernández, R.; Fresno, N.; Goya, P.; Elguero, J.; Menéndez-Taboada, L.; García-Granda, S.; Marco, C.","Structure and Thermodynamical Properties of Metformin Salicylate","Crystal Growth & Design","2013","13","4","1780","","10.1021/cg400150f","","","1.5418","CuKα","","0.1102","0.0865","","","0.2487","0.2748","","","","","","1.082","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507719","28.1968","0.0013","28.1968","0.0013","18.1399","0.001","90","","90","","90","","14422.3","1.2","293","2","293","2","","","","","","","","4","I -4 m 2","I -4 -2","119","","","","- C40 H26 Cu2 O10 -","- C40 H22 Cu2 O10 -","- C320 H176 Cu16 O80 -","8","0.5","","Cai, Jianfeng; Yu, Jiancan; Xu, Hui; He, Yabing; Duan, Xing; Cui, Yuanjing; Wu, Chuande; Chen, Banglin; Qian, Guodong","A Doubly Interpenetrated Metal‒Organic Framework with Open Metal Sites and Suitable Pore Sizes for Highly Selective Separation of Small Hydrocarbons at Room Temperature","Crystal Growth & Design","2013","13","5","2094","","10.1021/cg400164m","","","0.71073","MoKα","","0.0579","0.0489","","","0.1293","0.1337","","","","","","1.17","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507720","13.6066","0.0002","13.6066","0.0002","13.6066","0.0002","90","","90","","90","","2519.12","0.06","298","2","298.15","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C30 H54 Mn8 Na4 O30 -","- C30 H54.72 Mn8 Na4 O30 -","- C60 H109.44 Mn16 Na8 O60 -","2","0.0208333","","Liu, Min-Min; Han, Cai-Yun; Qin, Ying-Lian; Zhang, Xian-Ming","Mn8@Na8Cube-in-Cube SBBs-Based Heterometallic Coordination Network with Unprecedented (39.46)8Topological Mn8(μ4-OMe)6Cubes","Crystal Growth & Design","2013","13","4","1386","","10.1021/cg400165v","","","0.71073","MoKα","","0.0687","0.064","","","0.2164","0.2313","","","","","","1.251","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507721","10.947","0.002","8.365","0.0017","22.229","0.004","90","","91.05","0.03","90","","2035.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H9 N3 O5 -","- C8 H9 N3 O5 -","- C64 H72 N24 O40 -","8","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.1399","0.0617","","","0.1217","0.15","","","","","","0.922","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507722","3.884","0.0008","17.364","0.003","12.699","0.003","90","","101.54","0.03","90","","839.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 N3 O3 -","- C7 H8 N3 O3 -","- C28 H32 N12 O12 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.0561","0.0413","","","0.1078","0.1147","","","","","","1.047","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507723","11.2","0.002","5.052","0.001","22.001","0.004","90","","104.07","0.03","90","","1207.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O5 -","- C10 H13 N3 O5 -","- C40 H52 N12 O20 -","4","1","","Luo, Yang-Hui; Sun, Bai-Wang","Pharmaceutical Co-Crystals of Pyrazinecarboxamide (PZA) with Various Carboxylic Acids: Crystallography, Hirshfeld Surfaces, and Dissolution Study","Crystal Growth & Design","2013","13","5","2098","","10.1021/cg400167w","","","0.71073","MoKα","","0.1764","0.0866","","","0.1784","0.2175","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507724","23.6644","0.0017","14.9473","0.0013","32.9534","0.0016","90","","93.185","0.003","90","","11638.2","1.4","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C120 H80 N8 O28 S4 Zn4 -","- C120 H80 N8 O28 S4 Zn4 -","- C480 H320 N32 O112 S16 Zn16 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0544","0.0495","","","0.1129","0.1138","","","","","","1.055","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507725","14.754","0.002","24.039","0.003","25.304","0.003","90","","101.283","0.003","90","","8801.2","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C98 H66 F12 N8 O13 Zn2 -","- C98 H66 F12 N8 O13 Zn2 -","- C392 H264 F48 N32 O52 Zn8 -","4","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.11","0.0631","","","0.1654","0.1773","","","","","","1.022","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507726","13.5717","0.0012","13.5717","0.0012","37.332","0.007","90","","90","","120","","5955","1.3","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C46 H32 N4 O7 Zn -","- C46 H32 N4 O7 Zn -","- C276 H192 N24 O42 Zn6 -","6","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0786","0.0455","","","0.063","0.0659","","","","","","1.133","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507727","13.2457","0.0008","13.256","0.0007","15.0285","0.0015","91.851","0.001","102.53","0.001","119.01","0.001","2223.3","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H62 Cd2 N8 O15 S2 -","- C92 H62 Cd2 N8 O15 S2 -","- C92 H62 Cd2 N8 O15 S2 -","1","0.5","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.1062","0.0584","","","0.0988","0.1115","","","","","","1.087","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507728","13.821","0.009","32.91","0.02","14.903","0.01","90","","112.939","0.01","90","","6243","7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H43 Cd2 F12 N4 O13 -","- C66 H43 Cd2 F12 N4 O13 -","- C264 H172 Cd8 F48 N16 O52 -","4","1","","Qin, Ling; Hu, Jinsong; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Tuning Structural Topologies of a Series of Metal‒Organic Frameworks: Different Bent Dicarboxylates","Crystal Growth & Design","2013","13","5","2111","","10.1021/cg400180j","","","0.71073","MoKα","","0.0639","0.0523","","","0.1497","0.1588","","","","","","1.039","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507729","12.5223","0.0004","12.5223","0.0004","26.0224","0.001","90","","90","","90","","4080.5","0.2","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H10 N8 O4 Zn2 -","- C12 H10 N8 O4 Zn2 -","- C96 H80 N64 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0617","0.0451","","","0.1323","0.1444","","","","","","1.065","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507730","13.2828","0.0005","13.2828","0.0005","26.6491","0.001","90","","90","","90","","4701.8","0.3","298","2","298","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C12 H12 N10 O4 Zn2 -","- C12 H12 N10 O4 Zn2 -","- C96 H96 N80 O32 Zn16 -","8","0.5","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.0568","0.0504","","","0.1466","0.1503","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507731","17.233","0.0008","13.825","0.0006","12.1786","0.0007","90","","92.4829","0.0018","90","","2898.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N8 O5 Zn2 -","- C18 H14 N8 O5 Zn2 -","- C72 H56 N32 O20 Zn8 -","4","1","","Chen, Kai-Jie; Lin, Rui-Biao; Liao, Pei-Qin; He, Chun-Ting; Lin, Jian-Bin; Xue, Wei; Zhang, Yue-Biao; Zhang, Jie-Peng; Chen, Xiao-Ming","New Zn-Aminotriazolate-Dicarboxylate Frameworks: Synthesis, Structures, and Adsorption Properties","Crystal Growth & Design","2013","13","5","2118","","10.1021/cg400183s","","","0.71073","MoKα","","0.1218","0.057","","","0.1521","0.2042","","","","","","1.086","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507732","13.4377","0.0009","17.6945","0.0009","16.5172","0.0008","90","","90","","90","","3927.4","0.4","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C38 H29 I N8 O8 Zn2 -","- C38 H29 I1.0004 N8 O8 Zn2 -","- C152 H116 I4.0016 N32 O32 Zn8 -","4","0.5","","Cao, Li-Hui; Xu, Qing-Qing; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","First Three-Dimensional Self-Penetrating Coordination Polymer Containing Rare (10,3)-d Subnets: Synthesis, Structure, and Properties","Crystal Growth & Design","2013","13","5","1812","","10.1021/cg400191x","","","0.71073","MoKα","","0.1172","0.0944","","","0.1923","0.2014","","","","","","1.079","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507733","10.936","0.002","16.06","0.003","19.474","0.004","77.21","0.03","76.03","0.03","72.09","0.03","3117.9","1.2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H60 Ag2 Cl2 N4 O9 P4 -","- C63 H56 Ag2 Cl2 N4 O9 P4 -","- C126 H112 Ag4 Cl4 N8 O18 P8 -","2","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.1203","0.0829","","","0.1648","0.1845","","","","","","1.101","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507734","20.415","0.004","13.369","0.003","20.967","0.004","90","","90","","90","","5722","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Cl N2 P2 -","- C31 H28 Ag Cl N2 P2 -","- C248 H224 Ag8 Cl8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0632","0.0534","","","0.0922","0.0964","","","","","","1.189","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507735","20.619","0.004","13.453","0.003","21.059","0.004","90","","90","","90","","5842","2","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H28 Ag Br N2 P2 -","- C31 H28 Ag Br N2 P2 -","- C248 H224 Ag8 Br8 N16 P16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0663","0.0559","","","0.1064","0.111","","","","","","1.244","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507736","13.815","0.003","20.767","0.004","41.214","0.008","90","","90","","90","","11824","4","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H56 Ag2 N6 P4 S2 -","- C64 H56 Ag2 N6 P4 S2 -","- C512 H448 Ag16 N48 P32 S16 -","8","1","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0833","0.0665","","","0.1368","0.1459","","","","","","1.191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507737","20.499","0.004","11.142","0.002","26.08","0.01","90","","123.51","0.02","90","","4967","3","223","2","223","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C98 H86 Ag4 Cl2 N10 P6 -","- C98 H83 Ag4 Cl2 N10 P6 -","- C196 H166 Ag8 Cl4 N20 P12 -","2","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0828","0.0685","","","0.1758","0.188","","","","","","1.074","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507738","24.932","0.004","11.2178","0.0007","18.016","0.003","90","","129.11","0.03","90","","3909.8","1.9","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H31 Ag4 N7 P2 -","- C37 H31 Ag4 N7 P2 -","- C148 H124 Ag16 N28 P8 -","4","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0899","0.0743","","","0.1832","0.2028","","","","","","1.054","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507739","26.794","0.005","20.802","0.004","14.632","0.003","90","","121.21","0.03","90","","6975","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C69 H56 Ag7 N11 P4 -","- C69 H56 Ag7 N11 P4 -","- C276 H224 Ag28 N44 P16 -","4","0.5","","Yang, Jü-Hua; Wu, Xin-Yi; He, Run-Tian; Ren, Zhi-Gang; Li, Hong-Xi; Wang, Hui-Fang; Lang, Jian-Ping","Degradation versus Expansion of the AgX Frameworks: Formation of Oligomeric and Polymeric Silver Complexes from Reactions of Bulk AgX withN,N-Bis(diphenylphosphanylmethyl)-2-aminopyridine","Crystal Growth & Design","2013","13","5","2124","","10.1021/cg4002048","","","0.71073","MoKα","","0.0989","0.0554","","","0.097","0.1114","","","","","","1.021","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507740","9.3953","0.0001","7.3422","0.0001","13.9495","0.0002","90","","90","","90","","962.27","0.02","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Co N O7 -","- C7 H9 Co N O7 -","- C28 H36 Co4 N4 O28 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","","","0.71073","MoKα","","0.0287","0.0273","","","0.0704","0.0722","","","","","","1.077","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507741","10.8982","0.0032","14.146","0.005","9.7303","0.0028","90","","96.009","0.026","90","","1491.8","0.8","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C7 H3 Co N O10 -","- C7 H3 Co N O10 -","- C28 H12 Co4 N4 O40 -","4","1","","Saha, Rajat; Dey, Sanjoy Kumar; Biswas, Susobhan; Jana, Atish Dipankar; Kumar, Sanjay","Transformation of a Mother Crystal to a Daughter Crystal through Amorphous Phase: De-assembly of Coordination Helices upon Heating and Re-assembly through Aquation","Crystal Growth & Design","2013","13","5","2135","","10.1021/cg400224a","powder diffraction","x-ray","1.5418","","","","","","","","","1.11552","","10.51","","","","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507742","8.9376","0.002","10.5525","0.0024","12.3822","0.0028","90","","90.601","0.011","90","","1167.8","0.5","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H2 Cl4 -","- C2 H2 Cl4 -","- C16 H16 Cl32 -","8","2","","Negrier, Ph.; Barrio, M.; Tamarit, J. Ll.; Mondieig, D.; Zuriaga, M. J.; Perez, S. C.","Conformational Polymorphism: The Missing Phase of 1,1,2,2-Tetrachloroethane (Cl2HC‒CHCl2)","Crystal Growth & Design","2013","13","5","2143","","10.1021/cg400235b","","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507743","7.389","0.003","12.276","0.005","14.769","0.006","89.541","0.005","78.601","0.005","84.3","0.006","1306.6","0.9","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium)glutarate.pentahydrate","","- C19 H44 N6 O9 -","- C19 H44 N6 O9 -","- C38 H88 N12 O18 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.0939","0.0487","","","0.1099","0.1302","","","","","","0.952","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507744","7.454","0.007","10.516","0.01","16.998","0.016","84.407","0.011","87.349","0.013","73.631","0.011","1272","2","105","2","105","2","","","","","","","","4","P -1","-P 1","2","","bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinium. pyridine-3,5-dicarboxylate tetrahydrate'","","- C21 H39 N7 O8 -","- C21 H39 N7 O8 -","- C42 H78 N14 O16 -","2","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.1604","0.0843","","","0.1511","0.1784","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507745","8.5739","0.0012","30.821","0.004","9.7863","0.0013","90","","107.986","0.002","90","","2459.7","0.6","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Di(1,5,7-triazabicyclo[4.4.0]dec-5-ene).Phthalatetrihydrate","1,2,benzenedicarboxylate.bis(1,3,4,6,7,8-hexahydro-2H-pyrimido [1,2-a]pyrimidinium)trihydrate","","- C22 H38 N6 O7 -","- C22 H38 N6 O7 -","- C88 H152 N24 O28 -","4","1","","Yadav, Vitthal N.; Görbitz, Carl Henrik","Water of Hydration in 2:1 Hydrogen-Bonded Complexes between 1,5,7-Triazabicyclo[4.4.0]dec-5-ene and Dicarboxylic Acids","Crystal Growth & Design","2013","13","5","2174","","10.1021/cg400250n","","","0.71073","MoKα","","0.0522","0.0381","","","0.0939","0.1028","","","","","","1.025","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507746","12.498","0.002","5.2071","0.001","11.411","0.002","90","","114.933","0.002","90","","673.4","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H14 N2 O10 Te2 V2 -","- C4 H14 N2 O10 Te2 V2 -","- C8 H28 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0319","0.029","","0.0716","0.0685","0.0643","","","","","","1.0104","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507747","13.13","0.005","5.165","0.005","11.338","0.005","90","","92.413","0.005","90","","768.2","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O10 Te2 V2 -","- C6 H18 N2 O10 Te2 V2 -","- C12 H36 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0938","0.0651","","0.1556","0.1334","0.1236","","","","","","1.0191","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507748","10.6381","0.0017","6.3982","0.0011","11.6427","0.0019","90","","105.109","0.002","90","","765.1","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 N2 O10 Te2 V2 -","- C6 H18 N2 O10 Te2 V2 -","- C12 H36 N4 O20 Te4 V4 -","2","0.5","","Chang, Kelvin B.; Smith, Matthew D.; Blau, Samuel M.; Glor, Ethan C.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Steric-Induced Layer Flection in Templated Vanadium Tellurites","Crystal Growth & Design","2013","13","5","2190","","10.1021/cg400280x","","","0.71073","MoKα","","0.0208","0.0193","","0.0448","0.0441","0.0434","","","","","","1.024","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507749","16.6256","0.0016","12.5308","0.0013","21.002","0.002","90","","109.391","0.006","90","","4127.2","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Hup Form 2","","","- C15 H18 N2 O -","- C15 H19 N2 O -","- C180 H228 N24 O12 -","12","6","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.1243","0.0678","","","0.1544","0.1877","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507750","26.595","0.005","7.5583","0.0013","14.652","0.003","90","","117.28","0.003","90","","2617.7","0.9","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","Huperzine A","","","- C15 H18 N2 O -","- C15 H18 N2 O -","- C120 H144 N16 O8 -","8","2","","Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng","New Polymorphs of Huperzine A: Preparation, Structures, and Physicochemical Properties of Anhydrous Crystal Forms","Crystal Growth & Design","2013","13","5","2198","","10.1021/cg400313a","","","0.71073","MoKα","","0.0775","0.059","","","0.1544","0.1676","","","","","","1.056","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507751","8.698","0.003","9.187","0.003","12.231","0.004","73.87","0.03","87.42","0.03","64.52","0.03","844.4","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of Temozolomide and Caffeine","","- C14 H16 N10 O4 -","- C14 H16 N10 O4 -","- C28 H32 N20 O8 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.1115","0.0573","","","0.1447","0.1633","","","","","","0.897","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507752","9.645","0.003","10.609","0.003","10.925","0.003","87.125","0.005","75.546","0.004","87.003","0.004","1080.2","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and Isonicotinamide","","- C18 H18 N14 O5 -","- C18 H18 N14 O5 -","- C36 H36 N28 O10 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0786","0.0511","","","0.1242","0.1412","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507753","12.4071","0.0011","6.631","0.0006","26.504","0.002","90","","92.91","0.002","90","","2177.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2:1 cocrystal of Temozolomide and NIcotinamide","","- C18 H18 N14 O5 -","- C18 H18 N14 O5 -","- C72 H72 N56 O20 -","4","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0929","0.0527","","","0.1246","0.1442","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507754","9.834","0.003","10.797","0.003","11.809","0.003","107.047","0.004","101.419","0.004","101.835","0.004","1127.8","0.5","298","2","293","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and 4-hydroxybenzamide","","- C19 H19 N13 O6 -","- C19 H19 N13 O6 -","- C38 H38 N26 O12 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0619","0.0457","","","0.1169","0.1276","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507755","6.9091","0.0017","12.3493","0.0019","14.141","0.002","106.389","0.013","92.948","0.016","100.942","0.017","1129.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","2:1 cocrystal of Temozolomide and 4-hydroxybenzaamide","","- C19 H19 N13 O6 -","- C19 H19 N13 O6 -","- C38 H38 N26 O12 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.1352","0.0854","","","0.2039","0.2459","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507756","8.557","0.0011","9.2537","0.0012","10.3924","0.0014","68.398","0.002","89.951","0.002","63.129","0.002","668.77","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1:1 cocrystal of Temozolomide and Pyrazinamide","","- C11 H11 N9 O3 -","- C11 H11 N9 O3 -","- C22 H22 N18 O6 -","2","1","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0912","0.0532","","","0.1207","0.1378","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507757","6.521","0.003","8.064","0.004","11.952","0.005","76.591","0.007","75.856","0.007","87.095","0.007","592.8","0.5","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","2:1 cocrystal of Temzolomide and Saccharin","","- C19 H17 N13 O7 S -","- C19 H17 N13 O7 S -","- C19 H17 N13 O7 S -","1","0.5","","Sanphui, Palash; Babu, N. Jagadeesh; Nangia, Ashwini","Temozolomide Cocrystals with Carboxamide Coformers","Crystal Growth & Design","2013","13","5","2208","","10.1021/cg400322t","","","0.71073","MoKα","","0.0714","0.0467","","","0.1067","0.1205","","","","","","1.014","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507758","10.368","0.002","9.283","0.002","16.084","0.004","90","","101.79","0.003","90","","1515.4","0.6","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H13 Cd N3 O5 -","- C15 H13 Cd N3 O5 -","- C60 H52 Cd4 N12 O20 -","4","2","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.102","0.0718","","","0.1466","0.1636","","","","","","1.091","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507759","13.707","0.0014","22.724","0.002","21.771","0.002","90","","91.322","0.001","90","","6779.4","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cd4 N12 O30 -","- C60 H72 Cd4 N12 O30 -","- C240 H288 Cd16 N48 O120 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0507","0.03","","","0.0711","0.0809","","","","","","1.05","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507760","25.444","0.004","11.3655","0.0017","13.702","0.002","90","","121.25","0.001","90","","3387.5","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 Cd N3 O7.5 -","- C15 H13 Cd N3 O7.5 -","- C120 H104 Cd8 N24 O60 -","8","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0491","0.0331","","","0.0696","0.0759","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507761","24.905","0.003","9.213","0.001","16.7594","0.0018","90","","112.323","0.001","90","","3557.3","0.7","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H38 Cd2 N6 O16 -","- C30 H38 Cd2 N6 O16 -","- C120 H152 Cd8 N24 O64 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.0235","0.0205","","","0.0511","0.0535","","","","","","1.032","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507762","6.7858","0.0011","22.862","0.004","12.269","0.002","90","","91.97","0.002","90","","1902.3","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 Cd N3 O9.5 -","- C15 H21 Cd N3 O9.5 -","- C60 H84 Cd4 N12 O38 -","4","1","","Uebler, Jacob W.; Pochodylo, Amy L.; Staples, Richard J.; LaDuca, Robert L.","Control of Self-Penetration and Dimensionality in Luminescent Cadmium Succinate Coordination Polymers via Isomeric Dipyridylamide Ligands","Crystal Growth & Design","2013","13","5","2220","","10.1021/cg4003302","","","0.71073","MoKα","","0.037","0.0343","","","0.085","0.0859","","","","","","1.276","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4507763","14.0158","0.0012","17.1001","0.0015","22.014","0.002","79.749","0.002","89.457","0.002","66.057","0.002","4733.6","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H154 N11 O19 P3 -","- C77 H154 N11 O19 P3 -","- C154 H308 N22 O38 P6 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4‒Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.068","0.0515","","","0.1478","0.159","","","","","","1.094","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507764","13.9538","0.0015","17.1425","0.0018","22.245","0.002","99.483","0.002","90.133","0.003","113.454","0.002","4801.2","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H162 N11 O19 P3 -","- C81 H162 N11 O19 P3 -","- C162 H324 N22 O38 P6 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4‒Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.152","0.0876","","","0.233","0.2694","","","","","","1.013","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507765","12.5433","0.0014","15.2724","0.0016","16.78","0.0018","83.775","0.002","79.502","0.002","68.296","0.002","2933.6","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H91 N6 O10 P2 -","- C45 H91 N6 O10 P2 -","- C90 H182 N12 O20 P4 -","2","1","","Rajbanshi, Arbin; Wan, Shun; Custelcean, Radu","Dihydrogen Phosphate Clusters: Trapping H2PO4‒Tetramers and Hexamers in Urea-Functionalized Molecular Crystals","Crystal Growth & Design","2013","13","5","2233","","10.1021/cg400336q","","","0.71073","MoKα","","0.1317","0.0934","","","0.2727","0.3062","","","","","","1.059","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507777","8.042","0.0003","8.042","0.0003","28.3749","0.0012","90","","90","","90","","1835.11","0.12","295","2","295","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C56 H72 Cl8 N16 O16 -","8","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0974","0.0654","","","0.1503","0.168","","","","","","1.076","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507778","5.5223","0.0004","7.7292","0.0006","20.8328","0.0016","90","","90","","90","","889.21","0.12","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H9 Cl N2 O2 -","- C7 H9 Cl N2 O2 -","- C28 H36 Cl4 N8 O8 -","4","1","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0425","0.0354","","","0.0877","0.0919","","","","","","1.082","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507779","12.5392","0.0003","9.2956","0.0002","20.6018","0.0004","90","","99.435","0.002","90","","2368.85","0.09","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Cl6 N4 O5 Sn -","- C14 H20 Cl6 N4 O5 Sn -","- C56 H80 Cl24 N16 O20 Sn4 -","4","0.5","","Daszkiewicz, Marek","Elementary Graph-Set Descriptors in Crystal Structure Comparison of 2-Methyl-4-Nitroanilinium Hexachloridostannate(IV), Bromide and Two Noncentrosymmertic Chlorides. X-Ray, Vibrational and Theoretical Studies","Crystal Growth & Design","2013","13","6","2277","","10.1021/cg301733r","","","0.71073","MoKα","","0.0245","0.0206","","","0.0529","0.0543","","","","","","1.071","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507780","23.3339","0.0017","18.0256","0.0018","15.2682","0.0013","90","","120.777","0.002","90","","5517.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 N12 O18 Zn3 -","- C54 H42 N12 O18 Zn3 -","- C216 H168 N48 O72 Zn12 -","4","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0434","0.0367","","","0.104","0.1069","","","","","","1.038","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507781","9.5419","0.0001","15.4566","0.0002","23.1102","0.0003","90","","104.038","0.001","90","","3306.62","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 N6 O12 Zn3 -","- C36 H24 N6 O12 Zn3 -","- C144 H96 N24 O48 Zn12 -","4","1","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0667","0.0519","","","0.1474","0.1551","","","","","","1.079","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507782","9.6071","0.0015","15.995","0.003","23.486","0.005","90","","104.915","0.008","90","","3487.4","1.1","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Cd3(Y1)(BTC)2]","","- C36 H24 Cd3 N6 O12 -","- C36 H24 Cd3 N6 O12 -","- C144 H96 Cd12 N24 O48 -","4","1","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71075","MoKα","","0.0249","0.0214","","","0.0519","0.0529","","","","","","1.081","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507783","15.604","0.002","8.665","0.001","17.69","0.002","90","","111.47","0.002","90","","2225.9","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C42 H32 Cd3 N8 O16 -","- C42 H24 Cd3 N8 O16 -","- C84 H48 Cd6 N16 O32 -","2","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71073","MoKα","","0.0454","0.0381","","","0.1169","0.1235","","","","","","1.049","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507784","21.133","0.0009","13.329","0.0006","18.366","0.0012","90","","123.662","0.001","90","","4305.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H28 Cd3 N8 O14 -","- C42 H28 Cd3 N8 O14 -","- C168 H112 Cd12 N32 O56 -","4","0.5","","Luo, Li; Chen, Kai; Liu, Qing; Lu, Yi; Okamura, Taka-aki; Lv, Gao-Chao; Zhao, Yue; Sun, Wei-Yin","Zinc(II) and Cadmium(II) Complexes with 1,3,5-Benzenetricarboxylate and Imidazole-Containing Ligands: Structural Variation via Reaction Temperature and Solvent","Crystal Growth & Design","2013","13","6","2312","","10.1021/cg301815w","","","0.71069","MoKα","","0.028","0.0258","","","0.0626","0.0636","","","","","","1.085","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507785","8.7385","0.0006","14.9729","0.0011","12.6024","0.0009","90","","102.152","0.001","90","","1612","0.2","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0732","0.0464","","","0.112","0.1251","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507786","19.489","0.003","9.2758","0.0012","14.632","0.002","90","","90.964","0.002","90","","2644.7","0.6","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O8 -","- C27 H24 N4 O8 -","- C108 H96 N16 O32 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0991","0.073","","","0.1946","0.2184","","","","","","1.038","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507787","10.8373","0.0011","13.6735","0.0014","16.8579","0.0017","90","","95.282","0.001","90","","2487.5","0.4","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0504","0.039","","","0.1048","0.1123","","","","","","1.066","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507788","27.693","0.002","6.5838","0.0005","16.1466","0.0012","90","","90","","90","","2943.9","0.4","173","","173","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H32 N4 O6 -","- C34 H32 N4 O6 -","- C136 H128 N16 O24 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.059","0.0447","","","0.1219","0.1386","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507789","7.5391","0.0001","15.3606","0.0002","23.5185","0.0003","90","","90.72","","90","","2723.35","0.06","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 N4 O5 -","- C33 H28 N4 O5 -","- C132 H112 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","1.54178","CuKα","","0.0354","0.0345","","","0.0979","0.099","","","","","","1.065","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507790","7.3667","0.0007","12.4342","0.0012","35.712","0.003","90","","93.875","0.001","90","","3263.7","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H32 N4 O5 -","- C41 H32 N4 O5 -","- C164 H128 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","Conformation-Directed Hydrogen-Bonding inmeta-Substituted Aromatic Ureadicarboxylic Acid: A Conformationally Flexible U-Shaped Building Block","Crystal Growth & Design","2013","13","6","2327","","10.1021/cg301878r","","","0.71073","MoKα","","0.0769","0.0559","","","0.1601","0.1803","","","","","","1.043","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507791","10.642","0.002","13.927","0.003","22.032","0.004","100.2","0.03","90.27","0.03","109.39","0.03","3024.4","1.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 Cl3 Cu10 I14 N4 O6 -","- C25 H41 Cl3 Cu10 I14 N4 O6 -","- C50 H82 Cl6 Cu20 I28 N8 O12 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","synchrotron","","0.0518","0.0451","","","0.1235","0.156","","","","","","1.063","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507792","8.471","0.0017","8.895","0.0018","12.919","0.003","107.31","0.03","91.8","0.03","96.29","0.03","921.7","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H19 Cu2 I3 N2 O2 -","- C12 H19 Cu2 I3 N2 O2 -","- C24 H38 Cu4 I6 N4 O4 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","synchrotron","","0.0343","0.0322","","","0.0796","0.081","","","","","","1.067","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507793","13.4834","0.0007","16.9513","0.001","19.4949","0.0012","68.035","0.002","73.558","0.002","71.645","0.002","3852.4","0.4","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C101 H156 Cl3 Cu8 I11 N16 O40 -","- C101 H156 Cl3 Cu8 I11 N16 O40 -","- C101 H156 Cl3 Cu8 I11 N16 O40 -","1","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0909","0.0672","","","0.1833","0.212","","","","","","1.112","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507794","11.3584","0.0013","14.054","0.002","19.535","0.003","107.967","0.008","97.502","0.007","98.108","0.007","2886.1","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H72 Cu4 I4 N8 O8 -","- C48 H72 Cu4 I4 N8 O8 -","- C96 H144 Cu8 I8 N16 O16 -","2","1","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0845","0.0488","","","0.1161","0.1653","","","","","","1.024","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507795","19.275","0.003","19.275","0.003","13.123","0.003","90","","90","","120","","4222.3","1.3","123","2","123","2","","","","","","","","7","P -3","-P 3","147","","","","- C27 H32 Cu3 I4 K N4 O8 -","- C27 H32 Cu3.00667 I3.99333 K N4 O8 -","- C81 H96 Cu9.02 I11.98 K3 N12 O24 -","3","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.710698","synchrotron","","0.0813","0.0713","","","0.2373","0.2487","","","","","","1.063","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507796","10.9151","0.0002","11.4972","0.0002","13.0904","0.0003","90","","91.945","0.001","90","","1641.81","0.06","123","2","123","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 Cl3.4 Cu2 I2.6 N4 O4 -","- C24 H40 Cl3.4 Cu2 I2.6 N4 O4 -","- C48 H80 Cl6.8 Cu4 I5.2 N8 O8 -","2","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0411","0.0362","","","0.1004","0.1028","","","","","","1.14","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507797","9.1665","0.0006","10.0157","0.0007","10.8275","0.0007","78.835","0.002","77.128","0.002","75.841","0.002","929.4","0.11","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H52 Cl4 Cu N6 O6 -","- C30 H52 Cl4 Cu N6 O6 -","- C30 H52 Cl4 Cu N6 O6 -","1","0.5","","Gee, William J.; Batten, Stuart R.","Cuprous Halide Complexes of a Variable Length Ligand: Helices, Cluster Chains, and Nets Containing Large Solvated Channels","Crystal Growth & Design","2013","13","6","2335","","10.1021/cg3018858","","","0.71073","MoKα","","0.0279","0.0236","","","0.0822","0.1035","","","","","","1.212","","","","has coordinates","179613","2020-10-21","18:00:00",""
"4507798","9.4964","0.0011","19.218","0.002","26.352","0.003","90","","98.503","0.006","90","","4756.4","0.9","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H36 N10 O8 -","- C52 H36 N10 O8 -","- C208 H144 N40 O32 -","4","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","MoKα","","0.1013","0.0813","","","0.2348","0.258","","","","","","1.048","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507799","9.3749","0.0006","15.3886","0.0011","17.2299","0.0011","112.269","0.007","98.944","0.005","102.439","0.006","2167.6","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag B F4 N8 O4 -","- C50 H30 Ag B F4 N8 O4 -","- C100 H60 Ag2 B2 F8 N16 O8 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","MoKα","","0.0971","0.066","","","0.172","0.1944","","","","","","1.041","","","","has coordinates,has disorder","179613","2020-10-21","18:00:00",""
"4507800","9.636","0.0019","15.622","0.003","17.308","0.003","110.7","0.03","101.45","0.03","103.66","0.03","2251.5","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Ag F6 N8 O4 Sb -","- C50 H30 Ag F6 N8 O4 Sb -","- C100 H60 Ag2 F12 N16 O8 Sb2 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0826","0.0652","","","0.1875","0.209","","","","","","1.063","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507801","28.799","0.006","30.905","0.006","15.631","0.003","90","","90","","90","","13912","5","150","2","150","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C49 H27 Ag3 Cl3 N7 O14 -","- C48 H24 Ag3 N6 -","- C384 H192 Ag24 N48 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.1463","0.1107","","","0.3245","0.3522","","","","","","1.287","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507802","23.47","0.005","22.051","0.004","52.645","0.01","90","","90","","90","","27246","9","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C116 H108 B2 Cu2 F8 N32 O40 -","- C96 H48 B2 Cu2 F8 N12 -","- C768 H384 B16 Cu16 F64 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0867","0.0765","","","0.2232","0.2338","","","","","","1.021","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507803","23.653","0.005","23.737","0.004","51.93","0.01","90","","90","","90","","29156","10","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C110 H90 Cu2 F12 N26 O28 P2 -","- C96 H48 Cu2 N12 -","- C768 H384 Cu16 N96 -","8","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.71073","synchrotron","","0.1779","0.1336","","","0.3397","0.359","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507804","9.611","0.0019","14.831","0.003","16.74","0.003","74.76","0.03","75.04","0.03","81.55","0.03","2216.2","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 B Cu F4 N8 O4 -","- C50 H30 B Cu F4 N8 O4 -","- C100 H60 B2 Cu2 F8 N16 O8 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0802","0.0738","","","0.1854","0.1909","","","","","","1.05","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507805","9.776","0.002","15.018","0.003","16.673","0.003","74.51","0.03","76.8","0.03","78.27","0.03","2270","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H30 Cu F6 N8 O4 P -","- C50 H30 Cu F6 N8 O4 P -","- C100 H60 Cu2 F12 N16 O8 P2 -","2","1","","Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.","Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics","Crystal Growth & Design","2013","13","6","2350","","10.1021/cg400036x","","","0.7107","synchrotron","","0.0545","0.0499","","","0.1286","0.1325","","","","","","1.035","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507806","9.5896","0.0004","9.0386","0.0003","10.1964","0.0005","90","","110.845","0.005","90","","825.94","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-prolinium cocrystal of fumaric acid","S-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0411","0.0357","","","0.0904","0.0931","","","","","","0.933","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507807","9.583","0.001","9.037","0.001","10.179","0.001","90","","110.837","0.009","90","","823.86","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinium cocrystal of fumaric acid","R-pyrrolidinium-2-carboxylate(2E)-but-2-enedioate (1:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C28 H44 N4 O16 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0611","0.0492","","","0.1229","0.1333","","","","","","1.053","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507808","17.2025","0.0006","9.7993","0.0003","27.6106","0.0019","90","","90","","90","","4654.4","0.4","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","DL-prolinium cocrystal of fumaric acid","RS-Pyrrolidinium-2-carboxylate (2E)-but-2-enedioate (2:1)","","- C14 H22 N2 O8 -","- C14 H22 N2 O8 -","- C168 H264 N24 O96 -","12","3","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71075","MoKα","","0.058","0.0463","","","0.1212","0.1291","","","","","","1.101","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4507809","9.8307","0.0005","7.1796","0.0003","12.8464","0.0006","90","","99.217","0.005","90","","895","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","D-prolinamidium fumarate salt","2(R)-carbamoylpyrrolidinium-(2E)-3-carboxyprop-2-enoate hydrate (1:1:1)","","- C14 H26 N4 O7 -","- C14 H26 N4 O7 -","- C28 H52 N8 O14 -","2","1","","Tilborg, Anaëlle; Leyssens, Tom; Norberg, Bernadette; Wouters, Johan","Structural Study of Prolinium/Fumaric Acid Zwitterionic Cocrystals: Focus on Hydrogen-Bonding Pattern Involving Zwitterionic (Ionic) Heterosynthons","Crystal Growth & Design","2013","13","6","2373","","10.1021/cg400081v","","","0.71073","MoKα","","0.0453","0.0404","","","0.0998","0.103","","","","","","1.1","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507810","7.8537","0.0006","7.9722","0.0005","16.0328","0.0018","81.018","0.009","77.284","0.008","66.562","0.005","895.78","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid","","- C20 H14 Cl2 F N O3 -","- C20 H14 Cl2 F N O3 -","- C40 H28 Cl4 F2 N2 O6 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","0.71073","MoKα","","0.0743","0.0384","","","0.0764","0.0888","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507811","7.6611","0.0002","10.3298","0.0003","15.5587","0.0004","82.629","0.002","86.174","0.002","71.791","0.002","1159.49","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, N-methyl-2-pyrrolidone solvate (1:1)","","- C25 H23 Cl2 F N2 O4 -","- C25 H23 Cl2 F N2 O4 -","- C50 H46 Cl4 F2 N4 O8 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","1.54178","CuKα","","0.0302","0.0302","","","0.0789","0.0789","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507812","8.2693","0.0002","13.0633","0.0004","14.2559","0.0004","116.333","0.003","91.503","0.002","105.955","0.003","1307.25","0.08","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, DMSO solvate (1:2)","","- C24 H26 Cl2 F N O5 S2 -","- C24 H26 Cl2 F N O5 S2 -","- C48 H52 Cl4 F2 N2 O10 S4 -","2","1","","Ismail, Salima Z.; Anderton, Clare L.; Copley, Royston C. B.; Price, Louise S.; Price, Sarah L.","Evaluating a Crystal Energy Landscape in the Context of Industrial Polymorph Screening","Crystal Growth & Design","2013","13","6","2396","","10.1021/cg400090r","","","1.54178","CuKα","","0.0285","0.0282","","","0.0794","0.0796","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4507813","12.7841","0.0017","13.3928","0.0018","17.908","0.002","77.941","0.002","79.059","0.002","66.865","0.002","2737.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H73 Cu6 N12 O56 P5 W12 -","- C76 H62 Cu6 N12 O56 P5 W12 -","- C76 H62 Cu6 N12 O56 P5 W12 -","1","0.5","","Tripuramallu, Bharat Kumar; Das, Samar K.","Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures","Crystal Growth & Design","2013","13","6","2426","","10.1021/cg4001347","","","0.71073","MoKα","","0.1035","0.0761","","","0.1582","0.1699","","","","","","1.128","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507814","8.006","0.0007","10.6191","0.0009","12.5398","0.0011","83.594","0.001","75.425","0.001","88.442","0.001","1025.34","0.15","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 Cu N2 O9 P2 V -","- C18 H18 Cu N2 O8.54 P2 V -","- C36 H36 Cu2 N4 O17.08 P4 V2 -","2","1","","Tripuramallu, Bharat Kumar; Das, Samar K.","Hydrothermal Synthesis and Structural Characterization of Metal Organophosphonate Oxide Materials: Role of Metal-Oxo Clusters in the Self Assembly of Metal Phosphonate Architectures","Crystal Growth & Design","2013","13","6","2426","","10.1021/cg4001347","","","0.71073","MoKα","","0.0377","0.0339","","","0.0884","0.0916","","","","","","0.853","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507815","16.673","0.002","11.8338","0.0015","21.255","0.003","90","","99.497","0.002","90","","4136.2","0.9","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H56 B4 N4 O8 -","- C36 H56 B4 N4 O8 -","- C144 H224 B16 N16 O32 -","4","0.5","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.1414","0.1183","","","0.2335","0.2448","","","","","","1.29","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507816","7.633","0.0007","8.0995","0.0007","11.3942","0.001","90","","90","","90","","704.43","0.11","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 B N O2 -","- C7 H8 B N O2 -","- C28 H32 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0418","0.0406","","","0.1016","0.1021","","","","","","1.474","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507817","15.28","0.003","6.9985","0.0015","9.377","0.002","90","","93.884","0.004","90","","1000.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H14 B N O2 -","- C9 H14 B N O2 -","- C36 H56 B4 N4 O8 -","4","0.5","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0548","0.0496","","","0.1046","0.1075","","","","","","1.113","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507818","7.2516","0.0016","9.63","0.002","18.953","0.004","90","","90","","90","","1323.5","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 B N O4 -","- C13 H16 B N O4 -","- C52 H64 B4 N4 O16 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0427","0.0358","","","0.1014","0.106","","","","","","1.087","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507819","7.8233","0.0013","11.795","0.002","11.5767","0.0019","90","","95.779","0.003","90","","1062.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C48 H48 B4 N4 O8 -","4","1","","Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario","Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids","Crystal Growth & Design","2013","13","6","2441","","10.1021/cg400144t","","","0.71073","MoKα","","0.0523","0.046","","","0.1046","0.1085","","","","","","1.079","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507820","15.4331","0.0016","12.9048","0.0013","15.7762","0.0016","90","","90","","90","","3142","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H24 Cu N2 O8 -","- C38 H24 Cu N2 O8 -","- C152 H96 Cu4 N8 O32 -","4","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0532","0.0349","","","0.0693","0.0751","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507821","12.426","0.008","12.012","0.008","10.386","0.007","90","","107.141","0.012","90","","1481.4","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Co N O4 -","- C19 H11 Co N O4 -","- C76 H44 Co4 N4 O16 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0927","0.0556","","","0.1376","0.1678","","","","","","0.999","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507822","12.5108","0.0005","19.1026","0.0008","8.6495","0.0003","90","","100.952","0.001","90","","2029.48","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 Co N6 O8 -","- C50 H34 Co N6 O8 -","- C100 H68 Co2 N12 O16 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0314","0.027","","","0.0702","0.0735","","","","","","0.995","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507823","13.4374","0.0006","16.6277","0.0007","13.6645","0.0006","90","","95.379","0.001","90","","3039.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Co N5 O6 -","- C33 H29 Co N5 O6 -","- C132 H116 Co4 N20 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.061","0.0392","","","0.1041","0.1175","","","","","","1.001","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507824","10.99","0.003","16.233","0.004","18.276","0.004","90","","96.617","0.004","90","","3238.7","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 Cu N5 O6 -","- C33 H29 Cu N5 O6 -","- C132 H116 Cu4 N20 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1124","0.0783","","","0.2563","0.3027","","","","","","0.996","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507825","10.741","0.002","15.253","0.003","19.025","0.004","90","","98.161","0.004","90","","3085.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H29 N5 Ni O6 -","- C33 H29 N5 Ni O6 -","- C132 H116 N20 Ni4 O24 -","4","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0816","0.0508","","","0.1271","0.1473","","","","","","0.997","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507826","9.5305","0.0014","9.8936","0.0014","16.379","0.002","90","","98.188","0.002","90","","1528.6","0.4","273","2","273","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C37 H25 Co N5 O4 -","- C37 H25 Co N5 O4 -","- C74 H50 Co2 N10 O8 -","2","0.5","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.0581","0.0432","","","0.1093","0.1208","","","","","","1.003","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507827","9.37","0.004","12.462","0.006","16.242","0.007","102.593","0.009","95.875","0.008","105.085","0.008","1761.5","1.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H30 Co N5 O6 -","- C37 H30 Co N5 O6 -","- C74 H60 Co2 N10 O12 -","2","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1017","0.0874","","","0.1376","0.1577","","","","","","1.004","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507828","10.496","0.003","16.263","0.004","19.895","0.005","70.954","0.004","81.123","0.005","87.101","0.004","3171.6","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H58 N9 Ni2 O8 -","- C78 H58 N10 Ni2 O8 -","- C156 H116 N20 Ni4 O16 -","2","1","","Fan, Liming; Zhang, Xiutang; Sun, Zhong; Zhang, Wei; Ding, Yuanshuai; Fan, Weiliu; Sun, Liming; Zhao, Xian; Lei, Han","Ancillary Ligands Dependent Structural Diversity of A Series of Metal‒Organic Frameworks Based on 3,5-Bis(3-carboxyphenyl)pyridine","Crystal Growth & Design","2013","13","6","2462","","10.1021/cg400172w","","","0.71073","MoKα","","0.1149","0.0684","","","0.1743","0.2029","","","","","","1.001","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507829","16.337","0.003","12.91","0.002","20.112","0.004","90","","109.601","0.003","90","","3996","1.2","273","2","273","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H76 Cl2 Cu8 La2 N4 O63 S4 -","- C28 H56 Cl2 Cu8 La2 N4 O63 S4 -","- C56 H112 Cl4 Cu16 La4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0754","0.0724","","","0.184","0.1865","","","","","","1.084","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507830","16.055","0.003","13.127","0.003","19.94","0.004","90","","109.1","0.03","90","","3971.1","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H102 Cl2 Cu8 Gd2 N4 O63 S4 -","- C28 H52 Cl2 Cu8 Gd2 N4 O63 S4 -","- C56 H104 Cl4 Cu16 Gd4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0795","0.0587","","","0.148","0.1662","","","","","","1.005","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507831","16.119","0.003","13.126","0.003","19.973","0.004","90","","109.51","0.03","90","","3983.2","1.6","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H102 Cl2 Cu8 Dy2 N4 O63 S4 -","- C28 H52 Cl2 Cu8 Dy2 N4 O63 S4 -","- C56 H104 Cl4 Cu16 Dy4 N8 O126 S8 -","2","0.5","","Zhang, Han; Zhuang, Gui-Lin; Kong, Xiang-Jian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Synthesis, Structures, and Magnetic Properties of Three Decanuclear Ln2Cu8Clusters of Alkylsulfonate","Crystal Growth & Design","2013","13","6","2493","","10.1021/cg400206s","","","0.71073","MoKα","","0.0977","0.0708","","","0.1777","0.2048","","","","","","1.083","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507832","11.958","0.002","24.461","0.005","15.593","0.006","90","","127.316","0.019","90","","3627.4","1.9","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H86 Cl2 N26 Na2 O35 -","- C52 H86 Cl2 N26 Na2 O35 -","- C104 H172 Cl4 N52 Na4 O70 -","2","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0393","0.0362","","","0.0952","0.097","","","","","","1.063","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507833","11.9767","0.0003","24.3621","0.0007","12.6637","0.0003","90","","101.163","0.003","90","","3625.08","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H86 Br2 N26 Na2 O35 -","- C52 H86 Br2 N26 Na2 O35 -","- C104 H172 Br4 N52 Na4 O70 -","2","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0895","0.0767","","","0.2138","0.2226","","","","","","1.07","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507834","11.538","0.002","15.625","0.003","16.875","0.003","116.83","0.03","105.51","0.03","91.18","0.03","2580.3","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H108 F2 N32 Na2 O48 -","- C88 H108 F2 N32 Na2 O48 -","- C88 H108 F2 N32 Na2 O48 -","1","0.5","","Chen, Wen-jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","A Dihalide‒Decahydrate Cluster of [X2(H2O)10]2‒in a Supramolecular Architecture of {[Na2(H2O)6(H2O@TMEQ[6])]·2(C6H5NO3)}X2(H2O)10(TMEQ[6] = α,α′,δ,δ′-Tetramethylcucurbit[6]uril; X = Cl, Br)","Crystal Growth & Design","2013","13","6","2507","","10.1021/cg400227k","","","0.71073","MoKα","","0.0644","0.0569","","","0.169","0.175","","","","","","1.04","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507835","19.913","0.004","16.786","0.003","15.83","0.003","90","","101.76","0.03","90","","5180.3","1.8","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H57 B Cu2 F12 N10 P2 S3 W -","- C38 H57 B Cu2 F12 N10 P2 S3 W -","- C152 H228 B4 Cu8 F48 N40 P8 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0563","0.0436","","","0.0959","0.1039","","","","","","1.069","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507836","13.179","0.003","19.463","0.004","17.204","0.003","90","","103.49","0.03","90","","4291.1","1.6","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 B Cu2 F6 N11 P S3 W -","- C34 H40 B Cu2 F6 N11 P S3 W -","- C136 H160 B4 Cu8 F24 N44 P4 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.1041","0.0774","","","0.1124","0.1225","","","","","","1.171","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507837","13.682","0.003","17.344","0.003","20.525","0.004","90","","105.99","0.03","90","","4682.2","1.7","223","2","223","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C36 H47 B Cu2 F6 N10 O P S3 W -","- C36 H47 B Cu2 F6 N10 O P S3 W -","- C144 H188 B4 Cu8 F24 N40 O4 P4 S12 W4 -","4","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0855","0.054","","","0.1207","0.1406","","","","","","0.99","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507838","18.016","0.004","11.681","0.002","29.185","0.006","90","","99.71","0.03","90","","6054","2","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H29 B Cu2 N9 S3 W -","- C23 H26 B Cu2 N9 S3 W -","- C184 H208 B8 Cu16 N72 S24 W8 -","8","1","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0607","0.0382","","","0.0805","0.091","","","","","","1.02","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507839","30.404","0.006","19.657","0.004","19.683","0.004","90","","127.63","0.03","90","","9316","5","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H83 B2 Cu6 N23 S6 W2 -","- C55 H74 B2 Cu6 N20 S6 W2 -","- C220 H296 B8 Cu24 N80 S24 W8 -","4","0.5","","Xu, Cheng; Zhang, Zhi-Yuan; Ren, Zhi-Gang; Zhou, Li-Kuan; Li, Hong-Xi; Wang, Hui-Fang; Sun, Zhen-Rong; Lang, Jian-Ping","Novel [Tp*WS3Cu2]-Based Coordination Compounds: Assembly, Crystal Structures, and Third-Order Nonlinear Optical Properties","Crystal Growth & Design","2013","13","6","2530","","10.1021/cg400239d","","","0.71073","MoKα","","0.0963","0.069","","","0.1718","0.1855","","","","","","1.18","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507840","18.686","0.007","17.255","0.007","18.508","0.007","90","","111.687","0.008","90","","5545","4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H40 Mo6 N2 Na4 O43 P4 -","- C14 H14 Mo6 N2 Na4 O43.01 P4 -","- C56 H56 Mo24 N8 Na16 O172.04 P16 -","4","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of Dimeric and Tetrameric Complexes of Polyoxomolybdobisphosphonates Built from [(Mo3O8){O3PC(O)(CH2-3-C5NH5)PO3}]2‒Subunits","Crystal Growth & Design","2013","13","6","2540","","10.1021/cg400292g","","","0.71073","MoKα","","0.0811","0.0585","","","0.167","0.1807","","","","","","1.047","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507841","17.799","0.003","17.815","0.003","19.653","0.003","92.461","0.003","90.371","0.002","117.609","0.002","5514.6","1.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H94 Mo12 N4 Na8 O90 P8 -","- C28 H28 Mo12 N4 Na8 O90 P8 -","- C56 H56 Mo24 N8 Na16 O180 P16 -","2","1","","Yang, Lu; Zhou, Zhen; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Assembly of Dimeric and Tetrameric Complexes of Polyoxomolybdobisphosphonates Built from [(Mo3O8){O3PC(O)(CH2-3-C5NH5)PO3}]2‒Subunits","Crystal Growth & Design","2013","13","6","2540","","10.1021/cg400292g","","","0.71073","MoKα","","0.0728","0.0491","","","0.1342","0.1465","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507842","10.5817","0.0008","10.3447","0.0005","15.3496","0.0011","90","","102.719","0.007","90","","1639.01","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 -","- C16 H24 N2 O5 -","- C64 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.1286","0.0791","","","0.1366","0.1561","","","","","","1.115","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507843","10.486","","12.302","","15.444","","74.81","","87.5","","89.97","","1920.7","","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H26 N2 O5 -","- C17 H23 N2 O5 -","- C68 H92 N8 O20 -","4","2","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.1612","0.0898","","","0.2745","0.362","","","","","","1.063","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507844","10.442","0.005","10.962","0.005","16.273","0.005","90","0.005","90","0.005","90","0.005","1862.7","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","","","0.71073","MoKα","","0.2186","0.087","","","0.1423","0.1901","","","","","","1.033","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507845","7.6283","0.0002","10.8525","0.0002","12.901","0.0003","114.352","0.001","94.039","0.001","91.236","0.001","969.08","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O15 Pb3 -","- C12 H12 O15 Pb3 -","- C24 H24 O30 Pb6 -","2","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0294","0.0276","","","0.0675","0.0683","","","","","","1.135","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507846","10.253","0.002","20.192","0.004","8.337","0.002","90","","117.41","0.01","90","","1532.2","0.6","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O5 Pb -","- C16 H12 N2 O5 Pb -","- C64 H48 N8 O20 Pb4 -","4","0.5","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0286","0.0285","","","0.0722","0.0723","","","","","","1.16","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507847","19.2945","0.0016","9.0591","0.0005","7.5483","0.0004","90","","90","","90","","1319.37","0.15","180","2","180","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C4 H4 O4 Pb S -","- C4 H4 O4 Pb S -","- C32 H32 O32 Pb8 S8 -","8","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0311","0.0296","","","0.0667","0.0675","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507848","8.3461","0.0002","8.7744","0.0002","10.9103","0.0002","76.023","0.001","80.584","0.001","77.734","0.001","752.3","0.03","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 N2 O4 Pb S -","- C16 H12 N2 O4 Pb S -","- C32 H24 N4 O8 Pb2 S2 -","2","1","","Gabriel, C.; Raptopoulou, C. P.; Terzis, A.; Psycharis, V.; Gul-E-Noor, F.; Bertmer, M.; Mateescu, C.; Salifoglou, A.","Binary and Ternary Metal‒Organic Hybrid Polymers in Aqueous Lead(II)‒Dicarboxylic Acid‒(Phen) Systems. The Influence of O- and S-Ligand Heteroatoms on the Assembly of Distinct Lattice Architecture, Dimensionality, and Spectroscopic Properties","Crystal Growth & Design","2013","13","6","2573","","10.1021/cg400340y","","","0.71073","MoKα","","0.0163","0.0149","","","0.0339","0.0344","","","","","","1.086","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507849","10.3295","0.0001","10.3295","0.0001","28.5612","0.0003","90","","90","","120","","2639.16","0.05","150","","150","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0444","0.0294","","","0.0693","0.0735","","","","","","1.012","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507850","10.4183","0.0001","10.4183","0.0001","28.6329","0.0003","90","","90","","120","","2691.47","0.05","290","2","290","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C10 H20 N2 O13 U -","- C10 H16 N2 O13 U -","- C60 H96 N12 O78 U6 -","6","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0449","0.0286","","","0.0596","0.0635","","","","","","0.984","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507851","20.9389","0.0004","9.4763","0.0002","14.778","0.0004","90","","122.969","0.0009","90","","2460.11","0.1","290","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H22 N2 O20 U2 -","- C12 H22 N2 O20 U2 -","- C48 H88 N8 O80 U8 -","4","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.05","0.0267","","","0.0468","0.0501","","","","","","0.921","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4507852","7.6069","0.0003","7.8388","0.0003","16.1897","0.0007","79.005","0.001","80.984","0.001","79.579","0.002","924.53","0.06","180","","180","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H22 N2 O15 U -","- C8 H22 N2 O15 U -","- C16 H44 N4 O30 U2 -","2","1","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0554","0.0419","","","0.0917","0.0959","","","","","","1.034","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507853","7.7272","0.0001","8.7359","0.0002","16.2612","0.0003","90","","102.384","0.0008","90","","1072.15","0.03","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 N2 O20 U2 -","- C10 H20 N2 O20 U2 -","- C20 H40 N4 O40 U4 -","2","0.5","","Wang, Lu-Hua; Shang, Ran; Zheng, Zhong; Liu, Chun-Li; Wang, Zhe-Ming","Two Systems of [DabcoH2]2+/[PipH2]2±-Uranyl‒Oxalate Showing Reversible Crystal-to-Crystal Transformations Controlled by the Diammonium/Uranyl/Oxalate Ratios in Aqueous Solutions ([DabcoH2]2+= 1,4-Diazabicyclo-[2.2.2]-octaneH2and [PipH2]2+= PiperazineH2)","Crystal Growth & Design","2013","13","6","2597","","10.1021/cg400364x","","","0.71073","MoKα","","0.0335","0.0256","","","0.0618","0.0639","","","","","","1.019","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507854","24.807","0.004","13.6667","0.0019","14.224","0.002","90","","100.195","0.009","90","","4746.2","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Er6 N5 O32 -","- C35 H25 Er6 N5 O32 -","- C140 H100 Er24 N20 O128 -","4","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0635","0.0426","","","0.0838","0.0908","","","","","","1.066","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507855","13.2964","0.0008","7.0927","0.0004","27.3093","0.0015","90","","90","","90","","2575.5","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H9 Cl Er3 N O10 -","- C7 H9 Cl Er3 N O10 -","- C56 H72 Cl8 Er24 N8 O80 -","8","1","","Silva, Patrícia; Cunha-Silva, Luís; Silva, Nuno J. O.; Rocha, João; Paz, Filipe A. Almeida","Metal‒Organic Frameworks Assembled From Erbium Tetramers and 2,5-Pyridinedicarboxylic Acid","Crystal Growth & Design","2013","13","6","2607","","10.1021/cg400369a","","","0.71073","MoKα","","0.0894","0.055","","","0.1214","0.1343","","","","","","1.181","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507856","29.411","0.004","24.104","0.007","5.966","0.005","90","","100.043","0.005","90","","4165","4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C44 H32 O10 Zn3 -","- C44 H32 O10 Zn3 -","- C88 H64 O20 Zn6 -","2","0.25","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.1052","0.0799","","","0.2025","0.2147","","","","","","0.917","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507857","9.728","0.004","11.672","0.005","14.554","0.005","93.466","0.005","96.367","0.005","93.175","0.005","1636.1","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C60 H52 N4 O8 Zn2 -","2","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0617","0.0523","","","0.1407","0.1563","","","","","","1.076","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507858","10.547","0.005","19.841","0.005","14.599","0.005","90","","102.868","0.005","90","","2978.3","1.9","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C27 H21 N O4 Zn -","- C27 H21 N O4 Zn -","- C108 H84 N4 O16 Zn4 -","4","0.5","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.1231","0.0884","","","0.2161","0.2492","","","","","","0.986","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507859","13.887","0.005","9.302","0.004","32.649","0.005","90","","90","","90","","4217","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H22 N O4 Zn -","- C24 H22 N O4 Zn -","- C192 H176 N8 O32 Zn8 -","8","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0561","0.0472","","","0.1253","0.1335","","","","","","1.053","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507860","40.205","0.005","6.984","0.007","26.098","0.005","90","","118.408","0.005","90","","6446","7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H58 O19 Pb4 -","- C70 H58 O19 Pb4 -","- C280 H232 O76 Pb16 -","4","0.5","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.029","0.0244","","","0.0582","0.0599","","","","","","1.042","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507861","35.402","0.005","15.813","0.006","11.424","0.005","90","","90.361","0.005","90","","6395","4","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C66 H48 O13 Pb3 -","- C66 H48 O13 Pb3 -","- C264 H192 O52 Pb12 -","4","1","","Sahu, Jhasaketan; Ahmad, Musheer; Bharadwaj, Parimal K.","Structural Diversity and Luminescence Properties of Coordination Polymers Built With a Rigid Linear Dicarboxylate and Zn(II)/Pb(II) Ion","Crystal Growth & Design","2013","13","6","2618","","10.1021/cg400376g","","","0.71073","MoKα","","0.0306","0.03","","","0.0755","0.076","","","","","","1.088","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507862","12.287","0.008","12.916","0.008","18.199","0.012","86.733","0.008","70.443","0.008","80.146","0.008","2681","3","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H23 Cl3 Cu3 F6 N10 O7 S2 -","- C31 H23 Cl3 Cu3 F6 N10 O7 S2 -","- C62 H46 Cl6 Cu6 F12 N20 O14 S4 -","2","1","","Mathivathanan, Logesh; Torres-King, Jorge; Primera-Pedrozo, José N.; García-Ricard, Omar J.; Hernández-Maldonado, Arturo J.; Santana, Juan A.; Raptis, Raphael G.","Selective CO2Adsorption on Metal-Organic Frameworks Based on Trinuclear Cu3-Pyrazolato Complexes: An Experimental and Computational Study","Crystal Growth & Design","2013","13","6","2628","","10.1021/cg400382k","","","0.71073","MoKα","","0.2145","0.1718","","","0.4152","0.4365","","","","","","1.368","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507863","10.6341","0.0001","10.7671","0.0001","12.3771","0.0001","67.066","0.008","83.639","0.012","73.758","0.01","1253.05","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 Co N4 O5 -","- C27 H24 Co N4 O5 -","- C54 H48 Co2 N8 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0599","0.0471","","","0.1116","0.1196","","","","","","1.055","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507864","19.708","0.002","24.955","0.003","35.224","0.004","90","","90","","90","","17324","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C93 H90 N14 Ni2 O10 -","- C93 H90 N14 Ni2 O10 -","- C744 H720 N112 Ni16 O80 -","8","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.103","0.0722","","","0.1645","0.1833","","","","","","0.992","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507865","8.5216","0.0006","30.4113","0.0015","11.6223","0.0009","90","","105.554","0.003","90","","2901.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 N5 O5 Zn -","- C30 H29 N5 O5 Zn -","- C120 H116 N20 O20 Zn4 -","4","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.1276","0.0698","","","0.1642","0.1966","","","","","","1.011","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507866","9.479","0.004","11.835","0.005","12.798","0.005","67.543","0.011","76.936","0.015","74.777","0.015","1267.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl2 N4 Ni O5 -","- C27 H22 Cl2 N4 Ni O5 -","- C54 H44 Cl4 N8 Ni2 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0732","0.0451","","","0.0801","0.0892","","","","","","0.971","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507867","9.503","0.003","11.88","0.003","12.818","0.003","67.556","0.009","76.977","0.009","74.837","0.008","1278.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H22 Cl2 Co N4 O5 -","- C27 H22 Cl2 Co N4 O5 -","- C54 H44 Cl4 Co2 N8 O10 -","2","1","","Guo, Jin-Shuang; Xu, Gang; Guo, Guo-Cong; Huang, Jin-Shun","A New Strategy of Designing New Crystal Structures Based on Topological Structure: Syntheses and Crystal Structures of Five Coordination Polymers with (4,4) Topology","Crystal Growth & Design","2013","13","6","2642","","10.1021/cg400394d","","","0.71073","MoKα","","0.0598","0.0401","","","0.0739","0.0783","","","","","","0.926","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4507868","5.703","0.005","10.623","0.01","29.89","0.03","90","","90","","90","","1811","3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 Cd N6 O8 S -","- C12 H10 Cd N6 O8 S -","- C48 H40 Cd4 N24 O32 S4 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0264","0.0258","","","0.0689","0.0695","","","","","","1.143","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507869","17.211","0.002","22.975","0.003","7.2785","0.001","90","","90","","90","","2878.1","0.6","273","2","273","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H20 Cu3 N15 -","- C27 H20 Cu3 N15 -","- C108 H80 Cu12 N60 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0678","0.0416","","","0.0842","0.0969","","","","","","1.024","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507870","6.8486","0.0012","13.2","0.002","23.247","0.004","90","","90","","90","","2101.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 Cd N3 O5 -","- C22 H25 Cd N3 O5 -","- C88 H100 Cd4 N12 O20 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.034","0.0313","","","0.0611","0.0631","","","","","","1.093","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507871","17.687","0.003","12.908","0.002","13.411","0.002","90","","111.402","0.002","90","","2850.7","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H29 Co N3 O6 -","- C32 H28 Co N3 O6 -","- C128 H112 Co4 N12 O24 -","4","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.1968","0.1071","","","0.3241","0.3819","","","","","","1.11","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507872","6.639","0.005","18.167","0.013","9.773","0.007","90","","96.891","0.008","90","","1170.2","1.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H26 Cd N6 O4 -","- C22 H26 Cd N6 O4 -","- C44 H52 Cd2 N12 O8 -","2","1","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.0495","0.048","","","0.1162","0.1176","","","","","","1.094","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507873","10.5112","0.0015","14.073","0.002","13.283","0.002","90","","97.94","0.002","90","","1946","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H44 Cd2 N6 O8 -","- C38 H44 Cd2 N6 O8 -","- C76 H88 Cd4 N12 O16 -","2","0.5","","Chen, Na; Li, Ming-Xing; Yang, Peng; He, Xiang; Shao, Min; Zhu, Shou-Rong","Chiral Coordination Polymers with SHG-Active and Luminescence: An Unusual Homochiral 3D MOF Constructed from Achiral Components","Crystal Growth & Design","2013","13","6","2650","","10.1021/cg400426m","","","0.71073","MoKα","","0.1383","0.0924","","","0.1817","0.1992","","","","","","0.994","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507874","18.2679","0.0003","18.2679","0.0003","15.9522","0.0005","90","","90","","90","","5323.5","0.2","180","2","180","2","","","","","","","","7","P 4/n c c :2","-P 4a 2ac","130","","","","- C24 H18 Cu F6 N4 O4 Si -","- C24 H18 Cu F6 N4 O4 Si -","- C96 H72 Cu4 F24 N16 O16 Si4 -","4","0.25","","Xiong, Shunshun; He, Yabing; Krishna, Rajamani; Chen, Banglin; Wang, Zhiyong","Metal‒Organic Framework with Functional Amide Groups for Highly Selective Gas Separation","Crystal Growth & Design","2013","13","6","2670","","10.1021/cg4004438","","","1.54184","CuKα","","0.0943","0.0812","","","0.2189","0.228","","","","","","1.081","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507875","25.2913","0.0014","33.509","0.0016","18.681","0.0013","90","","90","","90","","15831.9","1.6","291","2","291","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C63 H39 Cu6 N3 O30 -","- C63 H39 Cu6 N3 O30 -","- C252 H156 Cu24 N12 O120 -","4","0.25","","Lu, Zhiyong; Du, Liting; Tang, Kuanzhen; Bai, Junfeng","High H2and CH4Adsorption Capacity of a Highly Porous (2,3,4)-Connected Metal‒Organic Framework","Crystal Growth & Design","2013","13","6","2252","","10.1021/cg400449c","","","0.71073","MoKα","","0.0609","0.0485","","","0.119","0.1205","","","","","","1.008","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507876","20.447","0.004","9.0676","0.0015","14.438","0.003","90","","99.704","0.013","90","","2638.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H27 Cl4 K O10 -","- C16 H27 Cl4.01 K O10 -","- C64 H108 Cl16.04 K4 O40 -","4","0.5","","Li, Shigeng; Luo, Junhua; Sun, Zhihua; Zhang, Shuquan; Li, Lina; Shi, Xiaojun; Hong, Maochun","Phase Transition Triggered by Ordering of Unique Pendulum-Like Motions in a Supramolecular Complex: Potassium Hydrogen Bis(dichloroacetate)-18-Crown-6","Crystal Growth & Design","2013","13","6","2675","","10.1021/cg4004565","","","0.71073","MoKα","","0.0784","0.0467","","","0.1247","0.14","","","","","","0.983","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507877","28.521","0.015","17.446","0.007","22.87","0.011","90","","118.084","0.007","90","","10040","8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H108 Cl16 K4 O40 -","- C64 H108 Cl16 K4 O40 -","- C256 H432 Cl64 K16 O160 -","4","0.5","","Li, Shigeng; Luo, Junhua; Sun, Zhihua; Zhang, Shuquan; Li, Lina; Shi, Xiaojun; Hong, Maochun","Phase Transition Triggered by Ordering of Unique Pendulum-Like Motions in a Supramolecular Complex: Potassium Hydrogen Bis(dichloroacetate)-18-Crown-6","Crystal Growth & Design","2013","13","6","2675","","10.1021/cg4004565","","","0.71073","MoKα","","0.1275","0.089","","","0.2748","0.3172","","","","","","1.091","","","","has coordinates,has disorder","179614","2020-10-21","18:00:00",""
"4507885","10.4949","0.003","10.8924","0.0028","16.581","0.004","90","","90","","90","","1895.5","0.9","295","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O5 -","- C18 H28 N2 O5 -","- C72 H112 N8 O20 -","4","1","","Braga, Dario; Chelazzi, Laura; Grepioni, Fabrizia; Dichiarante, Elena; Chierotti, Michele R.; Gobetto, Roberto","Molecular Salts of Anesthetic Lidocaine with Dicarboxylic Acids: Solid-State Properties and a Combined Structural and Spectroscopic Study","Crystal Growth & Design","2013","13","6","2564","2572","10.1021/cg400331h","powder diffraction","","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","211135","2020-10-21","18:00:00",""
"4507887","4.7301","0.0001","9.5656","0.0002","14.3224","0.0004","90","","98.6768","0.001","90","","640.62","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0458","0.0384","","","0.0953","0.0995","","","","","","1.065","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507888","4.7396","0.0001","9.5921","0.0002","14.3534","0.0004","90","","98.4903","0.0011","90","","645.39","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0542","0.0407","","","0.0988","0.1056","","","","","","1.061","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507889","4.7492","0.0001","9.621","0.0003","14.3919","0.0005","90","","98.2103","0.0011","90","","650.86","0.03","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0511","0.0405","","","0.1004","0.1061","","","","","","1.068","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507890","4.7701","0.0002","9.6744","0.0004","14.4676","0.0007","90","","97.6626","0.0014","90","","661.69","0.05","295","","295","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C34 H28 N4 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0586","0.0414","","","0.0988","0.1082","","","","","","1.046","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507891","10.7404","0.0006","5.7942","0.0003","11.8545","0.0007","90","","98.198","0.002","90","","730.19","0.07","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C40 H28 N4 O2 -","2","0.5","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0833","0.0482","","","0.1165","0.1343","","","","","","1.033","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507892","7.6206","0.0004","10.3117","0.0005","12.7045","0.0006","105.223","0.003","103.786","0.002","105.348","0.002","876.66","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0637","0.0446","","","0.1116","0.1242","","","","","","1.015","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507893","7.626","0.0004","10.3519","0.0005","12.7515","0.0007","105.607","0.003","103.541","0.002","105.414","0.002","882.57","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0723","0.0465","","","0.115","0.1309","","","","","","1.017","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507894","7.6347","0.0004","10.3966","0.0006","12.8041","0.0008","106.014","0.003","103.294","0.002","105.487","0.003","889.41","0.09","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0799","0.0484","","","0.1166","0.1356","","","","","","1.019","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507895","7.6518","0.0004","10.4725","0.0006","12.9054","0.0008","106.787","0.003","102.854","0.002","105.731","0.003","900.81","0.09","275","","275","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0855","0.0501","","","0.1148","0.1363","","","","","","1.034","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507896","7.6609","0.0007","10.494","0.001","13.015","0.0015","110.783","0.003","98.717","0.003","105.803","0.004","904.73","0.16","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 F N4 O -","- C22 H13 F N4 O -","- C44 H26 F2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0858","0.0524","","","0.123","0.1477","","","","","","1.037","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507897","7.6773","0.0002","9.8885","0.0002","12.6815","0.0004","101.432","0.001","97.4697","0.001","103.562","0.0011","901.46","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0576","0.0436","","","0.1187","0.1306","","","","","","1.031","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507898","7.6863","0.0002","9.9399","0.0003","12.7007","0.0004","101.276","0.0012","97.5236","0.0011","103.585","0.0012","908.93","0.05","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0653","0.0469","","","0.1254","0.14","","","","","","1.038","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507899","7.694","0.0002","9.9957","0.0003","12.7215","0.0004","101.109","0.0011","97.6114","0.001","103.613","0.0013","916.71","0.05","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0726","0.0488","","","0.1284","0.1468","","","","","","1.038","","","","has coordinates","179614","2020-10-21","18:00:00",""
"4507900","7.7042","0.0002","10.1234","0.0002","12.7638","0.0004","100.735","0.001","97.817","0.001","103.649","0.001","933.4","0.04","295","","295","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 N4 O -","- C23 H16 N4 O -","- C46 H32 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0849","0.0524","","","0.1253","0.15","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507901","7.6982","0.0002","9.8709","0.0002","12.5206","0.0003","100.783","0.001","96.712","0.001","104.231","0.001","892.59","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0631","0.0405","","","0.0984","0.1091","","","","","","1.019","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507902","7.7418","0.0003","10.1126","0.0003","12.6336","0.0005","100.544","0.0015","97.1909","0.0016","104.797","0.0013","924.63","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl N4 O -","- C22 H13 Cl N4 O -","- C44 H26 Cl2 N8 O2 -","2","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0724","0.0433","","","0.1015","0.1195","","","","","","1.011","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507903","17.5156","0.0003","8.0097","0.0001","18.5347","0.0004","90","","112.379","0.0008","90","","2404.48","0.07","100","","100","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0627","0.0457","","","0.1167","0.1274","","","","","","1.037","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507904","17.7643","0.0004","8.0282","0.0002","18.5926","0.0007","90","","111.596","0.001","90","","2465.45","0.13","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C32 H18 N6 O -","- C32 H18 N6 O -","- C128 H72 N24 O4 -","4","1","","Gilli, Gastone; Bertolasi, Valerio; Gilli, Paola","Solid-State N‒H···O/O‒H···N Tautomerism in Resonance-Assisted 1-(Arylazo)-2-Naphthols and Its Through-Spaceπ* ←πPerturbation in TCNQ Cocrystals. A Variable-Temperature X-ray Crystal Study","Crystal Growth & Design","2013","13","8","3308","","10.1021/cg301546v","","","0.71073","MoKα","","0.0817","0.0474","","","0.1091","0.1311","","","","","","1.017","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507905","11.901","0.0006","11.9734","0.0005","20.6426","0.001","89.483","0.004","74.703","0.004","67.446","0.004","2606.2","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H86 Cu6 I4 N12 O31 -","- C104 H86 Cu6 I4 N12 O31 -","- C104 H86 Cu6 I4 N12 O31 -","1","0.5","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0406","0.0335","","","0.0824","0.0857","","","","","","1.02","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507906","9.146","0.005","17.611","0.009","13.737","0.005","90","","123","0.02","90","","1855.7","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 Cu I N2 O5 -","- C20 H13 Cu I N2 O5 -","- C80 H52 Cu4 I4 N8 O20 -","4","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0372","0.0329","","","0.0831","0.0849","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507907","9.6861","0.0014","10.239","0.0012","11.6714","0.0016","72.355","0.011","76.57","0.012","74.039","0.011","1046.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Cu I N2 O6 -","- C20 H19 Cu I N2 O6 -","- C40 H38 Cu2 I2 N4 O12 -","2","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0932","0.0671","","","0.1589","0.1746","","","","","","1.06","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507908","9.4993","0.0018","9.9848","0.0018","13.335","0.002","79.008","0.015","78.226","0.015","62.978","0.018","1096","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Cu I N4 O4 -","- C22 H17 Cu I N4 O4 -","- C44 H34 Cu2 I2 N8 O8 -","2","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.1069","0.0758","","","0.1859","0.2008","","","","","","1.034","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507909","12.7032","0.0004","22.416","0.0007","14.2465","0.0006","90","","110.593","0.004","90","","3797.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cu I N4 O4 -","- C18 H17 Cu I N4 O4 -","- C144 H136 Cu8 I8 N32 O32 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0443","0.0323","","","0.0724","0.0771","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507910","14.4783","0.0004","17.1227","0.0005","12.352","0.0003","90","","100.97","0.001","90","","3006.2","0.14","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H42 Cu4 I4 N8 O17 -","- C52 H42 Cu4 I4 N8 O17 -","- C104 H84 Cu8 I8 N16 O34 -","2","0.5","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0656","0.0445","","","0.1134","0.1219","","","","","","1.06","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507911","20.136","0.0015","17.888","0.0015","12.2967","0.0014","90","","90","","90","","4429.2","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H19 Cu I N2 O5 -","- C21 H19 Cu I N2 O5 -","- C168 H152 Cu8 I8 N16 O40 -","8","1","","Dong, Ming-Ming; He, Lu-Lu; Fan, Ya-Juan; Zang, Shuang-Quan; Hou, Hong-Wei; Mak, Thomas C. W.","Seven Copper Coordination Polymers Based on 5-Iodo-Isophthalic Acid: Halogen-Related Bonding and N-Donor Auxiliary Ligands Modulating Effect","Crystal Growth & Design","2013","13","8","3353","","10.1021/cg400033s","","","0.71073","MoKα","","0.0575","0.0416","","","0.0943","0.102","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507912","9.4465","0.0019","9.83","0.002","11.903","0.002","70.18","0.03","71.73","0.03","67.28","0.03","937.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Ce N O13 -","- C12 H20 Ce N O13 -","- C24 H40 Ce2 N2 O26 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0291","0.027","","","0.0658","0.0719","","","","","","1.086","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507913","9.3836","0.0019","9.834","0.002","11.888","0.002","70.02","0.03","71.86","0.03","67.37","0.03","930.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N Nd O13 -","- C12 H20 N Nd O13 -","- C24 H40 N2 Nd2 O26 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0301","0.0268","","","0.0658","0.0672","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507914","9.3134","0.0019","9.778","0.002","11.839","0.002","70.28","0.03","72.01","0.03","67.68","0.03","918.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 N O13 Sm -","- C12 H20 N O13 Sm -","- C24 H40 N2 O26 Sm2 -","2","1","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0267","0.0245","","","0.0585","0.0594","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507915","29.709","0.011","8.793","0.005","14.599","0.007","90","","111.261","0.015","90","","3554","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Eu2 N2 O26 -","- C24 H44 Eu2 N2 O26 -","- C96 H176 Eu8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.028","0.0216","","","0.0437","0.0453","","","","","","1.121","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507916","29.7113","0.0008","8.7956","0.0002","14.6009","0.0004","90","","111.409","0.003","90","","3552.35","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Gd2 N2 O26 -","- C24 H44 Gd2 N2 O26 -","- C96 H176 Gd8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0411","0.0259","","","0.0465","0.0539","","","","","","1.039","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507917","29.689","0.006","8.7752","0.0018","14.576","0.003","90","","111.42","0.03","90","","3535.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 N2 O26 Tb2 -","- C24 H44 N2 O26 Tb2 -","- C96 H176 N8 O104 Tb8 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0215","0.0183","","","0.0413","0.0423","","","","","","1.055","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507918","29.692","0.006","8.7398","0.0017","14.523","0.003","90","","111.64","0.03","90","","3503.1","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H44 Er2 N2 O26 -","- C24 H44 Er2 N2 O26 -","- C96 H176 Er8 N8 O104 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.0333","0.0227","","","0.0427","0.0455","","","","","","1.046","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507919","29.373","0.0014","8.7102","0.0003","14.6315","0.0008","90","","113.921","0.006","90","","3421.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 Lu2 N2 O24 -","- C24 H40 Lu2 N2 O24 -","- C96 H160 Lu8 N8 O96 -","4","0.5","","Hou, Guang-Feng; Li, Hong-Xing; Li, Wei-Zuo; Yan, Peng-Fei; Su, Xiao-Hong; Li, Guang-Ming","Two Series of Luminescent Flexible Polycarboxylate Lanthanide Coordination Complexes with Double Layer and Rectangle Metallomacrocycle Structures","Crystal Growth & Design","2013","13","8","3374","","10.1021/cg400174r","","","0.71073","MoKα","","0.036","0.0286","","","0.0575","0.0613","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507920","8.5905","0.0004","15.3257","0.0007","25.5881","0.0011","90","","90","","90","","3368.8","0.3","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 Co N7 O6 -","- C35 H35 Co N7 O6 -","- C140 H140 Co4 N28 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0397","0.0365","","","0.0999","0.1021","","","","","","1.063","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507921","8.5961","0.0011","15.1874","0.0018","25.425","0.003","90","","90","","90","","3319.3","0.7","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H35 N7 Ni O6 -","- C35 H35 N7 Ni O6 -","- C140 H140 N28 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0678","0.0629","","","0.1572","0.1609","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507922","27.153","0.002","15.103","0.002","9.0264","0.0014","90","","107.047","0.002","90","","3539","0.8","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 Co N8 O6 -","- C32 H31 Co N8 O6 -","- C128 H124 Co4 N32 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0773","0.062","","","0.1292","0.1333","","","","","","1.084","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507923","27.488","0.003","14.9399","0.0016","9.0717","0.001","90","","107.373","0.002","90","","3555.5","0.7","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H31 N8 Ni O6 -","- C32 H31 N8 Ni O6 -","- C128 H124 N32 Ni4 O24 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0689","0.0588","","","0.1225","0.1248","","","","","","1.093","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507924","21.453","0.002","16.3701","0.0016","10.3056","0.001","90","","90","","90","","3619.2","0.6","291","2","291","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H33 N7 O11 Zn2 -","- C36 H33 N7 O11 Zn2 -","- C144 H132 N28 O44 Zn8 -","4","1","","Yao, Xiao-Qiang; Hu, Jin-Song; Zhang, Ming-Dao; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Noncentrosymmetric Metal‒Organic Frameworks Featuring a 2D →3D Parallel/Parallel Inclined Subpolycatenation","Crystal Growth & Design","2013","13","8","3381","","10.1021/cg400182u","","","0.71073","MoKα","","0.0474","0.0431","","","0.1027","0.1039","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507925","12.071","0.003","13.885","0.005","17.666","0.007","90","","90","","90","","2960.9","1.7","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 Co N5 O5 -","- C30 H35 Co N5 O5 -","- C120 H140 Co4 N20 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71069","MoKα","","0.08","0.0554","","","0.1456","0.1586","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507926","12.1844","0.0005","12.9184","0.0005","18.8908","0.0007","90","","90","","90","","2973.5","0.2","185","2","185","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N5 Ni O5 -","- C30 H35 N5 Ni O5 -","- C120 H140 N20 Ni4 O20 -","4","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0591","0.0499","","","0.1376","0.1448","","","","","","1.023","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507927","7.4795","0.0006","11.4662","0.0009","23.901","0.002","90","","98.773","0.002","90","","2025.8","0.3","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H23 Cu N3 O4 -","- C22 H23 Cu N3 O4 -","- C88 H92 Cu4 N12 O16 -","4","2","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.149","0.0695","","","0.1054","0.1356","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507928","10.0633","0.0005","13.4316","0.0007","15.0358","0.0007","90","","94.9244","0.0009","90","","2024.83","0.17","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 N6 O8 Zn2 -","- C44 H46 N6 O8 Zn2 -","- C88 H92 N12 O16 Zn4 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0612","0.0445","","","0.0968","0.1053","","","","","","1.032","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507929","10.2397","0.0005","13.565","0.0007","15.0505","0.0008","90","","93.384","0.001","90","","2086.89","0.19","185","2","185","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H46 Cd2 N6 O8 -","- C44 H46 Cd2 N6 O8 -","- C88 H92 Cd4 N12 O16 -","2","1","","Chen, Zilu; Qin, Suni; Liu, Dongcheng; Shen, Yanling; Liang, Fupei","A Series of Coordination Polymers Exhibiting Dual Chiral Features and Diverse Interhelical Interactions","Crystal Growth & Design","2013","13","8","3389","","10.1021/cg4001895","","","0.71073","MoKα","","0.0505","0.0352","","","0.0686","0.0757","","","","","","1.01","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507930","13.4863","0.0018","15.176","0.002","20.111","0.003","84.901","0.01","76.434","0.009","64.154","0.009","3600.6","0.9","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H72 Cl6 Cu6 Gd2 N6 O66 -","- C15 H27 Cu6 Gd2 N6 O32 -","- C30 H54 Cu12 Gd4 N12 O64 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0808","0.0558","","","0.137","0.1468","","","","","","0.976","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507931","13.4763","0.0008","15.1853","0.001","20.1435","0.0013","84.725","0.004","76.5","0.004","64.039","0.004","3603.6","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H82 Cl6 Cu6 N6 O71 Tb2 -","- C15 H27 Cu6 N6 O32 Tb2 -","- C30 H54 Cu12 N12 O64 Tb4 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0541","0.0413","","","0.1017","0.1063","","","","","","0.918","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507932","13.4553","0.0005","15.1834","0.0005","20.134","0.0007","84.834","0.002","76.451","0.002","64.08","0.002","3596.2","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H82 Cl6 Cu6 Dy2 N6 O71 -","- C15 H27 Cu6 Dy2 N6 O32 -","- C30 H54 Cu12 Dy4 N12 O64 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0415","0.0355","","","0.0944","0.0966","","","","","","1.041","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507933","38.074","0.01","38.074","0.01","24.316","0.013","90","","90","","120","","30527","2","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H84 Cl6 Cu6 Gd2 N6 O72 -","- C15 H27 Cu6 Gd2 N6 O33 -","- C270 H486 Cu108 Gd36 N108 O594 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0993","0.0593","","","0.1405","0.1482","","","","","","0.984","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507934","38.002","0.005","38.002","0.005","24.348","0.006","90","","90","","120","","30451","9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C15 H80 Cl6 Cu6 N6 O70 Tb2 -","- C15 H27 Cu6 N6 O33 Tb2 -","- C270 H486 Cu108 N108 O594 Tb36 -","18","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0756","0.0468","","","0.1058","0.1131","","","","","","0.975","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507935","20.983","0.0005","21.9555","0.0005","25.6798","0.0005","75.639","0.001","74.559","0.001","72.725","0.001","10704","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H280 Cl10 Cu24 Gd6 N12 O198 -","- C44 H76 Cu24 Gd6 N12 O94 -","- C88 H152 Cu48 Gd12 N24 O188 -","2","1","","Li, Zhong-Yi; Wang, Yu-Xian; Zhu, Jiang; Liu, Shu-Qin; Xin, Gang; Zhang, Jian-Jun; Huang, He-Qing; Duan, Chun-Ying","Three Series of 3d‒4f Heterometallic Polymers Based on [LnCu6] or [Ln6Cu24] Clusters and Formate Bridges: Displaying Significant Magnetocaloric Effect","Crystal Growth & Design","2013","13","8","3429","","10.1021/cg400333d","","","0.71073","MoKα","","0.0744","0.047","","","0.1139","0.1222","","","","","","0.923","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507936","4.5176","0.00021","9.0468","0.0009","50.241","0.006","110.974","0.012","82.273","0.012","100.754","0.006","1878.5","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","β 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C80 H156 O8 -","2","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.20992","","8.14","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507937","5.05088","0.00025","14.7935","0.0006","51.933","0.006","90","","92.465","0.015","90","","3876.9","0.5","293","","293","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","β' 1,4 butanediol distearate","","","- C40 H78 O4 -","- C40 H78 O4 -","- C160 H312 O16 -","4","1","","Cabus, S.; Bogaerts, K.; Van Mechelen, J.; Smet, M.; Goderis, B.","Monotropic Polymorphism in Ester-Based Phase Change Materials from Fatty Acids and 1,4-Butanediol","Crystal Growth & Design","2013","13","8","3438","","10.1021/cg400339z","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.10927","","3.14","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507938","5.073","0.004","8.309","0.007","26.37","0.02","90","","90","","90","","1111.5","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0611","0.0406","","","0.0917","0.1042","","","","","","1.021","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507939","5.0837","0.0007","8.2864","0.0012","25.802","0.004","90","","90","","90","","1086.9","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C44 H56 N8 O8 -","4","1","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0377","0.0349","","","0.0858","0.0879","","","","","","1.096","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507940","18.024","0.006","4.9974","0.0017","19.569","0.007","90","","104.622","0.005","90","","1705.6","1","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0897","0.0436","","","0.0988","0.1099","","","","","","1.021","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507941","17.44","0.005","5.0094","0.0013","19.515","0.005","90","","105.986","0.005","90","","1639","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C66 H84 N12 O12 -","6","3","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","","","0.71073","MoKα","","0.0788","0.0478","","","0.1047","0.1197","","","","","","1.025","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507942","38.5979","0.0004","4.97425","0.00005","23.1869","0.0003","90","","99.7718","0.0009","90","","4387.19","0.09","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","Ac-Phe-NH2","N-acetyl-L-phenylalanyl-NH2","","- C11 H14 N2 O2 -","- C11 H14 N2 O2 -","- C176 H224 N32 O32 -","16","4","","Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.","Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid","Crystal Growth & Design","2013","13","8","3447","","10.1021/cg400344z","powder diffraction","x-ray","0.69968","synchrotron","","","","","","","","","","1.35","","","","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507943","11.2615","0.0006","11.9601","0.0006","14.7931","0.0006","78.121","0.004","84.854","0.004","88.142","0.004","1941.74","0.17","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H49 B Cu2 N12 O44 W12 -","- C48 H48 B Cu2 N12 O44 W12 -","- C48 H48 B Cu2 N12 O44 W12 -","1","0.5","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0816","0.0526","","","0.0927","0.1051","","","","","","1.044","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507944","15.919","0.003","16.025","0.003","27.627","0.008","90","","123.2","0.02","90","","5897","3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C96 H90 Cu4 N24 O45 Si W12 -","- C96 H80 Cu4 N24 O40 Si W12 -","- C192 H160 Cu8 N48 O80 Si2 W24 -","2","0.5","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.1166","0.0725","","","0.1215","0.1368","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507945","21.6328","0.0009","21.6328","0.0009","21.6328","0.0009","90","","90","","90","","10123.7","0.7","296","2","296","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C72 H72 B Cu3 N18 O45 W12 -","- C72 H60 B Cu3 N18 O40 W12 -","- C288 H240 B4 Cu12 N72 O160 W48 -","4","0.333333","","Wang, Xin; Zhang, Mao-Mao; Hao, Xiu-Li; Wang, Yong-Hui; Wei, Ying; Liang, Fu-Shun; Xu, Li-Jie; Li, Yang-Guang","Polyoxometalate-Induced New Self-Assemblies Based on Copper Ions and Bichelate-Bridging Ligands","Crystal Growth & Design","2013","13","8","3454","","10.1021/cg400353j","","","0.71073","MoKα","","0.0565","0.0415","","","0.0795","0.0844","","","","","","0.953","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507946","12.144","0.005","12.144","0.005","6.824","0.006","90","","90","","90","","1006.4","1.1","296","2","296","2","","","","","","","","6","P 42 n m","P 4n -2n","102","","","","- Al2 B8 Ba4 Br3 Na O18 -","- Al2 B8 Ba4 Br3 Na O18 -","- Al4 B16 Ba8 Br6 Na2 O36 -","2","0.25","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Yang, Zhihua; Dong, Lingyun; Su, Xin; Zhang, Bingbing; Li, Hongyi","Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br3","Crystal Growth & Design","2013","13","8","3514","","10.1021/cg4004774","","","0.71073","MoKα","","0.0328","0.0316","","","0.0986","0.0998","","","","","","1.137","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507947","6.7397","0.0017","11.422","0.003","11.448","0.003","90","","91.906","0.003","90","","880.8","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- B10 Ba4 Cl F2 Na O18 -","- B10 Ba4 Cl F2 Na O18 -","- B20 Ba8 Cl2 F4 Na2 O36 -","2","0.5","","Yu, Hongwei; Pan, Shilie; Wu, Hongping; Yang, Zhihua; Dong, Lingyun; Su, Xin; Zhang, Bingbing; Li, Hongyi","Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br3","Crystal Growth & Design","2013","13","8","3514","","10.1021/cg4004774","","","0.71073","MoKα","","0.0318","0.0258","","","0.0547","0.0574","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507948","10.9619","0.0011","16.0098","0.0014","23.383","0.004","90","","90","","90","","4103.7","0.9","100","2","100","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C61 H33 Br2 N2 O14 Zn2 -","- C61.12 H33.36 Br2 N2 O14 Zn2 -","- C61.12 H33.36 Br2 N2 O14 Zn2 -","1","0.125","","Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties","Crystal Growth & Design","2013","13","8","3528","","10.1021/cg400500t","","","1.54184","CuKα","","0.1584","0.1208","","","0.3308","0.3582","","","","","","1.173","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507949","11.4439","0.0007","15.758","0.0009","23.466","0.002","90","","90","","90","","4231.7","0.5","225","2","225.01","","","","","","","","","6","P m m m","-P 2 2","47","","","","- C56 H30 Br2 N2 O10 Zn2 -","- C56 H30 Br2 N2 O10 Zn2 -","- C56 H30 Br2 N2 O10 Zn2 -","1","0.125","","Nguyen, Huong Giang T.; Weston, Mitchell H.; Sarjeant, Amy A.; Gardner, Daniel M.; An, Zhi; Carmieli, Raanan; Wasielewski, Michael R.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Design, Synthesis, Characterization, and Catalytic Properties of a Large-Pore Metal-Organic Framework Possessing Single-Site Vanadyl(monocatecholate) Moieties","Crystal Growth & Design","2013","13","8","3528","","10.1021/cg400500t","","","1.54184","CuKα","","0.1159","0.0958","","","0.2657","0.2801","","","","","","1.011","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507950","8.1957","0.0002","14.9197","0.0003","16.1595","0.0003","90","","104.386","0.002","90","","1913.98","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O6 -","- C19 H21 N3 O6 -","- C76 H84 N12 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0451","0.037","","","0.0988","0.1062","","","","","","1.035","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507951","5.1527","0.0003","19.4205","0.0011","21.9733","0.001","90","","90","","90","","2198.8","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H23 N3 O6 -","- C24 H23 N3 O6 -","- C96 H92 N12 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0446","0.0368","","","0.0955","0.1014","","","","","","1.025","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507952","5.4481","0.0005","21.0571","0.0012","17.8991","0.0013","90","","94.142","0.007","90","","2048","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.088","0.0614","","","0.155","0.1822","","","","","","1.014","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507953","7.1939","0.0004","11.1238","0.0007","14.8985","0.001","73.134","0.006","89.524","0.005","71.422","0.006","1076.83","0.13","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N Na O11 -","- C18 H28 N Na O11 -","- C36 H56 N2 Na2 O22 -","2","1","","Geng, Na; Chen, Jia-Mei; Li, Zi-Jian; Jiang, Long; Lu, Tong-Bu","Approach of Cocrystallization to Improve the Solubility and Photostability of Tranilast","Crystal Growth & Design","2013","13","8","3546","","10.1021/cg400518w","","","1.54178","CuKα","","0.0532","0.0377","","","0.0859","0.0951","","","","","","1.03","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507954","37.146","0.002","16.6971","0.0011","28.4","0.003","90","","123.883","0.001","90","","14623","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Ce6 H115 Mo29 N3 Na2 O158 -","- Ce6 Mo29 N3 Na2 O158 -","- Ce24 Mo116 N12 Na8 O632 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0464","0.0415","","","0.1064","0.1084","","","","","","1.094","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507955","37.099","0.007","16.71","0.003","28.416","0.009","90","","123.894","0.002","90","","14622","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H115 Mo29 N3 Na2 O158 Pr6 -","- Mo29 N3 Na2 O158 Pr6 -","- Mo116 N12 Na8 O632 Pr24 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0508","0.0372","","","0.0975","0.103","","","","","","1.067","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507956","36.7875","0.0011","16.6158","0.0005","28.2367","0.0008","90","","123.85","","90","","14334.2","0.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H115 Mo29 N3 Na2 O158 Sm6 -","- Mo29 N3 Na2 O158 Sm6 -","- Mo116 N12 Na8 O632 Sm24 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0418","0.0329","","","0.0861","0.0899","","","","","","1.047","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507957","36.688","0.007","16.579","0.004","28.202","0.006","90","","123.874","0.003","90","","14242","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Eu6 H115 Mo29 N3 Na2 O158 -","- Eu6 Mo29 N3 Na2 O158 -","- Eu24 Mo116 N12 Na8 O632 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0368","0.031","","","0.0821","0.0848","","","","","","1.02","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507958","36.921","0.005","16.631","0.002","28.287","0.004","90","","123.872","0.002","90","","14421","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H117 Mo29 N3 Na2 Nd6 O159 -","- Mo29 N3 Na2 Nd6 O159 -","- Mo116 N12 Na8 Nd24 O636 -","4","0.5","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0824","0.0792","","","0.223","0.2244","","","","","","1.069","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507959","17.4348","0.0012","19.4409","0.0014","44.422","0.003","90","","95.529","0.001","90","","14986.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H88 La5 Mo29 N3 Na4 O146 -","- La5 Mo29 N3 Na4 O146 -","- La20 Mo116 N12 Na16 O584 -","4","1","","Wei, Jingjing; Yang, Lu; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","A Series of Multi-Dimensional Lanthanide-Containing Peroxoisopolymolybdates","Crystal Growth & Design","2013","13","8","3554","","10.1021/cg400536e","","","0.71073","MoKα","","0.0585","0.0473","","","0.1265","0.1315","","","","","","1.06","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507960","7.1939","0.0006","13.559","0.0012","20.6036","0.0018","90","","90","","90","","2009.7","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Cu N4 O8 -","- C22 H16 Cu N4 O8 -","- C88 H64 Cu4 N16 O32 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0392","0.0315","","","0.0622","0.0646","","","","","","1.002","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507961","8.6606","0.0011","19.381","0.002","16.032","0.002","90","","96.955","0.002","90","","2671.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cu N4 O10 -","- C25 H25 Cu N4 O10 -","- C100 H100 Cu4 N16 O40 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.103","0.0569","","","0.1365","0.1584","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507962","10.9568","0.0007","17.7717","0.0012","22.2155","0.0015","90","","90","","90","","4325.8","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H50 Cu3 N4 O23 -","- C38 H46 Cu3 N4 O23 -","- C152 H184 Cu12 N16 O92 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0555","0.0477","","","0.1207","0.124","","","","","","1.237","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507963","15.455","0.005","15.314","0.005","18.078","0.008","90","","91.39","0.008","90","","4277","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 Cu N4 O7 -","- C22 H20 Cu N4 O7 -","- C176 H160 Cu8 N32 O56 -","8","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1248","0.1121","","","0.2918","0.2975","","","","","","1.073","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507964","6.8317","0.0006","21.0819","0.0018","15.1676","0.0014","90","","92.992","0.001","90","","2181.5","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cu N4 O6 -","- C24 H22 Cu N4 O6 -","- C96 H88 Cu4 N16 O24 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0281","0.0248","","","0.0668","0.068","","","","","","1.05","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507965","6.9266","0.0006","13.3091","0.0011","15.0058","0.0013","90","","95.106","0.002","90","","1377.8","0.2","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H32 Cu N4 O7 -","- C28 H32 Cu N4 O7 -","- C56 H64 Cu2 N8 O14 -","2","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0586","0.0444","","","0.1253","0.1341","","","","","","1.033","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507966","12.2612","0.0006","16.8753","0.0008","18.5387","0.0009","90","","90","","90","","3835.9","0.3","296","2","296","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C31 H38 Cu2 N4 O17 -","- C31 H38 Cu2 N4 O17 -","- C124 H152 Cu8 N16 O68 -","4","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0567","0.0425","","","0.131","0.1432","","","","","","1.027","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507967","18.41","0.0009","16.2894","0.0008","15.8517","0.0007","90","","108.908","0.001","90","","4497.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cu N4 O9 -","- C21 H22 Cu N4 O9 -","- C168 H176 Cu8 N32 O72 -","8","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0639","0.0419","","","0.1074","0.1182","","","","","","1.014","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507968","8.259","0.003","8.707","0.003","19.798","0.007","92.2","0.006","91.716","0.006","106.706","0.006","1361.4","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H32 Cu N4 O10 -","- C25 H32 Cu N4 O10 -","- C50 H64 Cu2 N8 O20 -","2","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1343","0.0717","","","0.1699","0.2032","","","","","","1.02","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507969","9.5201","0.0004","10.1789","0.0007","17.615","0.001","81.152","0.005","89.833","0.004","67.143","0.006","1551.18","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H78 Cu2 N8 O21 -","- C56 H78 Cu2 N8 O21 -","- C56 H78 Cu2 N8 O21 -","1","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0691","0.0534","","","0.1488","0.1582","","","","","","1.04","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507970","8.956","0.0014","12.184","0.0019","14.2625","0.0016","90","","127.328","0.006","90","","1237.6","0.3","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H26 Cu N4 O9 -","- C28 H17 Cu N4 O9 -","- C56 H34 Cu2 N8 O18 -","2","0.5","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.1219","0.0918","","","0.2518","0.2778","","","","","","1.064","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507971","11.0527","0.0009","11.6626","0.001","13.6265","0.0012","84.478","0.001","69.575","0.002","71.527","0.001","1561","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H36 Cu N4 O10 -","- C30 H36 Cu N4 O10 -","- C60 H72 Cu2 N8 O20 -","2","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0663","0.051","","","0.1386","0.1503","","","","","","1.033","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507972","11.132","0.0005","14.3355","0.0007","11.5297","0.0006","90","","91.768","0.001","90","","1839.07","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Cu N2 O6 -","- C21 H19 Cu N2 O6 -","- C84 H76 Cu4 N8 O24 -","4","1","","Wang, Xiu-Li; Luan, Jian; Sui, Fang-Fang; Lin, Hong-Yan; Liu, Guo-Cheng; Xu, Chuang","Structural Diversities and Fluorescent and Photocatalytic Properties of a Series of CuIICoordination Polymers Constructed from Flexible Bis-pyridyl-bis-amide Ligands with Different Spacer Lengths and Different Aromatic Carboxylates","Crystal Growth & Design","2013","13","8","3561","","10.1021/cg400538c","","","0.71073","MoKα","","0.0289","0.0256","","","0.0701","0.0714","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507973","6.791","0.006","13.527","0.004","12.4615","0.0017","90","","98.507","0.014","90","","1132.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2-nitrophenyl)amino)ethyl methanesulfonate","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0387","0.0352","","","0.0902","0.093","","","","","","1.048","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507974","13.1886","0.0002","10.279","0.0001","8.3635","0.0001","90","","97.17","0.0001","90","","1124.94","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-nitrophenyl)amino)ethyl methanesulfonate","","- C9 H12 N2 O5 S -","- C9 H12 N2 O5 S -","- C36 H48 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0749","0.0584","","","0.1533","0.1629","","","","","","1.148","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507975","7.9887","0.0004","27.0768","0.0019","7.0718","0.0005","90","","94.729","0.005","90","","1524.48","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((2-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0498","0.0404","","","0.1007","0.107","","","","","","1.049","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507976","9.2567","0.0001","18.5024","0.0002","9.7785","0.0001","90","","113.671","0.0001","90","","1533.87","0.03","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-((4-nitrophenyl)amino)ethyl 4-methylbenzenesulfonate","","- C15 H16 N2 O5 S -","- C15 H16 N2 O5 S -","- C60 H64 N8 O20 S4 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0604","0.0491","","","0.127","0.1359","","","","","","1.052","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507977","14.6336","0.0002","7.2215","0.0001","19.5363","0.0002","90","","105.275","0.0001","90","","1991.59","0.04","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-((1,3-phenylenebis(oxy))bis(ethane-2,1-diyl))bis(2-nitroaniline)","","- C22 H22 N4 O6 -","- C22 H22 N4 O6 -","- C88 H88 N16 O24 -","4","0.5","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0446","0.0392","","","0.1011","0.1053","","","","","","1.057","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507978","7.2248","0.0001","16.2084","0.0002","7.566","0.0001","90","","94.468","0.0001","90","","883.3","0.02","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(2-chloroethyl)-2-nitroaniline","","- C8 H9 Cl N2 O2 -","- C8 H9 Cl N2 O2 -","- C32 H36 Cl4 N8 O8 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0464","0.0415","","","0.108","0.1124","","","","","","1.065","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507979","11.9007","0.0001","16.0041","0.0002","7.3763","0.0001","90","","94.387","0.0001","90","","1400.77","0.03","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-butyl (2-((4-nitrophenyl)amino)ethyl) carbonate","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Helttunen, Kaisa; Lehtovaara, Lauri; Häkkinen, Hannu; Nissinen, Maija","Crystal Structures and Density Functional Theory Calculations ofo- andp-Nitroaniline Derivatives: Combined Effect of Hydrogen Bonding and Aromatic Interactions on Dimerization Energy","Crystal Growth & Design","2013","13","8","3603","","10.1021/cg4005714","","","1.54178","CuKα","","0.0673","0.0572","","","0.1522","0.1614","","","","","","1.043","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507980","43.719","0.006","43.719","0.006","8.5159","0.0017","90","","90","","90","","16277","5","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C31 H25 N4 O6 Zn2 -","- C31 H25 N4 O6 Zn2 -","- C496 H400 N64 O96 Zn32 -","16","1","","Li, Ting; Wang, Feng-Lan; Wu, Shu-Ting; Huang, Xi-He; Chen, Shu-Mei; Huang, Chang-Cang","A Highly Chemical and Thermal Stable Porous Metal‒Organic Framework with Unusual 5-ConnectedzfyTopology","Crystal Growth & Design","2013","13","8","3271","","10.1021/cg400587j","","","0.71073","MoKα","","0.1226","0.0613","","","0.1019","0.1269","","","","","","1.054","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507981","8.3066","0.0015","8.3066","0.0015","25.829","0.005","90","","90","","90","","1782.2","0.6","293","2","293","2","","","","","","","synthesis as described","3","P 43 21 2","P 4nw 2abw","96","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0429","0.0408","","","0.1138","0.1163","","","","","","1.064","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507982","8.299","0.002","8.299","0.002","25.826","0.006","90","","90","","90","","1778.7","0.7","293","2","293","2","","","","","","","synthesis as described","3","P 41 21 2","P 4abw 2nw","92","","","","- C11 H11 O2 -","- C11 H11 O2 -","- C88 H88 O16 -","8","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0426","0.0411","","","0.1149","0.1166","","","","","","1.061","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507983","12.1738","0.0005","12.1738","0.0005","51.834","0.003","90","","90","","120","","6652.7","0.5","293","2","293","2","","","","","","","synthesis as described","4","P 31 2 1","P 31 2""","152","","","","- C44 H62 N4 O6 -","- C44 H62 N4 O6 -","- C264 H372 N24 O36 -","6","1","","Mahieux, J.; Sanselme, M.; Harthong, S.; Melan, C.; Aronica, C.; Guy, L.; Coquerel, G.","Preparative Resolution of (±)-Bis-tetralone by Means of Autoseeded Preferential Crystallization Induced by Solvent Evaporation (ASPreCISE)","Crystal Growth & Design","2013","13","8","3621","","10.1021/cg400589u","","x-ray","0.71073","MoKα","","0.0939","0.0904","","","0.2157","0.2217","","","","","","0.977","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507984","9.961","0.003","10.587","0.003","13.73","0.004","90","","90.839","0.015","90","","1447.8","0.7","230","2","230","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Ag2 B2 F8 N10 -","- C24 H22 Ag2 B2 F8 N10 -","- C48 H44 Ag4 B4 F16 N20 -","2","0.5","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0905","0.0412","","","0.0909","0.1135","","","","","","0.939","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507985","13.4083","0.0009","14.0861","0.001","14.0815","0.0008","90","","116.311","0.005","90","","2384.1","0.3","260","2","260","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H23 Ag B F4 N5 O0.5 -","- C18 H23 Ag B F4 N5 O0.5 -","- C72 H92 Ag4 B4 F16 N20 O2 -","4","2","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.141","0.0876","","","0.2084","0.2508","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4507986","17.317","0.016","13.148","0.012","9.133","0.009","90","","90","","90","","2079","3","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H19 Ag B F4 N5 -","- C16 H19 Ag B F4 N5 -","- C64 H76 Ag4 B4 F16 N20 -","4","1","","Durá Gema; Carrión M. Carmen; Jalón Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.","Self-Assembly of Silver(I) and Ditopic Heteroscorpionate Ligands. Spontaneous Chiral Resolution in Helices and Sequence Isomerism in Coordination Polymers","Crystal Growth & Design","2013","13","8","3275","","10.1021/cg400636a","","","0.71073","MoKα","","0.0777","0.0663","","","0.1756","0.1842","","","","","","1.058","","","","has coordinates,has disorder","179615","2020-10-21","18:00:00",""
"4507987","5.317","0.0015","5.9435","0.0012","5.3988","0.0014","90","","116.21","0.03","90","","153.07","0.08","156","2","156","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0581","0.0559","","","0.144","0.1489","","","","","","1.109","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507988","5.3369","0.0009","5.957","0.0006","5.4144","0.0009","90","","116.18","0.02","90","","154.48","0.05","192","2","192","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.032","0.0303","","","0.0802","0.0811","","","","","","1.095","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507989","5.3333","0.0012","5.9723","0.0008","5.4187","0.0011","90","","115.99","0.03","90","","155.14","0.06","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0328","0.032","","","0.0859","0.0876","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507990","5.3385","0.0015","5.9978","0.0014","5.4376","0.0015","90","","116.12","0.03","90","","156.33","0.08","264","2","264","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0426","0.04","","","0.1048","0.1093","","","","","","1.146","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507991","5.3266","0.0013","6.0126","0.001","5.4456","0.0013","90","","115.8","0.03","90","","157.02","0.07","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C2-beta-polymorph","Ethane-1,2-dioic acid","","- C2 H2 O4 -","- C2 H2 O4 -","- C4 H4 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0358","0.0342","","","0.0859","0.0889","","","","","","1.119","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507992","5.1539","0.0004","5.324","0.0004","8.1688","0.0007","108.04","0.007","101.306","0.007","95.29","0.006","206.16","0.03","120","2","120","2","","","","","","","","3","P -1","-P 1","2","C3-120-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0338","0.0314","","","0.0802","0.0822","","","","","","1.099","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507993","5.1579","0.0015","5.3225","0.0013","8.195","0.002","108.09","0.02","101.24","0.02","95.26","0.02","206.94","0.1","140","2","140","2","","","","","","","","3","P -1","-P 1","2","C3-140-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0349","0.0322","","","0.0813","0.0839","","","","","","1.107","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507994","5.1592","0.0005","5.3308","0.0004","8.2401","0.0007","108.181","0.007","101.107","0.007","95.225","0.007","208.48","0.03","180","2","180","2","","","","","","","","3","P -1","-P 1","2","C3-180-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0387","0.0343","","","0.0911","0.0954","","","","","","1.059","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507995","5.1578","0.0004","5.3301","0.0005","8.292","0.0007","108.262","0.008","100.971","0.007","95.138","0.007","209.78","0.03","220","2","220","2","","","","","","","","3","P -1","-P 1","2","C3-220-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0392","0.0348","","","0.0885","0.0926","","","","","","1.08","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507996","5.155","0.0005","5.335","0.0005","8.3448","0.0008","108.4","0.008","100.78","0.008","95.059","0.007","211.24","0.04","260","2","260","2","","","","","","","","3","P -1","-P 1","2","C3-260-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0439","0.0374","","","0.0948","0.1019","","","","","","1.074","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507997","5.1582","0.0006","5.34","0.0006","8.4024","0.0009","108.486","0.01","100.712","0.01","94.95","0.009","213.04","0.04","298","2","298","2","","","","","","","","3","P -1","-P 1","2","C3-298-beta-polymorph","1,3-Propanoic acid","","- C3 H4 O4 -","- C3 H4 O4 -","- C6 H8 O8 -","2","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0474","0.0411","","","0.1007","0.1075","","","","","","1.055","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507998","5.4662","0.0003","8.768","0.0006","5.0205","0.0003","90","","93.043","0.006","90","","240.28","0.03","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0378","0.036","","","0.0949","0.0961","","","","","","1.07","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4507999","5.4768","0.0005","8.7831","0.0007","5.0287","0.0004","90","","92.862","0.007","90","","241.6","0.04","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0358","0.0335","","","0.0932","0.0952","","","","","","1.078","","","","has coordinates","179615","2020-10-21","18:00:00",""
"4508000","5.4793","0.0004","8.794","0.0007","5.0442","0.0003","90","","92.502","0.007","90","","242.82","0.03","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0376","0.0337","","","0.0868","0.0912","","","","","","1.086","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508001","5.4866","0.0004","8.8113","0.0005","5.0564","0.0004","90","","92.25","0.006","90","","244.26","0.03","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0406","0.0365","","","0.0958","0.0989","","","","","","1.073","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508002","5.5072","0.0006","8.8432","0.001","5.075","0.0004","90","","91.878","0.008","90","","247.03","0.04","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0443","0.0397","","","0.1031","0.1074","","","","","","1.055","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508003","5.5198","0.0005","8.8763","0.0008","5.0993","0.0004","90","","91.508","0.008","90","","249.76","0.04","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C4-beta-polymorph","1,4-Butanedioic acid","","- C4 H6 O4 -","- C4 H6 O4 -","- C8 H12 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.71073","MoKα","","0.0478","0.0417","","","0.1147","0.1206","","","","","","1.121","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508004","12.961","0.002","4.7227","0.0008","9.6498","0.0018","90","","98.41","0.018","90","","584.32","0.17","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-120-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0771","0.0735","","","0.2032","0.2119","","","","","","1.144","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508005","12.939","0.002","4.7343","0.0006","9.6827","0.0013","90","","98.244","0.013","90","","587","0.14","140","2","140","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-140-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0759","0.072","","","0.2024","0.2119","","","","","","1.181","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508006","12.978","0.004","4.756","0.0009","9.7382","0.0019","90","","97.85","0.02","90","","595.4","0.2","180","2","180","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-180-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0754","0.0709","","","0.1949","0.2058","","","","","","1.173","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508007","12.915","0.002","4.7781","0.0012","9.7968","0.0018","90","","97.468","0.014","90","","599.4","0.2","220","2","220","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-220-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0765","0.0715","","","0.191","0.1963","","","","","","1.118","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508008","12.9084","0.0017","4.8009","0.0011","9.8512","0.0014","90","","97.242","0.012","90","","605.63","0.18","260","2","260","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-260-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0751","0.0693","","","0.1901","0.1965","","","","","","1.128","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508009","12.89","0.003","4.8194","0.0017","9.917","0.003","90","","96.67","0.02","90","","611.9","0.3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C5-298-beta-polymorph","1,5-Pentanedioic acid","","- C5 H8 O4 -","- C5 H8 O4 -","- C20 H32 O16 -","4","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0796","0.0707","","","0.206","0.2153","","","","","","1.161","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508010","7.1786","0.0012","5.1373","0.0007","9.989","0.003","90","","110.829","0.017","90","","344.31","0.13","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-140-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0745","0.0708","","","0.2083","0.2105","","","","","","1.175","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508011","7.2316","0.0014","5.1523","0.0008","10.033","0.003","90","","111.12","0.02","90","","348.71","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-180-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0744","0.0672","","","0.2165","0.2214","","","","","","1.239","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508012","7.2613","0.0014","5.1409","0.0009","10.05","0.003","90","","111.554","0.018","90","","348.93","0.14","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-220-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0686","0.06","","","0.1787","0.1844","","","","","","1.253","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508013","7.3313","0.0011","5.1522","0.0006","10.104","0.002","90","","111.937","0.015","90","","354.02","0.1","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-260-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0628","0.0516","","","0.1419","0.1498","","","","","","1.134","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508014","7.3738","0.0017","5.152","0.0009","10.151","0.003","90","","112.42","0.02","90","","356.49","0.16","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C6-298-polymorph-I","Hexane-1,6-dioic acid","","- C6 H10 O4 -","- C6 H10 O4 -","- C12 H20 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0647","0.0497","","","0.135","0.1509","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508015","5.5422","0.0002","9.5516","0.0005","16.0334","0.0006","90","","109.573","0.003","90","","799.71","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0453","0.0372","","","0.0938","0.0996","","","","","","1.044","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508016","5.5593","0.0004","9.5787","0.0005","16.0203","0.0009","90","","109.33","0.005","90","","805","0.09","204","2","204","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0504","0.0388","","","0.1031","0.1095","","","","","","1.034","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508017","5.5782","0.0004","9.5993","0.0006","16.0146","0.001","90","","109.001","0.006","90","","810.81","0.1","228","2","228","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0564","0.0415","","","0.1091","0.1179","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508018","5.5944","0.0003","9.6053","0.0006","16.0036","0.0008","90","","108.796","0.005","90","","814.11","0.08","252","2","252","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0607","0.0446","","","0.118","0.128","","","","","","1.027","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508019","5.6139","0.0004","9.6291","0.0006","16.0097","0.0013","90","","108.479","0.006","90","","820.81","0.11","276","2","276","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0682","0.0474","","","0.1251","0.14","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508020","5.6416","0.0005","9.6467","0.0006","15.9929","0.0013","90","","108.176","0.007","90","","826.95","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C7-180-alpha-polymorph","Heptane-1,7-dioic acid","","- C7 H12 O4 -","- C7 H12 O4 -","- C28 H48 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0741","0.0525","","","0.1518","0.1692","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508021","8.7719","0.0005","5.0668","0.0004","9.8849","0.0007","90","","95.924","0.006","90","","436.99","0.05","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-120","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0431","0.0366","","","0.0886","0.0929","","","","","","1.103","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508022","8.7982","0.0006","5.0696","0.0004","9.912","0.0006","90","","96.201","0.006","90","","439.52","0.05","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-140","Octane-1,8-dioic aid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0526","0.0394","","","0.0868","0.0934","","","","","","1.05","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508023","8.8296","0.0006","5.0617","0.0005","9.9496","0.0007","90","","96.65","0.006","90","","441.68","0.06","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-180","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0543","0.042","","","0.1024","0.1101","","","","","","1.092","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508024","8.8774","0.0006","5.0626","0.0004","9.9952","0.0007","90","","97.064","0.006","90","","445.8","0.06","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-220","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.061","0.0411","","","0.0984","0.1119","","","","","","1.044","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508025","8.9252","0.0006","5.0606","0.0004","10.045","0.0008","90","","97.61","0.006","90","","449.71","0.06","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-260","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0683","0.047","","","0.1156","0.1313","","","","","","1.056","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508026","8.957","0.004","5.067","0.004","10.086","0.002","90","","98.15","0.02","90","","453.1","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C8-298","Octane-1,8-dioic acid","","- C8 H14 O4 -","- C8 H14 O4 -","- C16 H28 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0772","0.0502","","","0.1318","0.1467","","","","","","1.064","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508027","5.5124","0.0004","9.4609","0.0006","18.8726","0.0013","90","","95.932","0.007","90","","978.98","0.12","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-120-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0774","0.0689","","","0.1577","0.1612","","","","","","1.181","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508028","5.5209","0.0003","9.4673","0.0007","18.9027","0.0012","90","","96.204","0.006","90","","982.22","0.11","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-140-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0865","0.0705","","","0.1877","0.1943","","","","","","1.203","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508029","5.5365","0.0003","9.4886","0.001","18.9601","0.0014","90","","96.618","0.006","90","","989.41","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-180-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0993","0.0753","","","0.2071","0.2169","","","","","","1.205","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508030","5.5651","0.0004","9.5356","0.0009","19.0072","0.0016","90","","97.132","0.007","90","","1000.84","0.15","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-220-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0936","0.0755","","","0.2379","0.2463","","","","","","1.227","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508031","5.5902","0.0004","9.5563","0.0009","19.0914","0.0014","90","","97.704","0.007","90","","1010.69","0.14","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-260-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.1138","0.0936","","","0.3371","0.3498","","","","","","1.243","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508032","5.6227","0.0004","9.5985","0.0006","19.1796","0.0013","90","","98.299","0.006","90","","1024.27","0.12","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C9-298-alpha-polymorph","Heptane-1,7-dicarboxylic acid","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.1187","0.0948","","","0.2444","0.2569","","","","","","1.091","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508033","15.085","0.002","5.0126","0.0002","9.7915","0.0013","90","","133.79","0.02","90","","534.5","0.2","120","10","120","10","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-120","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0466","0.0356","","","0.093","0.0998","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508034","15.087","0.002","5.0117","0.0003","9.8394","0.0013","90","","133.75","0.02","90","","537.4","0.2","140","2","140","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-140","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0478","0.0377","","","0.0993","0.1051","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508035","15.071","0.003","4.9903","0.0003","9.9427","0.0017","90","","133.64","0.03","90","","541.2","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-180","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0518","0.0392","","","0.105","0.1121","","","","","","1.072","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508036","15.048","0.002","4.9778","0.0003","10.014","0.0017","90","","133.45","0.03","90","","544.6","0.3","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-220","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.063","0.0448","","","0.1143","0.1236","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508037","15.035","0.003","4.9739","0.0003","10.066","0.002","90","","133.29","0.04","90","","547.9","0.4","260","2","260","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-260","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0659","0.0475","","","0.13","0.1429","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508038","15.056","0.004","4.9866","0.0005","10.144","0.003","90","","133.14","0.04","90","","555.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C10-298","1,10-Decanedioic acid","","- C10 H18 O4 -","- C10 H18 O4 -","- C20 H36 O8 -","2","0.5","","Bhattacharya, Suman; Saraswatula, Viswanadha G.; Saha, Binoy K.","Thermal Expansion in Alkane Diacids—Another Property Showing Alternation in an Odd‒Even Series","Crystal Growth & Design","2013","13","8","3651","","10.1021/cg400668w","","","0.7107","MoKα","","0.0856","0.0529","","","0.1331","0.1516","","","","","","1.04","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508039","40.819","0.005","5.554","0.0005","7.0928","0.0007","90","","98.086","0.004","90","","1592","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","Sodium naproxen tetrahydrate","","","- C14 H21 Na O7 -","- C14 H13 Na O7 -","- C56 H52 Na4 O28 -","4","1","","Bond, Andrew D.; Cornett, Claus; Larsen, Flemming H.; Qu, Haiyan; Raijada, Dhara; Rantanen, Jukka","Interpreting the Disordered Crystal Structure of Sodium Naproxen Tetrahydrate","Crystal Growth & Design","2013","13","8","3665","","10.1021/cg400688c","","","0.71073","MoKα","","0.0856","0.052","","","0.1172","0.1354","","","","","","1.011","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508040","9.1759","0.0009","9.1769","0.0009","13.6079","0.0014","92.146","0.002","94.031","0.002","115.264","0.001","1030.81","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium hydrogenmalonate","","- C20 H24 N4 O4 S -","- C20 H24 N4 O4 S -","- C40 H48 N8 O8 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0571","0.0478","","","0.1211","0.1271","","","","","","1.033","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508041","8.805","0.006","9.634","0.006","19.461","0.012","88.035","0.011","83.349","0.011","74.023","0.011","1576.4","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium dimaleate monofumaric acid","","- C29 H32 N4 O12 S -","- C29 H32 N4 O12 S -","- C58 H64 N8 O24 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.1467","0.0972","","","0.1964","0.223","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508042","12.5118","0.001","9.6552","0.0008","19.3403","0.0016","90","","91.066","0.001","90","","2336","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Olanzapinium p-aminobenzoate hemihydrate","","- C24 H27 N5 O3 S -","- C24 H27 N5 O3 S -","- C96 H108 N20 O12 S4 -","4","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0672","0.0605","","","0.154","0.1587","","","","","","1.124","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508043","9.27","0.004","10.539","0.005","15.713","0.007","102.808","0.007","104.176","0.008","95.93","0.008","1431","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Olanzapinium salicylate benzene","","- C33 H35 N4 O3 S -","- C33 H35 N4 O3 S -","- C66 H70 N8 O6 S2 -","2","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.123","0.083","","","0.1593","0.1745","","","","","","1.124","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508044","24.549","0.002","12.5131","0.0011","15.1433","0.0013","90","","125.467","0.001","90","","3788.6","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine acetonitrile monohydrate","","- C17 H20 N4 O S -","- C17 H20 N4 O S -","- C136 H160 N32 O8 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0545","0.05","","","0.1412","0.145","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508045","24.541","0.007","12.459","0.003","15.178","0.004","90","","125.485","0.004","90","","3778.8","1.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine ethanol monohydrate","","- C18 H22 N4 O1.5 S -","- C18 H22 N4 O1.5 S -","- C144 H176 N32 O12 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0792","0.0591","","","0.1545","0.1681","","","","","","1.053","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508046","24.85","0.004","12.4355","0.0017","15.128","0.002","90","","125.521","0.002","90","","3804.9","1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine nitromethane monohydrate","","- C17 H20 N4 O S -","- C17 H20 N4 O S -","- C136 H160 N32 O8 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0794","0.0691","","","0.1695","0.1772","","","","","","1.134","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508047","24.628","0.003","12.5833","0.0015","15.2002","0.0018","90","","125.803","0.002","90","","3820.4","0.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Olanzapine acetone monohydrate","","- C18.5 H25 N4 O1.5 S -","- C18.5 H25 N4 O1.5 S -","- C148 H200 N32 O12 S8 -","8","1","","Thakuria, Ranjit; Nangia, Ashwini","Olanzapinium Salts, Isostructural Solvates, and Their Physicochemical Properties","Crystal Growth & Design","2013","13","8","3672","","10.1021/cg400692x","","","0.71073","MoKα","","0.0595","0.0523","","","0.1472","0.1538","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508048","20.085","0.002","3.7591","0.0004","8.2934","0.001","90","","90","","90","","626.16","0.12","293","2","293","2","","","","","","","synthesis as described","3","P n a 21","P 2c -2n","33","","","","- C7 H6 O3 -","- C7 H6 O3 -","- C28 H24 O12 -","4","1","","Clevers, Simon; Simon, Florent; Sanselme, Morgane; Dupray, Valerie; Coquerel, Gerard","Monotropic Transition Mechanism ofm-Hydroxybenzoic Acid Investigated by Temperature-Resolved Second Harmonic Generation","Crystal Growth & Design","2013","13","8","3697","","10.1021/cg400712s","","x-ray","0.71073","MoKα","","0.0332","0.0319","","","0.0859","0.0871","","","","","","1.052","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508049","6.4777","0.0005","5.0082","0.0004","8.9897","0.0008","90","","95.679","0.008","90","","290.21","0.04","119.9","","119.9","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C8 H8 Li4 O12 -","2","0.5","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0612","0.0459","","","0.1149","0.132","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508050","9.688","0.0005","5.3821","0.0002","11.409","0.0006","90","","93.959","0.005","90","","593.47","0.05","120.1","","120.1","","","","","","","","","4","C 1 c 1","C -2yc","9","Lithium tartrate","Dilithium meso-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0386","0.0343","","","0.0749","0.0778","","","","","","1.062","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508051","12.0809","0.0015","4.9703","0.0006","9.4471","0.0011","90","","91.241","0.011","90","","567.12","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium tartrate","Dilithium D,L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.71073","","","0.0617","0.0495","","","0.1238","0.1288","","","","","","0.976","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508052","15.153","0.006","5.0136","0.0008","10.376","0.004","90","","131.89","0.06","90","","586.8","0.6","120","","120","","","","","","","","","4","C 1 2 1","C 2y","5","Lithium tartrate","Dilithium L-tartrate","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","1","","H.-M. Yeung, Hamish; Kosa, Monica; Parrinello, Michele; Cheetham, Anthony K.","Chiral, Racemic, andMeso-Lithium Tartrate Framework Polymorphs: A Detailed Structural Analysis","Crystal Growth & Design","2013","13","8","3705","","10.1021/cg400741b","","","0.7107","MoKα","","0.0225","0.0221","","","0.0578","0.0581","","","","","","1.046","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508053","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C12 H8.58 O3.33 Zn0.5 -","- C12 H5 O3.33333 Zn0.5 -","- C144 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0957","0.0812","","","0.2488","0.2616","","","","","","1.259","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508054","16.6972","0.0019","16.6972","0.0019","14.3042","0.0018","90","","90","","120","","3453.7","0.7","200","2","200","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C9 H5.67 O3.33 Zn0.5 -","- C9 H5 O3.33333 Zn0.5 -","- C108 H60 O40 Zn6 -","12","1","","Chaudhari, Abhijeet K.; Nagarkar, Sanjog S.; Joarder, Biplab; Ghosh, Sujit K.","A Continuous π-Stacked Starfish Array of Two-Dimensional Luminescent MOF for Detection of Nitro Explosives","Crystal Growth & Design","2013","13","8","3716","","10.1021/cg400749m","","","0.71073","MoKα","","0.0527","0.0424","","","0.1312","0.142","","","","","","0.666","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508055","15.045","0.005","20.017","0.004","9.736","0.005","90","","94.604","0.005","90","","2922.6","1.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cd Fe N6 O7 -","- C30 H22 Cd Fe N6 O7 -","- C120 H88 Cd4 Fe4 N24 O28 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0961","0.0562","","","0.1275","0.1612","","","","","","1.024","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508056","16.023","0.005","24.182","0.006","10.566","0.005","90","","104.666","0.005","90","","3961","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cd N6 O4 -","- C40 H30 Cd N6 O4 -","- C160 H120 Cd4 N24 O16 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.076","0.0556","","","0.1415","0.155","","","","","","0.995","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508057","15.526","0.004","12.813","0.003","10.324","0.002","90","","104.633","0.004","90","","1987.2","0.8","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C40 H30 N6 O4 Zn -","- C40 H30 N6 O4 Zn -","- C80 H60 N12 O8 Zn2 -","2","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1051","0.0857","","","0.2363","0.2475","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508058","8.055","0.005","17.819","0.005","18.976","0.005","90","","100.336","0.005","90","","2679","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cd N6 O4 -","- C32 H22 Cd N6 O4 -","- C128 H88 Cd4 N24 O16 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0733","0.045","","","0.1021","0.1373","","","","","","1.043","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508059","29.729","0.004","16.864","0.005","10.889","0.003","90","","92.976","0.005","90","","5452","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H46 Cd2 N12 O11 -","- C64 H46 Cd2 N12 O11 -","- C256 H184 Cd8 N48 O44 -","4","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0479","0.0329","","","0.0702","0.0764","","","","","","1.031","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508060","11.857","0.005","12.448","0.003","22.213","0.005","101.996","0.005","99.977","0.005","107.559","0.005","2958","1.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H44 Cd2 N12 O12 -","- C65 H44 Cd2 N12 O12 -","- C130 H88 Cd4 N24 O24 -","2","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.0929","0.0699","","","0.1874","0.234","","","","","","1.068","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508061","11.443","0.005","12.965","0.003","17.669","0.005","99.748","0.005","101.328","0.005","103.586","0.005","2433.7","1.4","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","- C98 H76 N30 O10 Zn3 -","1","1","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.104","0.0848","","","0.2247","0.248","","","","","","1.015","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508062","8.733","0.002","22.98","0.005","16.283","0.004","90","","90","","90","","3267.7","1.3","100","2","100","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32 H21 Br2 Co N8 O9 -","- C32 H21 Br2 Co N8 O9 -","- C128 H84 Br8 Co4 N32 O36 -","4","0.5","","Singh, Ruchi; Bharadwaj, Parimal K.","Coordination Polymers Built with a Linear Bis-Imidazole and Different Dicarboxylates: Unusual Entanglement and Emission Properties","Crystal Growth & Design","2013","13","8","3722","","10.1021/cg400756z","","","0.71073","MoKα","","0.1239","0.0954","","","0.2521","0.2782","","","","","","1.048","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508063","6.1278","0.0004","21.8261","0.0013","23.286","0.0013","90","","93.091","0.001","90","","3109.9","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H22 N O3 -","- C16 H22 N O3 -","- C128 H176 N8 O24 -","8","4","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0707","0.0526","","","0.1377","0.1516","","","","","","1.041","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508064","20.4065","0.0014","6.3085","0.0004","19.1306","0.0014","90","","90","","90","","2462.8","0.3","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C22 H22 F4 I2 N O3 -","- C22 H22 F4 I2 N O3 -","- C88 H88 F16 I8 N4 O12 -","4","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0347","0.0271","","","0.0512","0.0544","","","","","","0.984","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508065","9.8175","0.0006","13.4664","0.0008","14.4858","0.0008","113.295","0.001","95.788","0.001","105.232","0.001","1651.29","0.17","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H22 F8 I4 N O3 -","- C28 H22 F8 I4 N O3 -","- C56 H44 F16 I8 N2 O6 -","2","1","","Pang, Xue; Zhao, Xiao Ran; Wang, Hui; Sun, Hao-Ling; Jin, Wei Jun","Modulating Crystal Packing and Magnetic Properties of Nitroxide Free Radicals by Halogen Bonding","Crystal Growth & Design","2013","13","8","3739","","10.1021/cg400776x","","","0.71073","MoKα","","0.0348","0.0285","","","0.0669","0.0697","","","","","","1.067","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508066","17.2454","0.0008","17.2454","0.0008","84.294","0.006","90","","90","","120","","21711","2","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C54 H45 Co7 N0 O36 -","- C54 H39 Co7 O36 -","- C648 H468 Co84 O432 -","12","0.333333","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0572","0.0537","","","0.1595","0.1643","","","","","","1.091","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508067","11.0815","0.0014","12.6742","0.0019","14.523","0.002","91.853","0.008","92.757","0.006","97.818","0.009","2016.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H86 Co6 N2 O28 -","- C74 H76 Co6 N2 O28 -","- C74 H76 Co6 N2 O28 -","1","0.5","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0559","0.0475","","","0.1443","0.1543","","","","","","1.026","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508068","14.3747","0.0015","23.957","0.003","18.633","0.002","90","","90","","90","","6416.7","1.3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C54 H46 Co5 N0 O28 -","- C54 H38 Co5 O28 -","- C216 H152 Co20 O112 -","4","1","","Tian, Chongbin; Lin, Zujin; Du, Shaowu","Three New Three-Dimensional Frameworks Based on Hepta-, Hexa-, and Pentanuclear Cobalt Clusters Derived from Substituted Isophthalic Acids: Synthesis, Structures, and Magnetic Properties","Crystal Growth & Design","2013","13","8","3746","","10.1021/cg4007789","","","0.71073","MoKα","","0.0439","0.0407","","","0.1233","0.1283","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508069","12.1709","0.0011","17.4598","0.0013","16.8831","0.0015","90","","95.199","0.004","90","","3572.9","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H72 Cl4 N12 O22 Pd2 -","- C44 H72 Cl4 N12 O22 Pd2 -","- C88 H144 Cl8 N24 O44 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.1043","0.074","","","0.2138","0.2429","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508070","20.461","0.004","16.581","0.003","11.713","0.002","90","","103.48","0.03","90","","3864.3","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 N16 O32 Pd2 -","- C56 H56 N16 O32 Pd2 -","- C112 H112 N32 O64 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.0672","0.0479","","","0.1359","0.1517","","","","","","1.097","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508071","19.3948","0.0007","8.9515","0.0003","20.0301","0.0006","90","","113.908","0.001","90","","3179.1","0.18","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 Cl4 N14 O16 Pd2 -","- C56 H62 Cl4 N14 O16 Pd2 -","- C112 H124 Cl8 N28 O32 Pd4 -","2","0.5","","Tripathy, Debakanta; Ramkumar, Venkatachalam; Chand, Dillip K.","Toppled Molecular-Domino Sets by Self-Assembly of Self-assembly: The π-Polymers","Crystal Growth & Design","2013","13","8","3763","","10.1021/cg400781x","","","0.71073","MoKα","","0.04","0.034","","","0.0913","0.098","","","","","","1.057","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508072","28.0444","0.001","9.7439","0.0003","13.8917","0.0006","90","","115.716","0.005","90","","3420.1","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) alpha","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C128 H136 Mo8 N24 O48 -","8","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0271","0.0227","","","0.0634","0.0649","","","","","","1.058","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508073","6.6894","0.0002","7.951","0.0003","16.545","0.0004","89.648","0.002","88.077","0.002","86.684","0.003","878.01","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) beta","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C32 H34 Mo2 N6 O12 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0497","0.0296","","","0.0478","0.0507","","","","","","0.921","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508074","8.2387","0.0013","14.45","0.002","14.9022","0.0018","87.511","0.011","83.424","0.012","87.411","0.013","1759.3","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","ethanol(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) gamma","","- C16 H17 Mo N3 O6 -","- C16 H17 Mo N3 O6 -","- C64 H68 Mo4 N12 O24 -","4","2","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0724","0.0544","","","0.1471","0.1586","","","","","","0.985","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508075","28.8951","0.0007","9.6243","0.0002","27.6282","0.0006","90","","90.607","0.002","90","","7682.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cyclo-(tetrakis(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N,N') tetrakis(cis-dioxo molybdenum(VI))-dichloromethane(1/2.5)","","- C30.5 H27 Cl5 Mo2 N6 O10 -","- C30.5 H26 Cl5 Mo2 N6 O10 -","- C244 H208 Cl40 Mo16 N48 O80 -","8","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0417","0.034","","","0.0754","0.0789","","","","","","1.048","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508076","12.8761","0.0007","11.2127","0.0005","17.966","0.0008","90","","100.514","0.005","90","","2550.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","γ-picoline(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI) γ-picoline solvate","","- C26 H25 Mo N5 O5 -","- C26 H25 Mo N5 O5 -","- C104 H100 Mo4 N20 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.044","0.0335","","","0.0806","0.0899","","","","","","1.076","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508077","12.1954","0.0002","10.7126","0.0002","14.7474","0.0002","90","","97.317","0.002","90","","1910.98","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridine(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)-cis- dioxomolybdenum(VI)","","- C19 H16 Mo N4 O5 -","- C19 H16 Mo N4 O5 -","- C76 H64 Mo4 N16 O20 -","4","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0318","0.0274","","","0.075","0.0775","","","","","","1.072","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508078","7.4961","0.0004","11.6335","0.0006","11.938","0.0006","110.363","0.005","102.375","0.004","98.315","0.004","925.62","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","dimethyl sulfoxide(2-oxo-4-methoxybenzaldehyde isonicotinylhydrazonato-O,O',N)- cis-dioxomolybdenum(VI)","","- C16 H17 Mo N3 O6 S -","- C16 H17 Mo N3 O6 S -","- C32 H34 Mo2 N6 O12 S2 -","2","1","","Vrdoljak, Višnja; Prugovečki, Biserka; Matković-Čalogović, Dubravka; Hrenar, Tomica; Dreos, Renata; Siega, Patrizia","Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal‒Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects","Crystal Growth & Design","2013","13","8","3773","","10.1021/cg400782c","","","0.71073","MoKα","","0.0287","0.0243","","","0.0569","0.0585","","","","","","1.058","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508079","6.0616","0.0004","10.9133","0.0007","12.8782","0.0007","72.017","0.003","79.418","0.003","78.143","0.003","786.37","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H8 Na2 O6 S -","- C14 H8 Na2 O6 S -","- C28 H16 Na4 O12 S2 -","2","1","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0765","0.0703","","","0.1541","0.1564","","","","","","1.189","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508080","25.8796","0.0005","13.3553","0.0003","23.34","0.0005","90","","110.287","0.001","90","","7566.6","0.3","295","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H43 K8 N O27 S4 -","- C59 H43 K8 N O27 S4 -","- C236 H172 K32 N4 O108 S16 -","4","0.5","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.1246","0.0663","","","0.2446","0.2921","","","","","","1.055","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508081","12.1526","0.0004","4.8183","0.0002","12.3055","0.0004","90","","109.222","0.002","90","","680.38","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H8 O6 Rb S -","- C14 H8 O6 Rb S -","- C28 H16 O12 Rb2 S2 -","2","0.5","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0676","0.0461","","","0.1171","0.1264","","","","","","1.075","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508082","6.0544","0.0002","12.4991","0.0003","14.7539","0.0005","114.462","0.001","93.213","0.001","100.177","0.001","989.83","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Cs N O8 S -","- C17 H17 Cs N O8 S -","- C34 H34 Cs2 N2 O16 S2 -","2","1","","Senthil Raja, Duraisamy; Luo, Jheng-Hong; Wu, Cheng-You; Cheng, Yu-Jung; Yeh, Chun-Ting; Chen, Ya-Ting; Lo, Sheng-Han; Lai, Yu-Lun; Lin, Chia-Her","Solvothermal Synthesis, Structural Diversity, and Properties of Alkali Metal‒Organic Frameworks Based on V-shaped Ligand","Crystal Growth & Design","2013","13","8","3785","","10.1021/cg400801s","","","0.71073","MoKα","","0.0227","0.0213","","","0.0568","0.0578","","","","","","1.081","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508083","5.7629","0.0012","9.6524","0.0019","18.3","0.004","105.13","0.03","92.04","0.03","97.68","0.03","971.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 La O11 P2 -","- C16 H17 La O11 P2 -","- C32 H34 La2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0553","0.0499","","","0.0978","0.1002","","","","","","1.079","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508084","5.742","0.003","9.574","0.004","18.271","0.01","105.13","0.019","92.58","0.02","97.44","0.02","958.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Ce O11 P2 -","- C16 H17 Ce O11 P2 -","- C32 H34 Ce2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0301","0.0261","","","0.0843","0.1046","","","","","","1.244","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508085","5.733","0.0011","9.5336","0.0019","18.32","0.004","104.92","0.03","92.48","0.03","97.31","0.03","956.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Pr -","- C16 H17 O11 P2 Pr -","- C32 H34 O22 P4 Pr2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0185","0.0177","","","0.0443","0.0445","","","","","","1.094","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508086","5.728","0.0011","9.5108","0.0019","18.379","0.004","104.68","0.03","92.6","0.03","97.38","0.03","957.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Nd O11 P2 -","- C16 H17 Nd O11 P2 -","- C32 H34 Nd2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0211","0.0192","","","0.0429","0.0436","","","","","","1.081","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508087","5.7113","0.0011","9.4497","0.0019","18.326","0.004","104.47","0.03","92.56","0.03","97.42","0.03","946.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Sm -","- C16 H17 O11 P2 Sm -","- C32 H34 O22 P4 Sm2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.032","0.029","","","0.0639","0.0649","","","","","","1.077","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508088","5.6768","0.0011","9.3899","0.0019","18.342","0.004","104.31","0.03","92.64","0.03","97.22","0.03","936.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Eu O11 P2 -","- C16 H17 Eu O11 P2 -","- C32 H34 Eu2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0218","0.0198","","","0.044","0.0446","","","","","","1.03","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508089","5.6641","0.0011","9.379","0.0019","18.359","0.004","104.23","0.03","92.26","0.03","97.44","0.03","934.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Gd O11 P2 -","- C16 H17 Gd O11 P2 -","- C32 H34 Gd2 O22 P4 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0194","0.0185","","","0.0588","0.0592","","","","","","1.211","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508090","5.6716","0.0011","9.3586","0.0019","18.379","0.004","104.11","0.03","92.62","0.03","97.36","0.03","935.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 O11 P2 Tb -","- C16 H17 O11 P2 Tb -","- C32 H34 O22 P4 Tb2 -","2","1","","Liu, Yi-Fu; Hou, Guang-Feng; Yu, Ying-Hui; Yan, Peng-Fei; Li, Jian-Yue; Li, Guang-Ming; Gao, Jin-Sheng","pH-Dependent Syntheses, Luminescent, and Magnetic Properties of Two-Dimensional Framework Lanthanide Carboxyarylphosphonate Complexes","Crystal Growth & Design","2013","13","8","3816","","10.1021/cg400877g","","","0.71073","MoKα","","0.0287","0.0267","","","0.0658","0.0666","","","","","","1.053","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508091","6.8748","0.0003","10.7986","0.0004","18.2305","0.0007","90","","94.223","0.004","90","","1349.73","0.09","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE Form-I","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0511","0.0395","","","0.0907","0.0976","","","","","","1.02","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508092","6.9104","0.0002","10.8234","0.0004","18.2296","0.0006","90","","94.294","0.003","90","","1359.64","0.08","156","2","156","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0547","0.0394","","","0.0903","0.0979","","","","","","1.034","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508093","6.9338","0.0003","10.8248","0.0004","18.2357","0.0007","90","","94.401","0.004","90","","1364.68","0.09","192","2","192","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0574","0.04","","","0.0926","0.1028","","","","","","1.017","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508094","6.9716","0.0003","10.8431","0.0004","18.2505","0.0006","90","","94.553","0.004","90","","1375.27","0.09","228","2","228","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0606","0.0422","","","0.0969","0.1076","","","","","","1.038","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508095","7.0029","0.0003","10.836","0.0004","18.2332","0.0007","90","","94.677","0.004","90","","1378.99","0.09","264","2","264","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0765","0.0468","","","0.1007","0.1175","","","","","","1.024","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508096","7.0554","0.0006","10.8554","0.0007","18.2901","0.001","90","","94.888","0.007","90","","1395.73","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CBTA.BPE Form-I","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph I","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.081","0.0495","","","0.1048","0.1195","","","","","","1.043","","","","has coordinates","179616","2020-10-21","18:00:00",""
"4508097","7.3413","0.0006","11.2894","0.0009","18.0267","0.001","74.151","0.006","89.959","0.006","71.697","0.007","1358.6","0.19","120","6","120","6","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1381","0.1005","","","0.2728","0.3238","","","","","","1.045","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508098","7.3787","0.0004","11.3067","0.0005","18.0459","0.0008","73.991","0.004","89.73","0.004","71.657","0.004","1368.06","0.12","156","2","156","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.0979","0.0756","","","0.1923","0.2144","","","","","","1.039","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508099","7.3932","0.0004","11.3015","0.0006","18.0214","0.0009","74.256","0.005","89.781","0.005","71.829","0.005","1371.61","0.14","192","2","192","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1035","0.0761","","","0.1931","0.2176","","","","","","1.048","","","","has coordinates,has disorder","179616","2020-10-21","18:00:00",""
"4508100","7.4344","0.0003","11.3195","0.0006","18.0616","0.001","74.321","0.005","89.68","0.004","71.924","0.004","1386.07","0.13","228","2","228","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1063","0.0777","","","0.1872","0.2101","","","","","","1.034","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508101","7.4722","0.0004","11.3259","0.0006","18.0537","0.001","74.282","0.005","89.53","0.004","71.922","0.005","1393.33","0.14","264","2","264","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1118","0.0765","","","0.1911","0.2192","","","","","","1.054","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508102","7.4898","0.0003","11.3144","0.0007","18.0141","0.001","74.261","0.005","89.423","0.004","71.923","0.005","1392.21","0.14","298","2","298","2","","","","","","","","4","P -1","-P 1","2","CBTA.BPE-Form-II","cyclobutane-1,2,3,4-tetracarboxylic acid, (E)-1,2-di(pyridin-4-yl)ethene complex polymorph II","","- C32 H28 N4 O8 -","- C32 H28 N4 O8 -","- C64 H56 N8 O16 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Interaction Dependence and Similarity in Thermal Expansion of a Dimorphic 1D Hydrogen-Bonded Organic Complex","Crystal Growth & Design","2013","13","8","3299","","10.1021/cg4009174","","","0.7107","MoKα","","0.1185","0.0769","","","0.1869","0.218","","","","","","1.035","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508103","17.2532","0.0005","12.9657","0.0004","6.6115","0.0002","90","","111.443","0.002","90","","1376.62","0.07","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H30 Mg3 O24 -","- C18 H30 Mg3 O24 -","- C36 H60 Mg6 O48 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0465","0.0365","","","0.0841","0.0891","","","","","","1.055","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508104","7.8423","0.0005","8.7463","0.0005","10.7163","0.0008","101.274","0.003","91.868","0.003","96.042","0.003","715.79","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H14 Mg2 O13 -","- C9 H14 Mg2 O13 -","- C18 H28 Mg4 O26 -","2","1","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.1233","0.0902","","","0.2508","0.2721","","","","","","1.143","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508105","7.7922","0.0002","7.7932","0.0002","7.7929","0.0002","66.135","0.004","66.148","0.004","66.148","0.004","379.06","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H6 Mg3 O12 -","- C18 H6 Mg3 O12 -","- C18 H6 Mg3 O12 -","1","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.1413","0.0854","","","0.2111","0.2552","","","","","","1.074","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508106","5.1286","0.0001","12.9832","0.0004","15.1717","0.0004","90","","97.17","0.05","90","","1002.32","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Mg O16 -","- C18 H18 Mg O16 -","- C36 H36 Mg2 O32 -","2","0.5","","Mazaj, Matjaž; Birsa Čelič, Tadeja; Mali, Gregor; Rangus, Mojca; Kaučič, Venčeslav; Zabukovec Logar, Nataša","Control of the Crystallization Process and Structure Dimensionality of Mg‒Benzene‒1,3,5-Tricarboxylates by Tuning Solvent Composition","Crystal Growth & Design","2013","13","8","3825","","10.1021/cg400929z","","","0.71073","MoKα","","0.0569","0.0381","","","0.1086","0.1485","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508116","9.242","0.0018","18.201","0.004","9.727","0.0019","90","","105.11","0.03","90","","1579.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cd N2 O5 -","- C16 H14 Cd N2 O5 -","- C64 H56 Cd4 N8 O20 -","4","1","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0348","0.0315","","","0.0849","0.0862","","","","","","1.045","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508117","10.17","0.002","20.659","0.004","7.672","0.0015","90","","104.26","0.03","90","","1562.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Cd N O6 -","- C17 H15 Cd N O6 -","- C68 H60 Cd4 N4 O24 -","4","0.5","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0235","0.0223","","","0.0587","0.0592","","","","","","1.156","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508118","10.226","0.002","20.706","0.004","7.5525","0.0015","90","","90","","90","","1599.2","0.5","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C17 H11 Cd N3 O4 -","- C17 H7 Cd N3 O4 -","- C68 H28 Cd4 N12 O16 -","4","0.25","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.059","0.0447","","","0.0968","0.1011","","","","","","1.067","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508119","20.827","0.004","10.148","0.002","11.79","0.002","90","","105.86","0.03","90","","2397","0.9","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C23 H16 Cd N3 O4.5 -","- C23 H7 Cd N3 O4.515 -","- C92 H28 Cd4 N12 O18.06 -","4","0.5","","Wang, Fang; Jing, Xuemin; Zheng, Bing; Li, Guanghua; Zeng, Guang; Huo, Qisheng; Liu, Yunling","Four Cd-Based Metal‒Organic Frameworks with Structural Varieties Derived from the Replacement of Organic Linkers","Crystal Growth & Design","2013","13","8","3522","","10.1021/cg400486q","","","0.71073","MoKα","","0.0637","0.0569","","","0.1579","0.1615","","","","","","1.144","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508122","47.4","0.004","9.611","0.0007","17.8051","0.0013","90","","92.21","0.001","90","","8105.3","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 Co3 N8 O18 -","- C58 H44 Co3 N8 O18 -","- C232 H176 Co12 N32 O72 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1592","0.0752","","","0.1631","0.1755","","","","","","1.035","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508123","16.407","0.0008","22.5138","0.0015","30.5117","0.0019","90","","90","","90","","11270.5","1.2","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C58 H28 F12 N4 O12 Zn2 -","- C58 H28 F12 N4 O12 Zn2 -","- C232 H112 F48 N16 O48 Zn8 -","4","0.5","","Han, Lei; Xu, Lan-Ping; Qin, Lan; Zhao, Wen-Na; Yan, Xiao-Zhi; Yu, Lei","Syntheses, Crystal Structures, and Physical Properties of Two Noninterpenetrated Pillar-Layered Metal‒Organic Frameworks Based onN,N′-Di(4-pyridyl)-1,4,5,8-naphthalenetetracarboxydiimide Pillar","Crystal Growth & Design","2013","13","10","4260","","10.1021/cg400454c","","","0.71073","MoKα","","0.1465","0.0947","","","0.2635","0.3007","","","","","","0.971","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508124","16.251","0.0006","18.0786","0.0007","18.6411","0.0006","90","","90","","90","","5476.7","0.3","100.05","0.1","100.05","0.1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C54 H44 Ag2 F6 N16 O6 S2 -","- C54 H44 Ag2 F6 N16 O6 S2 -","- C216 H176 Ag8 F24 N64 O24 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0304","0.0265","","","0.0656","0.0688","","","","","","1.044","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508125","33.001","0.002","11.547","0.0004","19.8795","0.0013","90","","124.041","0.009","90","","6277.2","0.9","100","0.1","100","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30.5 H26 Ag F3 N8 O3 S -","- C30.5 H26 Ag F3 N8 O3 S -","- C244 H208 Ag8 F24 N64 O24 S8 -","8","1","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.0709","0.0649","","","0.1758","0.1852","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508126","8.31","0.0003","13.3694","0.0005","13.6725","0.0006","76.094","0.004","82.749","0.003","81.674","0.003","1452.33","0.1","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C28 H23.5 Ag F3 N8.5 O3 S -","- C28 H23.5 Ag F3 N8.5 O3 S -","- C56 H47 Ag2 F6 N17 O6 S2 -","2","1","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0392","0.0304","","","0.0611","0.0664","","","","","","1.079","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508127","14.34228","0.00016","14.34228","0.00016","32.9099","0.0006","90","","90","","90","","6769.6","0.16","100","0.1","100","0.1","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C60 H55 Ag2 F6 N18 O6.5 S2 -","- C240 H220 Ag8 F24 N72 O26 S8 -","4","0.5","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","1.5418","CuKα","","0.056","0.0526","","","0.1431","0.1471","","","","","","1.065","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508128","14.7117","0.0005","15.2436","0.0005","15.738","0.0006","87.494","0.003","78.842","0.003","66.093","0.003","3163.2","0.2","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C29.79 H26.18 Ag F3 N9.39 O3 S -","- C29.789 H26.1835 Ag F3 N9.3945 O3 S -","- C119.156 H104.734 Ag4 F12 N37.578 O12 S4 -","4","2","","Gardinier, James R.; Tatlock, Heidi M.; Hewage, Jeewantha S.; Lindeman, Sergey V.","Cyclic versus Polymeric Supramolecular Architectures in Metal Complexes of Dinucleating Ligands: Silver(I) Trifluoromethanesulfonate Complexes of the Isomers of Bis(di(1H-pyrazolyl)methyl)-1,1′-biphenyl.","Crystal Growth & Design","2013","13","9","3864","","10.1021/cg400466k","","","0.7107","MoKα","","0.0828","0.0705","","","0.162","0.1671","","","","","","1.212","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508129","5.9421","0.0012","17.846","0.004","19.075","0.004","90","","90","","90","","2022.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C72 H40 Cl24 N16 O8 -","8","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.71073","MoKα","","0.0343","0.0294","","","0.0737","0.0764","","","","","","1.066","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508130","9.961","0.002","10.44","0.002","11.012","0.002","97.45","0.03","103.8","0.03","110.22","0.03","1014.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H5 Cl3 N2 O -","- C9 H5 Cl3 N2 O -","- C36 H20 Cl12 N8 O4 -","4","2","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0229","0.0228","","","0.0615","0.0616","","","","","","1.085","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508131","6.382","0.0013","11.442","0.002","12.786","0.003","90","","90","","90","","933.7","0.3","100","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 Cl3 N O -","- C7 H6 Cl3 N O -","- C28 H24 Cl12 N4 O4 -","4","1","","Rybarczyk-Pirek, Agnieszka J.; Chęcińska, Lilianna; Małecka, Magdalena; Wojtulewski, Sławomir","Intermolecular Interactions of Trichloromethyl Group in the Crystal State, the Case of 2-Trichloromethyl-3H-4-quinazoline Polymorphs and 1-Methyl-2-trichloroacetylpyrrole‒Hirshfeld Surface Analysis of Chlorine Halogen Bonding","Crystal Growth & Design","2013","13","9","3913","","10.1021/cg400584w","","","0.6","synchrotron","","0.0186","0.0186","","","0.0483","0.0483","","","","","","1.102","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508132","4.608","0.0003","17.0454","0.0008","7.5462","0.0004","90","","90","","90","","592.72","0.06","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Au Eu In4 -","- Au Eu In4 -","- Au4 Eu4 In16 -","4","0.25","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0286","0.025","","","0.0733","0.0936","","","","","","0.776","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508133","18.5987","0.0007","4.6616","0.0002","7.4669","0.0003","90","","90","","90","","647.38","0.05","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Au2 Eu In4 -","- Au2 Eu In4 -","- Au8 Eu4 In16 -","4","0.5","","Sarkar, Sumanta; Gutmann, Matthias J.; Peter, Sebastian C.","Crystal Structure and Magnetic Properties of Indium Flux Grown EuAu2In4and EuAuIn4","Crystal Growth & Design","2013","13","10","4285","","10.1021/cg400619p","","","0.71073","MoKα","","0.0414","0.0367","","","0.0961","0.101","","","","","","1.077","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508134","6.8072","0.0014","9.4831","0.0019","24.016","0.005","90","","94.459","0.004","90","","1545.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-hydroxybenzoic acid).(acridine) form I","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C80 H60 N4 O12 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0623","0.0472","","","0.1364","0.1471","","","","","","1.056","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508135","7.0913","0.0018","9.287","0.002","12.972","0.003","72.937","0.005","75.915","0.005","80.609","0.005","788.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxybenzoic acid).(acridine) Form II","","- C20 H15 N O3 -","- C20 H15 N O3 -","- C40 H30 N2 O6 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0912","0.0452","","","0.113","0.1356","","","","","","0.908","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508136","10.222","0.003","11.687","0.003","11.903","0.003","110.667","0.005","99.266","0.006","100.742","0.006","1266.8","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxybenzoic acid).bis(acridine)","","- C33 H24 N2 O3 -","- C33 H24 N2 O3 -","- C66 H48 N4 O6 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1179","0.0484","","","0.1272","0.163","","","","","","0.976","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508137","7.042","0.006","7.28","0.006","14.536","0.011","77.364","0.015","80.549","0.017","65.514","0.015","659.5","0.9","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","(2,4-dihydroxybenzoic acid).(nicotinamide) methanol solvate","","- C14 H16 N2 O6 -","- C14 H16 N2 O6 -","- C28 H32 N4 O12 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.095","0.0642","","","0.1666","0.1944","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508138","5.8411","0.0009","8.1695","0.0014","13.4181","0.0019","96.617","0.005","91.353","0.004","94.753","0.007","633.49","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(2,4-dihydroxybenzoic acid).(nicotinamide) Form I","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0732","0.0416","","","0.1092","0.1269","","","","","","1.031","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508139","12.464","0.003","8.2856","0.0016","12.665","0.003","90","","109.579","0.005","90","","1232.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2,4-dihydroxybenzoic acid).(nicotinamide) Form II","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C52 H48 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0985","0.0484","","","0.0886","0.1011","","","","","","0.951","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508140","32.783","0.003","4.0815","0.0003","12.4392","0.0007","90","","90","","90","","1664.4","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(malonic acid).bis(nicotinamide) Form I","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.046","0.0386","","","0.1055","0.1107","","","","","","1.093","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508141","11.804","0.003","5.336","0.0013","25.121","0.006","90","","94.484","0.005","90","","1577.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(malonic acid).bis(nicotinamide) Form II","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.0776","0.0384","","","0.091","0.1103","","","","","","0.997","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508142","8.838","0.003","31.514","0.008","5.252","0.002","90","","90","","90","","1462.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(nicotinamide).(pimelic acid) Form II","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C52 H72 N8 O20 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Esterhuysen, Catharine; Bernstein, Joel","Polymorphic Co-crystals from Polymorphic Co-crystal Formers: Competition between Carboxylic Acid...Pyridine and Phenol...Pyridine Hydrogen Bonds","Crystal Growth & Design","2013","13","9","3935","","10.1021/cg4006357","","","0.71073","MoKα","","0.1857","0.0909","","","0.2345","0.3072","","","","","","1.02","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508143","10.51506","0.00016","13.333","0.0002","20.3036","0.0003","90","","96.6413","0.0014","90","","2827.41","0.07","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl2 N4 O8 -","- C28 H30 Cl2 N4 O8 -","- C112 H120 Cl8 N16 O32 -","4","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0503","0.0435","","","0.1121","0.1171","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508144","10.5094","0.0006","11.7425","0.0006","13.4568","0.0005","96.238","0.004","98.973","0.004","105.33","0.005","1562.26","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl2 N4 O8 -","- C30 H32 Cl2 N4 O8 -","- C60 H64 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0775","0.071","","","0.2215","0.2332","","","","","","1.699","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508145","10.5261","0.0008","11.7297","0.0009","13.458","0.0011","95.287","0.006","99.302","0.007","104.429","0.007","1572.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N4 O8 -","- C30 H33 Cl2 N4 O8 -","- C60 H66 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0931","0.0749","","","0.2136","0.2341","","","","","","1.437","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508146","5.8721","0.0003","8.3797","0.0004","34.4919","0.0014","92.623","0.004","93.859","0.004","103.791","0.004","1641.21","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Cl2 N4 O8 -","- C32 H38 Cl2 N4 O8 -","- C64 H76 Cl4 N8 O16 -","2","1","","Martin, Flavia A.; Pop, Mihaela M.; Borodi, Gheorghe; Filip, Xenia; Kacso, Irina","Ketoconazole Salt and Co-crystals with Enhanced Aqueous Solubility","Crystal Growth & Design","2013","13","10","4295","","10.1021/cg400638g","","","1.5418","CuKα","","0.0766","0.0689","","","0.19","0.2033","","","","","","1.318","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508147","13.5699","0.0014","12.2549","0.0013","38.232","0.004","90","","97.443","0.001","90","","6304.3","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cd4 N18 O14 -","- C58 H48 Cd4 N18 O14 -","- C232 H192 Cd16 N72 O56 -","4","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.09","0.0647","","","0.1825","0.1987","","","","","","1.088","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508148","9.685","0.002","15.572","0.004","17.089","0.004","79.553","0.003","74.687","0.003","75.355","0.003","2386.8","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H36 Cd2 N18 O10 -","- C47 H32 Cd2 N18 O10 -","- C94 H64 Cd4 N36 O20 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.1843","0.0892","","","0.23","0.2785","","","","","","1.041","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508149","19.141","0.003","13.3566","0.0017","15.726","0.002","90","","103.586","0.002","90","","3908","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 N9 O2 Zn -","- C19 H15 N9 O2 Zn -","- C152 H120 N72 O16 Zn8 -","8","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.1193","0.068","","","0.2024","0.2379","","","","","","1.047","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508150","11.121","0.004","11.668","0.004","11.743","0.004","68.637","0.004","77.481","0.004","80.178","0.004","1378.3","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H13 Cu Mo4 N9 O13 -","- C19 H13 Cu Mo4 N9 O13 -","- C38 H26 Cu2 Mo8 N18 O26 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.106","0.0722","","","0.1871","0.2117","","","","","","1.04","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508151","10.2565","0.0014","13.3329","0.0018","18.309","0.003","105.25","0.002","93.841","0.002","95.042","0.002","2395.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H36 Co Mo4 N18 O18 -","- C38 H36 Co Mo4 N18 O18 -","- C76 H72 Co2 Mo8 N36 O36 -","2","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.071","0.0518","","","0.1003","0.1191","","","","","","1.082","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508152","30.2207","0.0017","18.7391","0.001","17.5365","0.001","90","","102.794","0.001","90","","9684.5","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Ag Mo12 N9 O42 P -","- C19 H19 Ag Mo12 N9 O42 P -","- C152 H152 Ag8 Mo96 N72 O336 P8 -","8","1","","Yang, Peng; Li, Ming-Xing; Shao, Min; Wang, Meng-Si; Cao, Shi-Xun; Zhang, Jin-Cang; Zhang, Heng-Hua","Porous and Nanorod-Like Coordination Polymers Assembled from a New V-Shaped Bis(1,2,4-triazolyl)tripyridine Ligand","Crystal Growth & Design","2013","13","10","4305","","10.1021/cg400644k","","","0.71073","MoKα","","0.0598","0.0466","","","0.0938","0.1048","","","","","","1.069","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508153","9.8937","0.0006","10.9771","0.0008","17.1409","0.0011","90","","90","","90","","1861.6","0.2","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C64 H96 N16 O24 -","8","1","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0635","0.0414","","","0.0734","0.0805","","","","","","1.008","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508154","5.088","0.0002","11.8516","0.0004","14.0429","0.0005","90","","95.921","0.002","90","","842.28","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0414","0.0346","","","0.068","0.0755","","","","","","1.045","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508155","12.2014","0.0002","14.0392","0.0003","11.8806","0.0002","90","","93.982","0.001","90","","2030.21","0.06","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C88 H80 N16 O24 -","8","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.0619","0.0389","","","0.0894","0.1014","","","","","","1.021","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508156","7.901","0.002","9.8","0.003","12.291","0.003","92.926","0.016","91.192","0.015","105.216","0.015","916.6","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(2Z)-3-(5-isopropyl-1,3,4-oxadiazol-2-yl)propenoic acid","","- C8 H10 N2 O3 -","- C8 H10 N2 O3 -","- C32 H40 N8 O12 -","4","2","","Gutov, Oleksii V.","1,3,4-Oxadiazoles for Crystal Engineering. Convenient Synthesis and Self-Assembly: Nonchiral Chains versus Chiral Helices","Crystal Growth & Design","2013","13","9","3953","","10.1021/cg400649h","","","0.71073","MoKα","","0.1462","0.1102","","","0.2918","0.3263","","","","","","1.072","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508157","11.0376","0.0003","20.3212","0.0004","11.8282","0.0003","90","","103.939","0.002","90","","2574.91","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 F2 N5 O3 -","- C31 H23 F2 N5 O3 -","- C124 H92 F8 N20 O12 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1288","0.0491","","","0.0968","0.1158","","","","","","0.829","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508158","8.9432","0.0003","12.1904","0.0004","18.6492","0.0007","104.625","0.002","100.492","0.005","93.696","0.004","1921.31","0.12","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 F2 N5 O6 S -","- C32 H26 F2 N5 O6 S -","- C64 H52 F4 N10 O12 S2 -","2","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1203","0.0712","","","0.1916","0.2118","","","","","","0.965","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508159","11.2365","0.0011","23.197","0.002","15.3502","0.0015","90","","92.604","0.002","90","","3996.9","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 F2 N6 O7 S -","- C43 H42 F2 N6 O7 S -","- C172 H168 F8 N24 O28 S4 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.1487","0.0563","","","0.12","0.1449","","","","","","0.825","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508160","11.9663","0.0007","9.3052","0.0006","26.9046","0.0016","90","","95.223","0.001","90","","2983.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 F2 N5 O6 S -","- C32 H27 F2 N5 O6 S -","- C128 H108 F8 N20 O24 S4 -","4","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.0897","0.0482","","","0.1119","0.1313","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508161","11.0899","0.0005","11.6508","0.0006","13.0881","0.0006","99.603","0.003","92.085","0.001","92.889","0.001","1663.52","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 F2 N5 O6 S -","- C38 H31 F2 N5 O6 S -","- C76 H62 F4 N10 O12 S2 -","2","1","","Lee, Jangmi; Park, Suzie; Yoon, Seon-Joo; Jung, Yong Woo; Byun, Youngjoo; Yuk, Soon Hong; Jeon, Min Keyong; Kang, Sung Kwon; Lee, Eun Hee","Multicomponent System of NPS-1034, an Orally Administered Lung Cancer Drug Candidate, with Sulfonic Acids and Solid State Characterization","Crystal Growth & Design","2013","13","9","3958","","10.1021/cg400651f","","","0.71073","MoKα","","0.062","0.0421","","","0.1012","0.1115","","","","","","1.033","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508162","3.55","0.005","9.093","0.005","24.527","0.005","90","0.005","91.737","0.005","90","0.005","791.4","1.2","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Fumarate monohydrate of 5-FC","","","- C6 H8 F N3 O4 -","- C6 H8 F N3 O4 -","- C24 H32 F4 N12 O16 -","4","1","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.0383","0.0348","","","","0.1004","","","","","","1.055","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508163","5.261","0.0002","15.197","0.0006","7.884","0.0003","90","","92.206","0.003","90","","629.87","0.04","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","oxalate of 5-FC","","","- C5 H5 F N3 O3 -","- C5 H5 F N3 O3 -","- C20 H20 F4 N12 O12 -","4","1","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.0648","0.0466","","","","0.136","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508164","9.345","0.0005","11.862","0.0006","18.954","0.0008","90","","113.573","0.003","90","","1925.73","0.17","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Maleate of 5-FC","","","- C8 H8 F N3 O5 -","- C8 H8 F N3 O5 -","- C64 H64 F8 N24 O40 -","8","2","","da Silva, Cecília C. P.; de Oliveira, Rebeka; Tenorio, Juan C.; Honorato, Sara B.; Ayala, Alejandro P.; Ellena, Javier","The Continuum in 5-Fluorocytosine. Toward Salt Formation","Crystal Growth & Design","2013","13","10","4315","","10.1021/cg400662n","","","0.71073","MoKα","","0.1258","0.0545","","","","0.1464","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508165","10.504","0.002","10.1838","0.0018","10.638","0.002","90","","95.408","0.018","90","","1132.9","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Cl N2 O2 S -","- C11 H9 Cl N2 O2 S -","- C44 H36 Cl4 N8 O8 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0466","0.0343","","","0.095","0.0982","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508166","8.0179","0.0016","8.569","0.003","9.992","0.003","86.046","0.018","67.054","0.012","77.792","0.015","617.8","0.3","293.1","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C24 H20 N4 O8 S2 -","2","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0478","","","","0.0593","","","","","","0.985","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508167","10.408","0.001","11.773","0.001","12.019","0.002","73.41","0.01","69.53","0.01","71.55","0.01","1283.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C48 H44 N12 O16 S4 -","4","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0512","0.0396","","","0.102","0.1103","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508168","10.912","0.001","9.586","0.003","24.842","0.003","90","","90","","90","","2598.5","0.9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N4 O3 S -","- C11 H12 N4 O3 S -","- C88 H96 N32 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0654","0.0378","","","0.092","0.1114","","","","","","1.027","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508169","14.455","0.003","11.514","0.002","14.857","0.003","90","","90","","90","","2472.7","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N3 O3 S -","- C11 H14 N3 O3 S -","- C88 H112 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0748","0.0442","","","0.1358","0.1439","","","","","","1.11","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508170","16.079","0.006","5.4807","0.0019","25.763","0.009","90","","96.116","0.006","90","","2257.4","1.4","293.1","","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H11 N3 O3 S -","- C10 H11 N3 O3 S -","- C80 H88 N24 O24 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0435","","","","0.0496","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508171","8.0686","0.0015","8.5141","0.0014","10.573","0.002","78.513","0.013","83.589","0.013","71.11","0.012","672.6","0.2","293.1","","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Br2 N O2 S -","- C12 H9 Br2 N O2 S -","- C24 H18 Br4 N2 O4 S2 -","2","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.036","","","","0.0464","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508172","15.387","0.003","6.2734","0.0013","27.363","0.006","90","","90","","90","","2641.3","0.9","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C104 H104 Cl8 N16 O16 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.0482","0.0386","","","0.0987","0.1022","","","","","","1.103","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508173","7.5991","0.0016","13.661","0.003","27.583","0.006","90","","90","","90","","2863.4","1.1","293.1","","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H13 Cl N2 O3 S -","- C13 H13 Cl N2 O3 S -","- C104 H104 Cl8 N16 O24 S8 -","8","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.7107","MoKα","","","0.0546","","","","0.0615","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508174","14.74","0.004","5.845","0.003","16.093","0.005","90","","92.37","0.02","90","","1385.3","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N3 O4 S -","- C12 H10 Br N3 O4 S -","- C48 H40 Br4 N12 O16 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.; Raevsky, Oleg A.","Sulfonamide Molecular Crystals: Structure, Sublimation Thermodynamic Characteristics, Molecular Packing, Hydrogen Bonds Networks","Crystal Growth & Design","2013","13","9","4002","","10.1021/cg400666v","","","0.71073","MoKα","","0.091","0.0356","","","0.0894","0.0983","","","","","","0.962","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508175","6.3202","0.0012","9.9001","0.0018","35.109","0.007","90","","90","","90","","2196.8","0.7","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0813","","","","0.2538","","","","","","1.019","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508176","9.9176","0.0012","6.3244","0.0008","34.355","0.004","90","","94.775","0.008","90","","2147.4","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Koshima, Hideko; Matsuo, Risa; Matsudomi, Masafumi; Uemura, Yutaro; Shiro, Motoo","Light-Driven Bending Crystals of Salicylidenephenylethylamines in Enantiomeric and Racemate Forms","Crystal Growth & Design","2013","13","10","4330","","10.1021/cg400675r","","","1.54187","CuKα","","","0.0787","","","","0.2711","","","","","","1.062","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508177","10.033","0.0006","10.954","0.0006","12.825","0.0008","68.518","0.006","80.503","0.005","84.62","0.005","1292.74","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 N18 O18 Zn2 -","- C40 H34 N18 O18 Zn2 -","- C40 H34 N18 O18 Zn2 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0624","0.0525","","","0.1417","0.152","","","","","","1.069","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508178","13.286","0.0009","10.024","0.0005","17.437","0.001","90","","98.758","0.005","90","","2295.2","0.2","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 N18 O18 Zn2 -","- C42 H40 N18 O18 Zn2 -","- C84 H80 N36 O36 Zn4 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.1235","0.0647","","","0.1071","0.1274","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508179","13.302","0.0004","10.026","0.0003","17.45","0.0005","90","","98.713","0.003","90","","2300.38","0.12","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 Co2 N18 O18 -","- C42 H44 Co2 N18 O18 -","- C84 H88 Co4 N36 O36 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0567","0.0415","","","0.0869","0.094","","","","","","1.035","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508180","13.395","0.0005","10.177","0.0003","17.662","0.0009","90","","96.925","0.003","90","","2390.14","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H44 Cd2 N18 O18 -","- C42 H44 Cd2 N18 O18 -","- C84 H88 Cd4 N36 O36 -","2","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0433","0.0345","","","0.0821","0.0893","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508181","11.192","0.0006","12.401","0.0008","12.566","0.0007","64.424","0.006","75.586","0.005","80.446","0.005","1520.22","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N18 O22 -","- C42 H30 Cu3 N18 O22 -","- C42 H30 Cu3 N18 O22 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0753","0.0565","","","0.1603","0.1754","","","","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508182","9.348","0.0005","12.351","0.0007","12.457","0.0006","100.015","0.005","107.88","0.005","111.846","0.005","1200.99","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 Ag5 N18 O16 -","- C42 H38 Ag5 N18 O16 -","- C42 H38 Ag5 N18 O16 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0341","0.031","","","0.0787","0.0813","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508183","9.746","0.0005","15.285","0.0007","18.656","0.0009","107.339","0.004","99.509","0.004","92.536","0.004","2603.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H83 Ag6 N36 O35 -","- C93 H70 Ag6 N36 O35 -","- C93 H70 Ag6 N36 O35 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.1011","0.059","","","0.1262","0.1493","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508184","10.986","0.0007","12.711","0.0007","15.997","0.0009","94.244","0.005","109.288","0.005","103.527","0.005","2022","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 Ag4 N36 O18 -","- C82 H64 Ag4 N36 O18 -","- C82 H64 Ag4 N36 O18 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.0919","0.0531","","","0.1064","0.1276","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508185","12.938","0.0008","14.041","0.001","15.342","0.001","106.161","0.006","114.154","0.006","99.768","0.006","2311.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H72 Ag6 N36 O23 -","- C80 H62 Ag6 N36 O23 -","- C80 H62 Ag6 N36 O23 -","1","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71069","MoKα","","0.116","0.0646","","","0.1377","0.163","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508186","24.969","0.0012","8.36","0.0003","17.306","0.0009","90","","120.024","0.007","90","","3127.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Ag2 N20 O6 -","- C24 H24 Ag2 N20 O6 -","- C96 H96 Ag8 N80 O24 -","4","0.5","","Zhang, Zhe; Ma, Jian-Fang; Liu, Ying-Ying; Kan, Wei-Qiu; Yang, Jin","A Series of Coordination Polymers Constructed from a Multidentate N-Donor Ligand and Varied Carboxylate Anions: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2013","13","10","4338","","10.1021/cg400680r","","","0.71073","MoKα","","0.0471","0.0373","","","0.0939","0.1019","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508187","18.5784","0.0005","11.3468","0.0003","12.367","0.0003","90","","96.731","0.001","90","","2589.06","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 O2 -","- C38 H26 O2 -","- C152 H104 O8 -","4","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0723","0.0467","","","0.1097","0.1238","","","","","","1.013","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508188","8.3229","0.0002","8.457","0.0002","15.3718","0.0003","95.525","0.001","91.841","0.001","111.525","0.001","999.17","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H50 O8 -","- C50 H50 O8 -","- C50 H50 O8 -","1","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0497","0.0397","","","0.1036","0.1133","","","","","","1.046","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508189","8.2821","0.0002","8.3786","0.0002","13.545","0.0004","86.412","0.001","72.722","0.001","73.155","0.001","858.71","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H38 O4 S2 -","- C42 H38 O4 S2 -","- C42 H38 O4 S2 -","1","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0432","0.0358","","","0.1004","0.1127","","","","","","1.075","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508190","11.8726","0.0009","13.1383","0.0011","12.2294","0.001","90","","90.072","0.004","90","","1907.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N2 O2 -","- C46 H48 N2 O2 -","- C92 H96 N4 O4 -","2","0.5","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0449","0.0369","","","0.092","0.0982","","","","","","1.021","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508191","40.6532","0.0009","12.2045","0.0003","22.8237","0.0005","90","","94.682","0.001","90","","11286.2","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C78 H56 O6 -","- C78 H56 O6 -","- C624 H448 O48 -","8","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.1126","0.0549","","","0.126","0.1591","","","","","","1.023","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508192","47.2311","0.0013","9.0398","0.0002","14.5545","0.0004","90","","93.418","0.001","90","","6203.1","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H34 O4 -","- C42 H34 O4 -","- C336 H272 O32 -","8","1","","Skobridis, Konstantinos; Theodorou, Vassiliki; Seichter, Wilhelm; Weber, Edwin","Host Polymorphs and Crystalline Host‒Guest Complexes of 3,3′-Bis(9-hydroxy-9-fluorenyl)biphenyl","Crystal Growth & Design","2013","13","9","3985","","10.1021/cg400707s","","","0.71073","MoKα","","0.0594","0.0437","","","0.1151","0.1267","","","","","","1.023","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508193","11.602","0.003","34.227","0.008","11.908","0.003","90","","106.473","0.002","90","","4535","2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","JMO-02","","","- C79 H129 F6 N13 O23 -","- C79 H129 F6 N13 O23 -","- C158 H258 F12 N26 O46 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0557","0.0496","","","0.1345","0.1401","","","","","","1.039","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508194","27.931","0.001","27.931","0.001","22.523","0.002","90","","90","","120","","15217","1.6","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-04","","","- C74 H106 F3 N12 O32 -","- C74 H106 F3 N12 O32 -","- C444 H636 F18 N72 O192 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1351","0.1302","","","0.3355","0.3451","","","","","","1.822","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508195","48.713","0.002","48.713","0.002","10.522","0.001","90","","90","","120","","21623","2","100","2","100","2","","","","","","","synthesis as described","5","P 6","P 6","168","JMO-11","","","- C68 H99 F5 N12 O26.833 -","- C68 H99 F5 N12 O26.8333 -","- C408 H594 F30 N72 O161 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.1842","0.1771","","","0.4352","0.4479","","","","","","3.543","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508196","48.481","0.015","48.481","0.015","10.298","0.002","90","","90","","120","","20962","10","100","2","100","2","","","","","","","synthesis as described","5","P 61","P 61","169","JMO-17","","","- C72 H101 F5 N12 O17 -","- C72 H101 F5 N12 O17 -","- C432 H606 F30 N72 O102 -","6","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.00614","synchrotron","","0.1417","0.1357","","","0.31","0.3179","","","","","","1.606","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508197","13.472","0.001","17.38","0.005","35.196","0.003","90","","91.631","0.005","90","","8238","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","JMO-09","","","- C132 H244 Cl5 N24 O33 -","- C132 H244 Cl5 N24 O33 -","- C264 H488 Cl10 N48 O66 -","2","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","1.54178","CuKα","","0.0742","0.0698","","","0.1998","0.2059","","","","","","1.015","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508198","22.635","0.005","38.582","0.01","28.317","0.003","90","","90","","90","","24729","9","100","2","100","2","","","","","","","synthesis as described","5","C 2 2 21","C 2c 2","20","DM74","","","- C92 H141 F3 N18 O31 -","- C92 H141 F3 N18 O31 -","- C736 H1128 F24 N144 O248 -","8","1","","Otero, José M.; van der Knaap, Matthijs; Llamas-Saiz, Antonio L.; van Raaij, Mark J.; Amorín, Manuel; Granja, Juan R.; Filippov, Dmitri V.; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark","Design, Synthesis, and Structural Analysis of Turn Modifiedcyclo-(αβ3αβ2α)2Peptide Derivatives toward Crystalline Hexagon-Shaped Cationic Nanochannel Assemblies","Crystal Growth & Design","2013","13","10","4355","","10.1021/cg4007108","","x-ray","0.9537","synchrotron","","0.1583","0.1498","","","0.3933","0.4063","","","","","","2.187","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508199","21.635","0.002","23.415","0.003","24.754","0.003","93.327","0.002","100.308","0.002","97.322","0.002","12195","2","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H179 Cu7 Gd4 Ge4 N28 Na3 O194 W46 -","- C28 H112 Cu7 Gd4 Ge4 N28 Na3 O182 W46 -","- C56 H224 Cu14 Gd8 Ge8 N56 Na6 O364 W92 -","2","1","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang","Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes","Crystal Growth & Design","2013","13","10","4368","","10.1021/cg400746n","","","0.71073","MoKα","","0.1558","0.0792","","","0.1368","0.1493","","","","","","1.008","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508200","21.675","0.002","23.348","0.002","24.687","0.002","93.355","0.002","100.387","0.002","97.351","0.002","12144.9","1.8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C28 H175 Cu7 Ge4 N28 Na3 O192 W46 Y4 -","- C28 H112 Cu7 Ge4 N28 Na3 O180 W46 Y4 -","- C56 H224 Cu14 Ge8 N56 Na6 O360 W92 Y8 -","2","1","","Zhao, Junwei; Shi, Dongying; Chen, Lijuan; Ma, Pengtao; Wang, Jingping; Zhang, Jian; Niu, Jingyang","Tetrahedral Polyoxometalate Nanoclusters with Tetrameric Rare-Earth Cores and Germanotungstate Vertexes","Crystal Growth & Design","2013","13","10","4368","","10.1021/cg400746n","","","0.71073","MoKα","","0.1602","0.0788","","","0.1306","0.1397","","","","","","1.006","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508201","11.9482","0.0003","11.9482","0.0003","30.657","0.002","90","","90","","90","","4376.6","0.3","293","2","293","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C40 H38 In N2 O12 P -","- C36 In N2 O12 P -","- C144 In4 N8 O48 P4 -","4","0.25","","Chen, Yan-Fei; Ma, Yun-Cui; Chen, Shu-Mei","A Chiral Tetrahedral Framework with Tetrahedral Guests for Catalysis and Photoluminescence","Crystal Growth & Design","2013","13","10","4154","","10.1021/cg400769p","","","0.71073","MoKα","","0.1348","0.1162","","","0.3521","0.3742","","","","","","1.148","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508202","6.992","0.004","11.726","0.006","17.764","0.009","90","","98.537","0.01","90","","1440.3","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl N2 O7 -","- C10 H23 Cl N2 O7 -","- C40 H92 Cl4 N8 O28 -","4","1","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0703","0.061","","","0.1863","0.1939","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508203","13.9","0.007","11.729","0.006","17.806","0.009","90","","103.85","0.01","90","","2819","2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H23 Cl N2 O7 -","- C10 H23 Cl N2 O7 -","- C80 H184 Cl8 N16 O56 -","8","2","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0877","0.0806","","","0.238","0.2442","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508204","6.992","0.002","11.728","0.004","17.769","0.006","90","","98.469","0.005","90","","1441.2","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl D7 N2 O7 -","- C10 H16 Cl D7 N2 O7 -","- C40 H64 Cl4 D28 N8 O28 -","4","1","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0879","0.0752","","","0.2353","0.2559","","","","","","0.958","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508205","13.907","0.007","11.735","0.006","17.847","0.009","90","","103.967","0.008","90","","2826","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Cl D7 N2 O7 -","- C10 H16 Cl D7 N2 O7 -","- C80 H128 Cl8 D56 N16 O56 -","8","2","","Zhang, Yi; Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Xiong, Ren-Gen","Reversible Phase Transition of 1,4-Diazoniabicyclo[2.2.2]octane-1-acetate-4-acetic Acid Chloride Trihydrate","Crystal Growth & Design","2013","13","9","4025","","10.1021/cg400829d","","","0.71073","MoKα","","0.0999","0.0893","","","0.3276","0.3399","","","","","","1.379","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508206","30.305","0.006","8.042","0.0016","21.397","0.004","90","","129.08","0.03","90","","4048","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N2 O -","- C27 H20 N2 O -","- C216 H160 N16 O8 -","8","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1367","0.0642","","","0.1317","0.1572","","","","","","1.001","","","","has coordinates","288253","2023-12-12","14:36:19",""
"4508207","9.358","0.0019","13.305","0.003","20.465","0.004","95.37","0.03","95.93","0.03","100.08","0.03","2479","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1-(5-(pyren-1-yl)-3-phenyl-4,5-dihydropyrazol-1-yl)ethanone chloroform solvate","","- C28 H21 Cl3 N2 O -","- C28 H21 Cl3 N2 O -","- C112 H84 Cl12 N8 O4 -","4","2","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.2022","0.079","","","0.128","0.1595","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508208","28.067","0.006","9.837","0.002","9.145","0.0018","90","","90","","90","","2524.9","0.9","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C132 H104 N8 O8 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1447","0.0563","","","0.0864","0.1102","","","","","","1.01","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508209","18.567","0.004","21.868","0.004","5.642","0.0011","90","","90","","90","","2290.8","0.8","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C29 H24 N2 O3 -","- C29 H24 N2 O3 -","- C116 H96 N8 O12 -","4","1","","Feng, Qi; Wang, Mingliang; Dong, Baoli; He, Jing; Xu, Chunxiang","Regulation of Arrangements of Pyrene Fluorophores via Solvates and Cocrystals for Fluorescence Modulation","Crystal Growth & Design","2013","13","10","4418","","10.1021/cg400853r","","","0.71073","MoKα","","0.1835","0.053","","","0.0562","0.0885","","","","","","0.831","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508210","7.843","0.002","7.484","0.002","19.078","0.003","90","","90","","90","","1119.8","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O6 P2 -","- C10 H10 O6 P2 -","- C40 H40 O24 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0933","0.0326","","","0.0468","0.0553","","","","","","1.008","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508211","6.9607","0.0006","8.5205","0.0008","9.134","0.001","75.578","0.007","71.587","0.008","74.493","0.008","487.19","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 O8 P2 S2 -","- C14 H22 O8 P2 S2 -","- C14 H22 O8 P2 S2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0956","0.052","","","0.1238","0.1468","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508212","9.613","0.002","8.24","0.002","9.227","0.003","90","","111.83","0.01","90","","678.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 O6 P2 -","- C12 H14 O6 P2 -","- C24 H28 O12 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.1491","0.0773","","","0.1338","0.1746","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508213","13.345","0.003","8.698","0.002","9.256","0.002","90","","94.73","0.01","90","","1070.7","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 O8 P2 S2 -","- C16 H26 O8 P2 S2 -","- C32 H52 O16 P4 S4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0675","0.0359","","","0.0827","0.0992","","","","","","1.01","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508214","7.7904","0.0005","9.7947","0.0006","9.9097","0.0006","119.461","0.006","99.979","0.005","101.479","0.005","611.76","0.09","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0702","0.0362","","","0.0761","0.0954","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508215","7.6792","0.0005","9.3143","0.0006","9.942","0.0005","105.206","0.005","110.74","0.006","102.028","0.005","604.93","0.08","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","- C24 H30 N4 O6 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0462","0.0316","","","0.0727","0.0824","","","","","","1.019","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508216","7.1963","0.0005","10.016","0.001","10.432","0.001","99.98","0.01","93.83","0.01","109.51","0.02","691.7","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 N4 O8 P2 -","- C26 H38 N4 O8 P2 -","- C26 H38 N4 O8 P2 -","1","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.144","0.0751","","","0.1114","0.1453","","","","","","1.053","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508217","15.778","0.002","17.252","0.002","8.2767","0.0009","90","","113.81","0.01","90","","2061.2","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 N2 O7 P2 -","- C19 H26 N2 O7 P2 -","- C76 H104 N8 O28 P8 -","4","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.1557","0.0478","","","0.0661","0.0827","","","","","","1.001","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508218","14.3936","0.0006","9.4916","0.0004","8.2341","0.0003","90","","105.454","0.004","90","","1084.26","0.08","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 N2 O8 P2 -","- C18 H28 N2 O8 P2 -","- C36 H56 N4 O16 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0833","0.0382","","","0.0697","0.0887","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508219","10.266","0.002","6.04","0.001","18.192","0.003","90","","103.62","0.01","90","","1096.3","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 N2 O8 P2 -","- C20 H32 N2 O8 P2 -","- C40 H64 N4 O16 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.0548","0.0319","","","0.0736","0.0859","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508220","8.652","0.0017","9.225","0.0018","13.594","0.003","72.98","0.01","88.18","0.01","86.98","0.01","1035.9","0.4","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O6 P2 -","- C18 H26 O6 P2 -","- C36 H52 O12 P4 -","2","1","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.187","0.0461","","","0.0757","0.0938","","","","","","1.002","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508221","9.273","0.002","14.141","0.003","8.801","0.002","90","","102.68","0.01","90","","1125.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 O6 P2 -","- C20 H30 O6 P2 -","- C40 H60 O12 P4 -","2","0.5","","Białek, Michał J.; Zaręba, Jan K.; Janczak, Jan; Zoń, Jerzy","Chains, Layers, Channels, and More: Supramolecular Chemistry of Potent Diphosphonic Tectons with Tuned Flexibility. The Generation of Pseudopolymorphs, Polymorphs, and Adducts","Crystal Growth & Design","2013","13","9","4039","","10.1021/cg400859e","","","0.71073","MoKα","","0.3023","0.0755","","","0.1116","0.1681","","","","","","1.016","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508222","19.3095","0.0004","19.3095","0.0004","11.513","0.0004","90","","90","","120","","3717.59","0.17","100","","100","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ge0.2172 O Si0.2827 -","- Ge0.21723 O Si0.28283 -","- Ge19.9852 O92 Si26.0204 -","92","3.83333","","Liu, Leifeng; Yu, Zheng-Bao; Chen, Hong; Deng, Youqian; Lee, Bao-Lin; Sun, Junliang","Disorder in Extra-Large Pore Zeolite ITQ-33 Revealed by Single Crystal XRD","Crystal Growth & Design","2013","13","10","4168","","10.1021/cg400880a","","","0.6889","synchrotron","","0.0729","0.0705","","","0.2219","0.2252","","","","","","1.233","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508223","14.164","0.005","14.164","0.005","34.886","0.013","90","","90","","90","","6999","4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C60 H68 Cl4 N24 Ni4 O8 -","- C60 H60 Cl4 N24 Ni4 O8 -","- C240 H240 Cl16 N96 Ni16 O32 -","4","0.25","","Moustapha-Sow, Mouhamadou; Diouf, Ousmane; Gaye, Mohamed; Salam-Sall, Abdou; Castro, Goretti; Pérez-Lourido, Paulo; Valencia, Laura; Caneschi, Andrea; Sorace, Lorenzo","Sheets of Tetranuclear Ni(II) [2 ×2] Square Grids Structure with Infinite Orthogonal Two-Dimensional Water‒Chlorine Chains","Crystal Growth & Design","2013","13","10","4172","","10.1021/cg400885f","","","0.71073","MoKα","","0.2216","0.089","","","0.2379","0.338","","","","","","1.03","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508224","15.772","0.002","15.772","0.002","16.2","0.003","90","","90","","120","","3489.9","0.9","100","2","100","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C33 H33 Co2 N3 O19 Ti -","- C33 H24 Co2.01 N3 O19 Ti0.99 -","- C66 H48 Co4.02 N6 O38 Ti1.98 -","2","0.166667","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.62001","Synchrotron","","0.098","0.097","","","0.2896","0.2901","","","","","","1.129","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508225","12.753","0.0018","12.753","0.0018","18.546","0.004","90","","90","","120","","2612.2","0.8","100","2","100","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C24 H18 Co2 O19 Ti -","- C24 H6 Co2.01 O19 Ti0.99 -","- C48 H12 Co4.02 O38 Ti1.98 -","2","0.333333","","Hong, Keunil; Bak, Woojeong; Moon, Dohyun; Chun, Hyungphil","Bistable and Porous Metal‒Organic Frameworks with Charge-NeutralacsNet Based on Heterometallic M3O(CO2)6Building Blocks","Crystal Growth & Design","2013","13","9","4066","","10.1021/cg4009009","","","0.70001","Synchrotron","","0.0735","0.0646","","","0.173","0.1814","","","","","","0.993","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508226","12.1207","0.0006","3.80651","0.00013","13.1647","0.0006","90","","115.478","0.006","90","","548.32","0.05","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,3,5-trihydroxybenzene","","- C6 H6 O3 -","- C6 H6 O3 -","- C24 H24 O12 -","4","1","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","","","0.71073","MoKα","","0.0445","0.0334","","","0.08","0.0845","","","","","","1.029","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508227","24.6058","0.0006","24.6058","0.0006","3.8524","0.0003","90","","90","","90","","2332.4","0.2","298","2","298","2","","","","","","","","3","P 42/n :2","-P 4bc","86","pyrogallol_tetartohydrate","1,2,3-trihydroxybenzene","","- C24 H26 O13 -","- C24 H24 O13 -","- C96 H96 O52 -","4","0.5","","Braun, Doris E.; Bhardwaj, Rajni M.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Griesser, Ulrich J.; Tocher, Derek A.; Price, Sarah L.","Absorbing a Little Water: The Structural, Thermodynamic, and Kinetic Relationship between Pyrogallol and Its Tetarto-Hydrate.","Crystal growth & design","2013","13","9","4071","4083","10.1021/cg4009015","powder diffraction","","1.54056","","","","","","","","","","","3.05","","","","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508228","7.7147","0.0007","14.2718","0.0014","12.3156","0.0011","90","","90","","90","","1356","0.2","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F6 N2 O2 Ti -","- C10 H12 Cu F6 N2 O2 Ti -","- C40 H48 Cu4 F24 N8 O8 Ti4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0299","0.0275","","","0.0751","0.0768","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508229","7.702","0.0003","14.275","0.0006","12.2064","0.0005","90","","90","","90","","1342.05","0.09","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 O3 V -","- C10 H12 Cu F5 N2 O3 V -","- C40 H48 Cu4 F20 N8 O12 V4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0192","0.0178","","","0.0523","0.0532","","","","","","1.111","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508230","7.8427","0.0003","14.319","0.0005","12.3773","0.0004","90","","90","","90","","1389.97","0.08","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F5 N2 Nb O3 -","- C10 H12 Cu F5.01 N2 Nb O2.99 -","- C40 H48 Cu4 F20.04 N8 Nb4 O11.96 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0237","0.0214","","","0.0571","0.0583","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508231","7.8477","0.0001","14.2825","0.0003","12.2493","0.0002","90","","90","","90","","1372.96","0.04","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 Cu F4 Mo N2 O4 -","- C10 H12 Cu F4 Mo N2 O4 -","- C40 H48 Cu4 F16 Mo4 N8 O16 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0182","0.0179","","","0.0507","0.0513","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508232","7.6419","0.0003","14.4551","0.0006","12.5756","0.0005","90","","90","","90","","1389.16","0.1","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 Mo N2 O4 Zn -","- C10 H12 F3.99 Mo N2 O4.01 Zn -","- C40 H48 F15.96 Mo4 N8 O16.04 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0236","0.0209","","","0.0537","0.0558","","","","","","1.106","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508233","7.623","0.0004","14.4632","0.0007","12.6904","0.0006","90","","90","","90","","1399.15","0.12","100","2","100","2","","","","","","","synthesis as described","7","P n m a","-P 2ac 2n","62","","","","- C10 H12 F4 N2 O4 W Zn -","- C10 H12 F3.99 N2 O4.01 W Zn -","- C40 H48 F15.96 N8 O16.04 W4 Zn4 -","4","0.5","","Gautier, Romain; Poeppelmeier, Kenneth R.","Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model","Crystal Growth & Design","2013","13","9","4084","","10.1021/cg400908f","","x-ray","0.71069","MoKα","","0.0346","0.0293","","","0.0747","0.0774","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508234","9.8392","0.0012","21.748","0.003","15.1973","0.0016","90","","111.277","0.006","90","","3030.3","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 In N3 O9 -","- C29 H30 In N3 O9 -","- C116 H120 In4 N12 O36 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.1098","0.0482","","","0.0899","0.1095","","","","","","0.949","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508235","9.9183","0.0016","22.93","0.004","15.082","0.003","90","","103.957","0.003","90","","3328.8","1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C61 H71 In2 N7 O21 -","- C61 H67 In2 N7 O21 -","- C122 H134 In4 N14 O42 -","2","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.136","0.0722","","","0.1734","0.2104","","","","","","1.009","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508236","15.972","0.002","21.984","0.003","20.09","0.003","90","","113.194","0.002","90","","6484","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H76 Cd2 N8 O18 -","- C62 H76 Cd2 N8 O18 -","- C248 H304 Cd8 N32 O72 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.173","0.0643","","","0.1419","0.1891","","","","","","0.994","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508237","10.0732","0.0006","26.6408","0.0015","14.5918","0.0007","90","","110.73","0.003","90","","3662.3","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 Cd N3 O9 -","- C32 H39 Cd N3 O9 -","- C128 H156 Cd4 N12 O36 -","4","1","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.0692","0.0466","","","0.1234","0.1347","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508238","15.392","0.003","10.296","0.002","25.544","0.004","90","","114.597","0.01","90","","3680.8","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 Cd2 N7 O22 -","- C70 H76 Cd2 N7 O22 -","- C140 H152 Cd4 N14 O44 -","2","0.5","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.1305","0.0605","","","0.1286","0.1569","","","","","","0.983","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508239","10.2101","0.0011","21.649","0.002","15.8443","0.0014","90","","110.692","0.006","90","","3276.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H84 Cd2 N7 O18 -","- C63 H30 Cd2 N7 O18 -","- C126 H60 Cd4 N14 O36 -","2","0.5","","Chen, Da-Shu; Sun, Li-Bo; Liang, Zhi-Qiang; Shao, Kui-Zhan; Wang, Chun-Gang; Su, Zhong-Min; Xing, Hong-Zhu","Conformational Supramolecular Isomerism in Two-Dimensional Fluorescent Coordination Polymers Based on Flexible Tetracarboxylate Ligand","Crystal Growth & Design","2013","13","9","4092","","10.1021/cg400913f","","","0.71073","MoKα","","0.146","0.0792","","","0.2273","0.288","","","","","","1.034","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508240","43.0209","0.0002","43.0209","0.0002","43.0209","0.0002","90","","90","","90","","79623","0.6","173","2","173","2","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C426 H710 Cu24 N110 Na12 O266 S24 -","- C200 H96 Cu24 N24 O192 S24 -","- C800 H384 Cu96 N96 O768 S96 -","4","0.0208333","","Wei, Wei; Li, Wanlong; Wang, Xingzhu; He, Jieya","A Designed Three-Dimensional Porous Hydrogen-Bonding Network Based on a Metal‒Organic Polyhedron","Crystal Growth & Design","2013","13","9","3843","","10.1021/cg4009152","","","1.54178","CuKα","","0.087","0.08","","","0.2518","0.2644","","","","","","1.119","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508241","18.609","0.004","28.378","0.008","14.152","0.003","90","","90","","90","","7473","3","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C30 H32 Cu2 I2 N8 O4 -","- C30 H32 Cu2 I2 N8 O4 -","- C240 H256 Cu16 I16 N64 O32 -","8","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1023","0.0608","","","0.1703","0.1871","","","","","","1.178","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508242","26.158","0.004","10.0274","0.0014","15.632","0.002","90","","100.489","0.004","90","","4031.7","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu4 I4 N8 O4 -","- C30 H32 Cu4 I4 N8 O4 -","- C120 H128 Cu16 I16 N32 O16 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0822","0.0732","","","0.2062","0.2102","","","","","","1.593","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508243","29.52","0.003","10.9641","0.0009","29.373","0.003","90","","118.061","0.004","90","","8389.3","1.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H82 Cu2 F24 N16 O17 P4 -","- C60 H64 Cu2 F24 N16 O17 P4 -","- C240 H256 Cu8 F96 N64 O68 P16 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1509","0.1111","","","0.2897","0.303","","","","","","1.98","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508244","10.6903","0.0019","15.235","0.003","25.04","0.004","90","","90","","90","","4078.2","1.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Cl2 Cu N8 O16 -","- C30 H32 Cl Cu N8 O12 -","- C120 H128 Cl4 Cu4 N32 O48 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.105","0.0802","","","0.2165","0.2259","","","","","","1.438","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508245","12.3335","0.0009","12.3335","0.0009","18.836","0.003","90","","90","","90","","2865.2","0.5","293","2","293","2","","","","","","","","6","P -4","P -4","81","","","","- C38 H64 Cl2 Cu N8 O20 -","- C34 H40 Cu N8 O6 -","- C68 H80 Cu2 N16 O12 -","2","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0623","0.0423","","","0.1121","0.1208","","","","","","0.776","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508246","28.15","0.003","7.2986","0.0007","19.3436","0.0019","90","","120.267","0.002","90","","3432.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cl2 Co N8 O14 -","- C30 H32 Cl2 Co N8 O14 -","- C120 H128 Cl8 Co4 N32 O56 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0529","0.0393","","","0.1239","0.1335","","","","","","0.987","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508247","28.692","0.0014","7.2297","0.0004","19.8774","0.001","90","","120.72","0.001","90","","3544.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H36 Cd Cl2 N8 O14 -","- C30 H32 Cd Cl2 N8 O14 -","- C120 H128 Cd4 Cl8 N32 O56 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.0343","0.0309","","","0.104","0.1082","","","","","","0.934","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508248","20.788","0.004","9.4376","0.0016","24.302","0.006","90","","114.416","0.005","90","","4341.4","1.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H48 Cu F12 N8 O8 P2 -","- C34 H40 Cu N8 O8 -","- C136 H160 Cu4 N32 O32 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1171","0.0619","","","0.1502","0.1736","","","","","","0.864","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508249","21.256","0.003","12.0891","0.0017","17.086","0.002","90","","90","","90","","4390.5","1","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C37 H45 Cl2 Cu N9 O16 -","- C37 H37 Cl2 Cu N9 O16 -","- C148 H148 Cl8 Cu4 N36 O64 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1079","0.073","","","0.1764","0.1925","","","","","","1.184","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508250","23.545","0.003","11.866","0.0015","16.909","0.002","90","","110.064","0.004","90","","4437.4","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H45 Cl2 Cu N9 O18 -","- C36 H37 Cl2 Cu N9 O18 -","- C144 H148 Cl8 Cu4 N36 O72 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Coordination Polymers Containing M2L2and M4L4Metallacylces of Bis(pyridylcarboxamido)alkanes with an Odd Number of −(CH2)‒ Groups as Spacers: Guest Inclusion and Networks Recognition via α Sheet","Crystal Growth & Design","2013","13","9","4100","","10.1021/cg400918d","","","0.71073","MoKα","","0.1303","0.0793","","","0.1879","0.2095","","","","","","1.158","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508251","3.843","0.0003","6.2681","0.0004","15.9607","0.0012","93.547","0.005","96.858","0.006","94.011","0.005","379.82","0.05","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C18 H14 F2 O4 -","2","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.54178","CuKα","","0.0645","0.0556","","","0.1549","0.1646","","","","","","1.058","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508252","6.529","0.0004","3.775","0.0002","31.1015","0.0018","90","","91.25","0.004","90","","766.38","0.08","150","2","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 F O2 -","- C9 H7 F O2 -","- C36 H28 F4 O8 -","4","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.5418","CuKα","","0.0597","0.0513","","","0.1442","0.1518","","","","","","1.096","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508253","7.6159","0.0005","8.6685","0.0004","15.1547","0.0009","77.057","0.005","77.346","0.005","74.73","0.005","926.91","0.1","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 F2 O6 -","- C20 H18 F2 O6 -","- C40 H36 F4 O12 -","2","1","","Khoj, Manal A.; Hughes, Colan E.; Harris, Kenneth D. M.; Kariuki, Benson M.","Polymorphism in atrans-Cinnamic Acid Derivative Exhibiting Two Distinct β-type Phases: Structural Properties, [2 + 2] Photodimerization Reactions, and Polymorphic Phase Transition Behavior","Crystal Growth & Design","2013","13","9","4110","","10.1021/cg4009202","","","1.5418","CuKα","","0.0859","0.052","","","0.1244","0.1474","","","","","","1.019","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508254","8.948","0.004","10.202","0.004","18.399","0.008","92.234","0.005","99.486","0.005","105.651","0.005","1589","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag N3 O13 S2 Sm -","- C29 H23 Ag N3 O13 S2 Sm -","- C58 H46 Ag2 N6 O26 S4 Sm2 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0852","0.0634","","","0.1545","0.1736","","","","","","1.014","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508255","8.819","0.0009","10.1316","0.001","18.4266","0.0018","92.395","0.001","99.615","0.001","105.244","0.001","1559.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag Er N3 O13 S2 -","- C29 H23 Ag Er N3 O13 S2 -","- C58 H46 Ag2 Er2 N6 O26 S4 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0618","0.0576","","","0.146","0.1498","","","","","","0.997","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508256","9.1855","0.0013","9.8587","0.0014","18.413","0.003","96.172","0.002","99.566","0.002","108.848","0.002","1532.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Ag Ce N3 O13 S2 -","- C29 H23 Ag Ce N3 O13 S2 -","- C58 H46 Ag2 Ce2 N6 O26 S4 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.0492","0.0435","","","0.1131","0.1185","","","","","","1.018","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508257","11.1247","0.0018","14.592","0.002","16.648","0.003","97.718","0.002","92.917","0.002","91.768","0.002","2672.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H36 Ag3 N8 O17 S4 Tb -","- C54 H36 Ag3 N8 O17 S4 Tb -","- C108 H72 Ag6 N16 O34 S8 Tb2 -","2","1","","Chen, Rui-Ling; Chen, Xue-Yun; Zheng, Sheng-Run; Fan, Jun; Zhang, Wei-Guang","Construction of Ag(I)‒Ln(III) Heterometallic Coordination Polymers Based on Binuclear Ag2(DSPT)2(H2DSPT = 4′-(2,4-Disulfophenyl)-2,2′:6′2″-terpyridine) Rings and Ln(III) Dimeric Molecular Building Blocks","Crystal Growth & Design","2013","13","10","4428","","10.1021/cg400926q","","","0.71073","MoKα","","0.1215","0.0659","","","0.1593","0.2484","","","","","","1.047","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508258","8.054","0.0005","8.1481","0.0005","15.0119","0.0009","77.109","0.002","83.559","0.001","64.061","0.001","863.46","0.09","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Caffeine:4-chloro-3nitrobenzoic acid","","","- C15 H14 Cl N5 O6 -","- C15 H14 Cl N5 O6 -","- C30 H28 Cl2 N10 O12 -","2","1","","Ghosh, Soumyajit; Mondal, Arobendo; Kiran, M. S. R. N.; Ramamurty, U.; Reddy, C. Malla","The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation","Crystal Growth & Design","2013","13","10","4435","","10.1021/cg400928v","","","0.71073","MoKα","","0.0517","0.0465","","","0.1233","0.1312","","","","","","1.049","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508259","9.8561","0.0005","9.9591","0.0005","10.7056","0.0005","68.377","0.001","86.897","0.001","62.73","0.001","859.91","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Caffeine:4-chloro-3nitrobenzoic acid","","","- C15 H14 Cl N5 O6 -","- C15 H14 Cl N5 O6 -","- C30 H28 Cl2 N10 O12 -","2","1","","Ghosh, Soumyajit; Mondal, Arobendo; Kiran, M. S. R. N.; Ramamurty, U.; Reddy, C. Malla","The Role of Weak Interactions in the Phase Transition and Distinct Mechanical Behavior of Two Structurally Similar Caffeine Co-crystal Polymorphs Studied by Nanoindentation","Crystal Growth & Design","2013","13","10","4435","","10.1021/cg400928v","","","0.71073","MoKα","","0.0604","0.0561","","","0.1518","0.1575","","","","","","1.047","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508260","12.916","0.012","3.97","0.003","11.831","0.01","90","","104.755","0.014","90","","586.6","0.9","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Mn S7 -","- Bi4 Mn S7 -","- Bi8 Mn2 S14 -","2","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen","From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties","Crystal Growth & Design","2013","13","9","4118","","10.1021/cg4009398","","","0.71073","MoKα","","0.0686","0.037","","","0.0674","0.0826","","","","","","0.805","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508261","12.823","0.019","3.987","0.006","11.878","0.018","90","","104.38","0.02","90","","588.2","1.5","293","2","293","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Bi4 Fe S7 -","- Bi4 Fe S7 -","- Bi8 Fe2 S14 -","2","0.25","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cheng, Wen-Dan; Zhang, Wei-Long; Li, Yuan-Bing; Yang, Yi; Zhang, Hao; He, Zhang-Zhen","From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties","Crystal Growth & Design","2013","13","9","4118","","10.1021/cg4009398","","","0.71073","MoKα","","0.0528","0.042","","","0.0937","0.0997","","","","","","0.987","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508262","19.8663","0.0004","21.8289","0.0003","11.6384","0.0002","90","","116.935","0.003","90","","4499.6","0.18","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H32 N6 Ni2 O14 -","- C34 H20 N6 Ni2 O14 -","- C136 H80 N24 Ni8 O56 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0718","0.0677","","","0.1977","0.2041","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508263","19.8663","0.0004","21.8289","0.0003","11.6384","0.0002","90","","116.935","0.003","90","","4499.6","0.18","100.01","0.13","100.01","0.13","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0404","0.0376","","","0.1036","0.1052","","","","","","1.084","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508264","19.513","0.003","22.317","0.003","11.632","0.0015","90","","116.608","0.018","90","","4528.9","1.3","433","0.1","433","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0834","0.0709","","","0.2299","0.2465","","","","","","1.064","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508265","19.513","0.003","22.317","0.003","11.632","0.0015","90","","116.608","0.018","90","","4528.9","1.3","433","0.1","433","0.1","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C34 H20 N6 Ni2 O8 -","- C34 H20 N6 Ni2 O8 -","- C136 H80 N24 Ni8 O32 -","4","0.5","","Li, Yameng; Ju, Zhanfeng; Wu, Benlai; Yuan, Daqiang","A Water and Thermally Stable Metal‒Organic Framework Featuring Selective CO2Adsorption","Crystal Growth & Design","2013","13","9","4125","","10.1021/cg400948e","","","1.54184","CuKα","","0.0643","0.0541","","","0.1636","0.1703","","","","","","1.053","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508266","6.8456","0.0005","14.4051","0.001","20.891","0.0014","90","","103.566","0.003","90","","2002.6","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 Fe N4 -","- C24 H14 F4 Fe N4 -","- C96 H56 F16 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0514","0.0474","","","0.132","0.1342","","","","","","1.231","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508267","6.8934","0.0006","23.198","0.002","13.9021","0.0013","90","","94.965","0.002","90","","2214.8","0.3","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 F4 Fe N4 -","- C26 H18 F4 Fe N4 -","- C104 H72 F16 Fe4 N16 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0714","0.0475","","","0.1078","0.1184","","","","","","1.012","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508268","6.908","0.0009","12.2607","0.0015","15.056","0.003","111.163","0.003","98.851","0.003","96.721","0.002","1154.2","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F4 Fe N4 -","- C26 H18 F4 Fe N4 -","- C52 H36 F8 Fe2 N8 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0942","0.0554","","","0.1269","0.1451","","","","","","1.021","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508269","6.837","0.002","11.958","0.003","15.743","0.006","67.695","0.005","85.907","0.006","80.367","0.004","1174","0.6","90","","90","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 F4 Fe N4 -","- C27 H20 F4 Fe N4 -","- C54 H40 F8 Fe2 N8 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0937","0.0556","","","0.1288","0.1463","","","","","","1.017","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508270","8.7871","0.0013","12.7926","0.0019","15.286","0.002","90.751","0.003","104.949","0.002","90.639","0.002","1659.8","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 F4 Fe N8 -","- C38 H22 F4 Fe N8 -","- C76 H44 F8 Fe2 N16 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1322","0.0665","","","0.1188","0.1406","","","","","","0.999","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508271","8.8034","0.001","12.8426","0.0015","15.2449","0.0017","89.342","0.002","76.634","0.002","89.102","0.002","1676.6","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H24 F4 Fe N8 -","- C39 H24 F4 Fe N8 -","- C78 H48 F8 Fe2 N16 -","2","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1429","0.0574","","","0.1121","0.1438","","","","","","0.948","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508272","6.6911","0.0004","15.5049","0.001","31.364","0.002","90","","93.053","0.001","90","","3249.2","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Fe N8 -","- C40 H30 Fe N8 -","- C160 H120 Fe4 N32 -","4","1","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0586","0.0503","","","0.1455","0.1539","","","","","","1.177","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508273","7.675","0.002","14.563","0.004","28.821","0.007","86.928","0.003","89.697","0.004","79.129","0.004","3159","1.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H26 Fe N8 -","- C38 H26 Fe N8 -","- C152 H104 Fe4 N32 -","4","2","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.1627","0.0683","","","0.1204","0.1572","","","","","","0.94","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508274","7.5255","0.0006","7.6535","0.0006","13.4176","0.0011","101.755","0.002","93.869","0.002","94.593","0.002","751.38","0.1","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H22 Fe N8 -","- C35.998 H21.994 Fe N8 -","- C35.998 H21.994 Fe N8 -","1","0.5","","Mochida, Tomoyuki; Akasaka, Takahiro; Funasako, Yusuke; Nishio, Yutaka; Mori, Hatsumi","Crystal Architectures and Magnetic Properties of Alkylferrocenium Salts with FnTCNQ (n= 0, 2, 4): Effect of Substituents on the Self-Assembled Structures","Crystal Growth & Design","2013","13","10","4460","","10.1021/cg400954x","","","0.71073","MoKα","","0.0476","0.0434","","","0.1133","0.1173","","","","","","1.062","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508275","6.8248","0.0012","13.871","0.003","16.678","0.003","90","","90","","90","","1578.9","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N4 O10 Zn -","- C12 H14 N4 O10 Zn -","- C48 H56 N16 O40 Zn4 -","4","0.5","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0313","0.0268","","","0.0714","0.0747","","","","","","1.077","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508276","13.037","0.003","11.604","0.003","13.35","0.003","90","","115.572","0.002","90","","1821.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 N4 O11 Sm Zn -","- C12 H13 N4 O11 Sm Zn -","- C48 H52 N16 O44 Sm4 Zn4 -","4","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0488","0.0473","","","0.1379","0.139","","","","","","1.076","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508277","24.1908","0.0019","9.1472","0.0007","18.9567","0.0015","90","","114.252","0.001","90","","3824.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Eu N4 O12.5 Zn -","- C12 H16 Eu N4 O12.5 Zn -","- C96 H128 Eu8 N32 O100 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0337","0.03","","","0.0866","0.0893","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508278","24.399","0.005","9.2236","0.0019","19.186","0.004","90","","114.052","0.002","90","","3942.9","1.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 Gd N4 O10 Zn -","- C12 H10 Gd N4 O10 Zn -","- C96 H80 Gd8 N32 O80 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0621","0.0429","","","0.1058","0.1132","","","","","","1.09","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508279","24.368","0.017","9.214","0.006","19.198","0.013","90","","114.289","0.007","90","","3929","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O11.5 Tb Zn -","- C12 H14 N4 O11.5 Tb Zn -","- C96 H112 N32 O92 Tb8 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0267","0.0233","","","0.0592","0.0606","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508280","24.293","0.002","9.1816","0.0007","19.0218","0.0015","90","","114.22","0.001","90","","3869.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 Dy N4 O12 Zn -","- C12 H11 Dy N4 O10 Zn -","- C96 H88 Dy8 N32 O80 Zn8 -","8","1","","Feng, Xun; Ma, Lu-Fang; Liu, Lang; Wang, Li-Ya; Song, Hong-Liang; Xie, Shi-Yu","A Series of Heterometallic Three-Dimensional Frameworks Constructed from Imidazole‒Dicarboxylate: Structures, Luminescence, and Magnetic Properties","Crystal Growth & Design","2013","13","10","4469","","10.1021/cg4009587","","","0.71073","MoKα","","0.0399","0.029","","","0.0644","0.0684","","","","","","0.976","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508281","10.416","0.002","6.6732","0.0015","21.761","0.005","90","","98.927","0.004","90","","1494.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Cu2 N4 O16 P2 -","- C24 H30 Cu2 N4 O16 P2 -","- C48 H60 Cu4 N8 O32 P4 -","2","0.5","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0676","0.0426","","","0.1011","0.1094","","","","","","1.036","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508282","8.319","0.003","10.378","0.004","10.819","0.004","91.526","0.006","90.96","0.007","93.443","0.007","931.9","0.6","301","2","301","2","","","","","","","","6","P -1","-P 1","2","Cu-bpy-HEDP","","","- C12 H20 Cu N2 O10 P2 -","- C12 H20 Cu N2 O10 P2 -","- C24 H40 Cu2 N4 O20 P4 -","2","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.1224","0.1206","","","0.2509","0.2516","","","","","","1.485","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508283","7.295","0.0001","9.961","0.0003","14.531","0.0004","100.03","0.0012","90.062","0.0017","94.544","0.0016","1036.38","0.04","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H24 Cl Cu N3 O10 P2 -","- C13 H24 Cl Cu N3 O10 P2 -","- C26 H48 Cl2 Cu2 N6 O20 P4 -","2","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0299","0.0265","","","0.098","0.1021","","","","","","0.881","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508284","34.323","0.0005","11.038","0.0002","13.426","0.0002","90","","111.099","0.0008","90","","4745.54","0.13","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H28 Cl Cu N3 O11 P2 -","- C14 H28 Cl Cu N3 O11 P2 -","- C112 H224 Cl8 Cu8 N24 O88 P16 -","8","1","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0365","0.0284","","","0.0947","0.1023","","","","","","0.825","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508285","9.558","0.0001","10.064","0.0002","10.945","0.0002","114.887","0.0009","93.444","0.001","90.887","0.0009","952.36","0.03","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H44 Cu2 N4 O20 P4 -","- C24 H44 Cu2 N4 O20 P4 -","- C24 H44 Cu2 N4 O20 P4 -","1","0.5","","Demadis, Konstantinos D.; Panera, Aggeliki; Anagnostou, Zafeiria; Varouhas, Dimitris; Kirillov, Alexander M.; Císařová, Ivana","Disruption of “Coordination Polymer” Architecture in Cu2+Bis-Phosphonates and Carboxyphosphonates by Use of 2,2′-Bipyridine as Auxiliary Ligand: Structural Variability and Topological Analysis","Crystal Growth & Design","2013","13","10","4480","","10.1021/cg4009625","","","0.71073","MoKα","","0.0285","0.0259","","","0.1","0.1025","","","","","","0.906","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508286","46.2653","0.0005","46.2653","0.0005","15.95404","0.00018","90","","90","","120","","29574.1","0.6","150","2","150","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C40 H54 Mn4 N2 O22 -","- C40 H54 Mn4 N2 O22 -","- C720 H972 Mn72 N36 O396 -","18","1","","Dulcevscaia, Galina; Liu, Shi-Xia; Hauser, Jörg; Krämer, Karl W.; Frei, Gabriela; Müller, Andreas; Decurtins, Silvio","A Benzaldehyde Derivative as a Chelating Ligand: Helical Manganese(II) Coordination Polymers Assembling into a Porous Solid","Crystal Growth & Design","2013","13","9","4138","","10.1021/cg400972k","","","0.71073","MoKα","","0.0623","0.0503","","","0.1294","0.1355","","","","","","1.091","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508287","6.7916","0.001","10.8568","0.0015","16.137","0.003","90","","96.622","0.018","90","","1181.9","0.3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 N8 O12 S2 -","- C16 H24 N8 O12 S2 -","- C32 H48 N16 O24 S4 -","2","0.5","","Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min","Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives","Crystal Growth & Design","2013","13","10","4495","","10.1021/cg400979d","","","0.71073","MoKα","","0.0653","0.0495","","","0.1024","0.1098","","","","","","1.098","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508288","8.1287","0.0011","27.0318","0.0014","10.8606","0.0004","90","","99.894","0.006","90","","2350.9","0.4","102","2","102","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N2 Na2 O16.18 S2 -","- C14 H8 N2 Na2 O16.177 S2 -","- C56 H32 N8 Na8 O64.708 S8 -","4","1","","Yan, Dongpeng; Lin, Yanjun; Meng, Qingyun; Zhao, Minjun; Wei, Min","Layered Dinitrostilbene-Based Molecular Solids with Tunable Micro/Nanostructures and the Reversible Fluorescent Response to Explosives","Crystal Growth & Design","2013","13","10","4495","","10.1021/cg400979d","","","0.71073","MoKα","","0.0546","0.0454","","","0.1189","0.1249","","","","","","1.06","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508289","4.4077","0.0005","5.8495","0.0006","12.9648","0.0013","90.061","0.002","92.99","0.002","97.233","0.002","331.15","0.06","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","E,E-1,4-diiodobuta-1,3-diene","","- C4 H4 I2 -","- C4 H4 I2 -","- C8 H8 I4 -","2","1","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0336","0.0312","","","0.0838","0.0851","","","","","","1.243","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508290","8.1332","0.0015","10.967","0.002","13.866","0.003","90","","90.556","0.004","90","","1236.7","0.4","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DIBD UIC 90K","","","- C5 H14 I N6 O3 -","- C5 H14 I N6 O3 -","- C20 H56 I4 N24 O12 -","4","1","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0535","0.0527","","","0.1485","0.1488","","","","","","1.177","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508291","8.2184","0.0012","11.0206","0.0015","13.9866","0.0019","90","","90.387","0.003","90","","1266.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","DIBD UIC 298K","","","- C10 H28 I2 N12 O6 -","- C10 H28 I2 N12 O6 -","- C20 H56 I4 N24 O12 -","2","0.5","","Lashua, Amanda F.; Smith, Tiffany M.; Hu, Hegui; Wei, Lihui; Allis, Damian G.; Sponsler, Michael B.; Hudson, Bruce S.","Commensurate Urea Inclusion Crystals with the Guest (E,E)-1,4-Diiodo-1,3-Butadiene","Crystal Growth & Design","2013","13","9","3852","","10.1021/cg400980b","","","0.71073","MoKα","","0.0595","0.0524","","","0.1487","0.1533","","","","","","1.094","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508292","7.082","0.0004","9.4394","0.0005","9.9426","0.0006","70.354","0.002","69.519","0.002","83.639","0.002","586.38","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-43-6 1-bromo-4-iodotetrafluorobenzene, (2,3,5,6-tetramethylpyrazine)2","","- C22 H24 Br F4 I N4 -","- C22 H24 Br F4 I N4 -","- C22 H24 Br F4 I N4 -","1","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0387","0.0344","","","0.0853","0.0877","","","","","","1.042","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508293","13.6678","0.0007","13.8355","0.0008","11.3735","0.0006","90","","104.064","0.002","90","","2086.3","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PC-4-45-6 1-I-4-(4-Br-F4-phenyl)-F4-benzene, 2,3,5,6-Me4-pyridine","","- C20 H12 Br F8 I N2 -","- C20 H12 Br F8 I N2 -","- C80 H48 Br4 F32 I4 N8 -","4","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0351","0.0291","","","0.0731","0.0759","","","","","","1.021","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508294","14.121","0.006","4.3893","0.0017","14.377","0.006","90","","109.448","0.006","90","","840.3","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","J3 1-bromo-4-iodotetrafluorobenzene, 2,3,5,6-Me4-pyridine-1-oxide","","- C14 H12 Br F4 I N2 O -","- C14 H12 Br F4 I N2 O -","- C28 H24 Br2 F8 I2 N4 O2 -","2","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0546","0.049","","","0.1073","0.1104","","","","","","1.145","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508295","4.0681","0.0003","13.2198","0.0009","16.416","0.0011","107.014","0.004","91.675","0.003","98.09","0.004","833.49","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","J1 1-bromo-4-iodotetrafluorobenzene, 4,4'-bipyridyl-1-oxide","","- C16 H8 Br F4 I N2 O -","- C16 H8 Br F4 I N2 O -","- C32 H16 Br2 F8 I2 N4 O2 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0814","0.0447","","","0.0845","0.0981","","","","","","1.138","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508296","9.1185","0.0007","10.8775","0.0009","13.8025","0.0011","80.633","0.003","71.005","0.003","83.608","0.004","1274.71","0.18","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-45-11 1-I-4-(4-Br-F4-phenyl)-F4-benzene, 1-[(4-pyridyl)methyl]-5,6-dimethylbenzimidazole","","- C27 H15 Br F8 I N3 -","- C27 H15 Br F8 I N3 -","- C54 H30 Br2 F16 I2 N6 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0436","0.0355","","","0.0851","0.0887","","","","","","1.064","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508297","7.785","0.0005","11.3455","0.0007","12.8117","0.0009","114.949","0.003","95.31","0.003","90.597","0.003","1020.06","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","PC-4-45-2 1-iodo-4-(4-bromotetrafluorophenyl)-tetrafluorobenzene, 4-(dimethylamino)pyridine","","- C19 H10 Br F8 I N2 -","- C19 H10 Br F8 I N2 -","- C38 H20 Br2 F16 I2 N4 -","2","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0569","0.0459","","","0.1145","0.1202","","","","","","1.046","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508298","13.3208","0.0008","23.806","0.0014","7.8323","0.0004","90","","123.017","0.003","90","","2082.6","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","PC-4-45-3 1-iodo-4-(4-bromotetrafluorophenyl)-tetrafluorobenzene, 4-(1-pyrrolidinyl)-pyridine","","- C21 H12 Br F8 I N2 -","- C21 H12 Br F8 I N2 -","- C84 H48 Br4 F32 I4 N8 -","4","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0558","0.0435","","","0.1073","0.1137","","","","","","1.028","","","","has coordinates,has disorder","179618","2020-10-21","18:00:00",""
"4508299","7.1847","0.0007","25.234","0.003","8.0401","0.0008","90","","107.157","0.005","90","","1392.8","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PC-3-86a N-(4-I-phenyl)-4-Br-F4-benzamide","","- C13 H5 Br F4 I N O -","- C13 H5 Br F4 I N O -","- C52 H20 Br4 F16 I4 N4 O4 -","4","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0692","0.0525","","","0.1269","0.1387","","","","","","1.024","","","","has coordinates","179618","2020-10-21","18:00:00",""
"4508300","4.6568","0.0003","11.0639","0.0006","12.2258","0.0007","98.373","0.002","100.443","0.002","97.995","0.002","603.94","0.06","120","2","120","2","","","","","","","","7","P 1","P 1","1","","PC-4-55-8 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethylene","","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","- C25 H11 Br F8 I N3 O -","1","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0522","0.0518","","","0.1298","0.1302","","","","","","1.034","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508301","15.2758","0.0008","7.9588","0.0004","20.3245","0.001","90","","99.899","0.002","90","","2434.2","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","PC-4-55-5 (4-Br-F4-phenyl)-4-I-F4-benzamide, 1,2-bis(4-pyridyl)ethane","","- C25 H13 Br F8 I N3 O -","- C25 H13 Br F8 I N3 O -","- C100 H52 Br4 F32 I4 N12 O4 -","4","1","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.0527","0.0371","","","0.0947","0.103","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508302","4.7774","0.0007","7.9111","0.001","25.928","0.004","89.199","0.008","85.294","0.009","75.073","0.008","943.6","0.2","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","PC-4-55-6 (4-Br-F4-phenyl)-4-I-F4-benzamide, 4,4-bipyridyl","","- C36 H10 Br2 F16 I2 N4 O2 -","- C36 H10 Br2 F16 I2 N4 O2 -","- C36 H10 Br2 F16 I2 N4 O2 -","1","0.5","","Aaker Christer B.; Chopade, Prashant D.; Desper, John","Establishing a Hierarchy of Halogen Bonding by Engineering Crystals without Disorder","Crystal Growth & Design","2013","13","9","4145","","10.1021/cg400988m","","","0.71073","MoKα","","0.127","0.0842","","","0.1864","0.2117","","","","","","1.094","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508303","6.324","0.003","7.841","0.004","9.197","0.005","90.438","0.007","105.955","0.007","105.059","0.007","421.9","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H16 N2 O12 Se2 V2 -","- C8 H16 N2 O12 Se2 V2 -","- C8 H16 N2 O12 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0374","0.0306","","0.0669","0.062","0.0594","","","","","","0.9827","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508304","9.024","0.005","9.571","0.005","12.313","0.005","68.243","0.005","73.643","0.005","82.752","0.005","947.4","0.8","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 N2 O14 Se2 V2 -","- C8 H20 N2 O14 Se2 V2 -","- C16 H40 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0233","0.0224","","0.0668","0.0657","0.0651","","","","","","1.0433","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508305","6.3369","0.0016","8.509","0.002","9.413","0.002","95.363","0.003","108.245","0.003","105.236","0.003","456.46","0.19","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H18 N2 O14 Se2 V2 -","- C6 H18 N2 O14 Se2 V2 -","- C6 H18 N2 O14 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0298","0.0271","","0.0791","0.0773","0.0766","","","","","","0.9129","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508306","6.378","0.007","8.444","0.007","9.405","0.008","92.26","0.016","107.27","0.03","107.84","0.02","455.7","0.7","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H18 N2 O12 Se2 V2 -","- C8 H18 N2 O12 Se2 V2 -","- C8 H18 N2 O12 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0205","0.0189","","0.0476","0.0468","0.0464","","","","","","1.006","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508307","6.322","0.0008","8.5056","0.0011","9.397","0.0012","95.3642","0.0019","108.267","0.0017","105.122","0.0018","454.68","0.1","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H20 N2 O13 Se2 V2 -","- C8 H20 N2 O13 Se2 V2 -","- C8 H20 N2 O13 Se2 V2 -","1","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0547","0.0451","","0.0966","0.0932","0.0902","","","","","","1.1392","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508308","9.29","0.003","9.723","0.003","11.28","0.003","110.687","0.004","90.346","0.004","114.511","0.004","853.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.066","0.0432","","0","0","0.0781","","","","","","1.0108","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508309","9.2248","0.0002","11.2499","0.0003","9.3512","0.0002","90","","116.378","0.0015","90","","869.41","0.04","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","0.5","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0387","0.0239","","0.058","0.0543","0.0532","","","","","","0.9636","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508310","9.227","0.005","11.244","0.005","9.362","0.005","90","","116.077","0.005","90","","872.4","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0573","0.0384","","0.0866","0.0774","0.0733","","","","","","0.8758","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508311","9.225","0.0015","11.2463","0.0018","9.3681","0.0015","90","","116.074","0.002","90","","873","0.2","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H18 N2 O14 Se2 V2 -","- C7 H18 N2 O14 Se2 V2 -","- C14 H36 N4 O28 Se4 V4 -","2","1","","Koffer, Jacob H.; Olshansky, Jacob H.; Smith, Matthew D.; Hernandez, Kristen J.; Zeller, Matthias; Ferrence, Gregory M.; Schrier, Joshua; Norquist, Alexander J.","Formation Principles for Templated Vanadium Selenite Oxalates","Crystal Growth & Design","2013","13","10","4504","","10.1021/cg400992q","","","0.71073","MoKα","","0.0473","0.0346","","0.0952","0.0802","0.0737","","","","","","0.91","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508312","36.094","","12.017","","26.253","","90","","116.11","","90","","10225","","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H73 N3 O7 -","- C54 H73 N3 O7 -","- C432 H584 N24 O56 -","8","1","","Oueslati, Issam; Paixão, José A.; Rodrigues, Vítor H.; Suwinska, Kinga; Lesniewska, Barbara; Shkurenko, Aleksander; Eusébio, M. Ermelinda S.; Vicens, Jacques; Maria, Teresa M. R.; Ramalho, Amílcar L.","Generating Flexibility in Inclusion Compounds that Possess Solvent-Accessible Voids: An Alternative Route to Control Pore Size in Three-Dimensional Nanoporous Molecular Crystals","Crystal Growth & Design","2013","13","10","4512","","10.1021/cg400996w","","","0.71073","MoKα","","0.2241","0.1702","","","0.4374","0.4506","","","","","","2.845","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508313","36.004","0.001","12.039","0.0005","26.561","0.001","90","","115.979","0.002","90","","10349.6","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","IOBP54","","","- C55 H75 N3 O7 -","- C55 H75 N3 O7 -","- C440 H600 N24 O56 -","8","1","","Oueslati, Issam; Paixão, José A.; Rodrigues, Vítor H.; Suwinska, Kinga; Lesniewska, Barbara; Shkurenko, Aleksander; Eusébio, M. Ermelinda S.; Vicens, Jacques; Maria, Teresa M. R.; Ramalho, Amílcar L.","Generating Flexibility in Inclusion Compounds that Possess Solvent-Accessible Voids: An Alternative Route to Control Pore Size in Three-Dimensional Nanoporous Molecular Crystals","Crystal Growth & Design","2013","13","10","4512","","10.1021/cg400996w","","","0.71073","MoKα","","0.203","0.118","","","0.273","0.312","","","","","","1.02","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508314","14.1759","0.0014","14.8525","0.0014","10.514","0.0011","90","","97.91","0.02","90","","2192.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cd(N3)2(Me3en)]n","","","- C10 H28 Cd2 N16 -","- C10 H28 Cd2 N16 -","- C40 H112 Cd8 N64 -","4","1","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.0577","0.0451","","","0.0939","0.0992","","","","","","1.08","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508315","9.5324","0.0009","26.1975","0.0018","7.8996","0.0006","90","","111.624","0.017","90","","1833.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Cd(QUIN-R)(N3)2]2","","","- C36 H38 Cd2 N18 -","- C36 H38 Cd2 N18 -","- C72 H76 Cd4 N36 -","2","0.5","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.0443","0.0397","","","0.0854","0.0872","","","","","","1.166","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508316","8.5266","0.0008","8.7729","0.0009","11.163","0.0013","76.051","0.017","74.229","0.018","80.68","0.02","775.73","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Cd(MeDPA)(N3)2]2","","","- C26 H30 Cd2 N18 -","- C26 H30 Cd2 N18 -","- C26 H30 Cd2 N18 -","1","0.5","","Mautner, Franz A.; Louka, Febee R.; Hofer, Johannes; Spell, Mark; Lefèvre, Antoine; Guilbeau, Ashley E.; Massoud, Salah S.","One-Dimensional Cadmium Polymers with Alternative di(EO/EE) and di(EO/EO/EO/EE) Bridged Azide Bonding Modes","Crystal Growth & Design","2013","13","10","4518","","10.1021/cg400998r","","","0.71073","MoKα","","0.019","0.0187","","","0.0457","0.0459","","","","","","1.058","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508317","6.932","0.005","10.526","0.007","11.729","0.008","90","","90","","90","","855.8","1","293","2","293.15","","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C5 H7 Br2 N S -","- C5 H7 Br2 N S -","- C20 H28 Br8 N4 S4 -","4","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0315","","","","0.0535","","","","","","0.815","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508318","8.458","0.002","32.333","0.007","6.573","0.0016","93.159","0.003","105.191","0.003","90.361","0.003","1731.7","0.7","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 I N Ni2 S21 -","- C17 H7 I N Ni2 S21 -","- C34 H14 I2 N2 Ni4 S42 -","2","1","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0336","","","","0.0798","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508319","17.171","0.003","19.413","0.003","6.5771","0.0011","104.896","0.006","96.941","0.007","75.535","0.007","2047.8","0.6","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H14 Cl2 N2 Ni5 S52 -","- C40 H14 Cl2 N2 Ni5 S52 -","- C40 H14 Cl2 N2 Ni5 S52 -","1","0.5","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0591","","","","0.1691","","","","","","1.013","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508320","8.4145","0.0002","32.4067","0.0014","6.561","0.0001","93.383","0.005","106.376","0.004","89.798","0.006","1713.36","0.1","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H7 Br N Ni2 S21 -","- C17 H7 Br N Ni2 S21 -","- C34 H14 Br2 N2 Ni4 S42 -","2","1","","Kusamoto, Tetsuro; Yamamoto, Hiroshi M.; Kato, Reizo","Utilization of σ-Holes on Sulfur and Halogen Atoms for Supramolecular Cation···Anion Interactions in Bilayer Ni(dmit)2Anion Radical Salts","Crystal Growth & Design","2013","13","10","4533","","10.1021/cg401028u","","","0.71073","MoKα","","","0.0318","","","","0.0746","","","","","","0.985","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508321","13.849","0.004","24.297","0.006","7.644","0.002","90","","90","","90","","2572.1","1.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C50 H70.5 N2 O14.25 -","- C50 H70.52 N2 O14.25 -","- C100 H141.04 N4 O28.5 -","2","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1441","0.0948","","","0.2304","0.2695","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508322","12.3744","0.0003","17.4418","0.0005","16.2582","0.0005","90","","94.469","0.002","90","","3498.37","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 K2 O15 -","- C36 H36 K2 O15 -","- C144 H144 K8 O60 -","4","1","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.0617","0.0491","","","0.1278","0.1351","","","","","","1.029","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508323","30.8147","0.0005","19.4575","0.0003","17.468","0.0003","90","","90","","90","","10473.4","0.3","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C111 H110 O42 Rb4 -","- C111 H106 O42 Rb4 -","- C444 H424 O168 Rb16 -","4","0.5","","Hwang, Doomi; Lee, Eunji; Jung, Jong Hwa; Lee, Shim Sung; Park, Ki-Min","Formation of Calix[4]arene-Based Supramolecular Gels Triggered by K+and Rb+: Exemplification of a Structure‒Property Relationship","Crystal Growth & Design","2013","13","10","4177","","10.1021/cg401084w","","","0.71073","MoKα","","0.1717","0.0773","","","0.1597","0.1877","","","","","","1.078","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508324","29.4749","0.0007","29.4749","0.0007","6.1687","0.0003","90","","90","","120","","4641.2","0.3","100","","100","2","","","","","","","","4","R -3 :H","-R 3","148","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C108 H144 B36 O72 -","18","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.1447","0.0506","","","0.0646","0.0722","","","","2.49","2.49","1.78","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508325","11.2581","0.0006","5.1451","0.0003","16.8214","0.001","90","","92.438","0.003","90","","973.48","0.1","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-phenylenediboronic acid","","- C6 H12 B2 O6 -","- C6 H12 B2 O6 -","- C24 H48 B8 O24 -","4","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.0931","0.0377","","","0.0328","0.0362","","","","1.56","1.56","1.29","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508326","5.8016","0.0004","11.9737","0.0007","11.5439","0.0006","90","","95.392","0.005","90","","798.37","0.08","100","","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,2-phenylenediboronic acid","","- C6 H8 B2 O4 -","- C6 H8 B2 O4 -","- C24 H32 B8 O16 -","4","1","","Durka, Krzysztof; Jarzembska, Katarzyna N.; Kamiński, Radosław; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Nanotubular Hydrogen-Bonded Organic Framework Architecture of 1,2-Phenylenediboronic Acid Hosting Ice Clusters","Crystal Growth & Design","2013","13","10","4181","","10.1021/cg401087j","","x-ray","0.71073","MoKα","","0.0539","0.0249","","","0.0284","0.0323","","","","1.39","1.39","1.26","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508327","11.0142","0.0003","13.8001","0.0005","13.9728","0.0004","109.523","0.003","108.236","0.003","93.482","0.003","1868.49","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H54 B2 Cu6 Fe2 N30 O8 -","- C48 H46 B2 Cu6 Fe2 N30 O8.17 -","- C48 H46 B2 Cu6 Fe2 N30 O8.17 -","1","0.5","","Mondal, Abhishake; Dassié Pierre-Igor; Chamoreau, Lise-Marie; Journaux, Yves; Julve, Miguel; Lisnard, Laurent; Lescouëzec, Rodrigue","Combining Cyanometalates and Coordination Clusters: An Alternative Synthetic Route toward Original Molecular Materials","Crystal Growth & Design","2013","13","10","4190","","10.1021/cg401117u","","","0.6683","synchrotron","","0.0649","0.053","","","0.1488","0.1575","","","","","","1.087","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508328","14.3611","0.0005","12.8622","0.0004","15.1403","0.0005","90","","96.862","0.003","90","","2776.61","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 O8 Zn2 -","- C28 H36 O8 Zn2 -","- C112 H144 O32 Zn8 -","4","1","","Aiyappa, Harshitha Barike; Pachfule, Pradip; Banerjee, Rahul; Kurungot, Sreekumar","Porous Carbons from Nonporous MOFs: Influence of Ligand Characteristics on Intrinsic Properties of End Carbon","Crystal Growth & Design","2013","13","10","4195","","10.1021/cg401122u","","","0.71073","MoKα","","0.0608","0.041","","","0.1231","0.1472","","","","","","0.858","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508329","8.946","0.0007","14.928","0.0013","15.233","0.0015","106.191","0.002","98.17","0.001","99.793","0.001","1886.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H72 Cl2 N16 O4 -","- C86 H72 Cl2 N16 O4 -","- C86 H72 Cl2 N16 O4 -","1","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1961","0.0835","","","0.1933","0.246","","","","","","0.849","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508330","15.5125","0.0017","21.9149","0.0012","16.3766","0.0016","90","","116.89","0.002","90","","4965.3","0.8","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C87 H63 Cl3 Mn2 N17 O -","- C87 H63 Cl3 Mn2 N17 O -","- C174 H126 Cl6 Mn4 N34 O2 -","2","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1638","0.0783","","","0.203","0.2301","","","","","","1.054","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508331","7.2141","0.001","21.907","0.003","31.377","0.004","99.682","0.002","93.042","0.002","98.493","0.002","4819.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C99 H88 Cu4 N16 O20 -","- C99 H88 Cu4 N16 O20 -","- C198 H176 Cu8 N32 O40 -","2","1","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1136","0.08","","","0.2235","0.2446","","","","","","1.053","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508332","17.2782","0.0012","20.2243","0.0011","38.877","0.003","90","","107.404","0.002","90","","12963.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C92 H68 N16 O8 Zn3 -","- C92 H68 N16 O8 Zn3 -","- C368 H272 N64 O32 Zn12 -","4","1","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1465","0.0725","","","0.1749","0.1952","","","","","","1.018","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508333","9.2341","0.001","11.853","0.0012","21.174","0.002","80.509","0.001","84.605","0.001","87.389","0.002","2274.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H85 Cd2 N17 O13 -","- C97 H85 Cd2 N17 O13 -","- C97 H85 Cd2 N17 O13 -","1","0.5","","Zha, Quanzheng; Ding, Caixia; Rui, Xing; Xie, Yongshu","A Novel Porphyrin-Based Ligand Containing Four 4,4′-Dipyridylamine Moieties: Syntheses, Structures, and Luminescent Properties of Mn(II), Cu(II), Zn(II), and Cd(II) Coordination Polymers","Crystal Growth & Design","2013","13","10","4583","","10.1021/cg4011289","","","0.71073","MoKα","","0.1296","0.086","","","0.2051","0.247","","","","","","1.026","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508334","14.1354","0.0005","21.1391","0.0007","14.212","0.0005","90","","90","","90","","4246.7","0.3","100","2","100","2","","","","","","","","2","P b c m","-P 2c 2b","57","D5h-C90.CS2","","","- C91 S2 -","- C91 S2 -","- C364 S8 -","4","0.5","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.0955","0.0873","","","0.2354","0.2387","","","","","","1.157","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508335","10.1998","0.0004","14.254","0.0006","14.3062","0.0006","86.279","0.003","73.297","0.002","89.643","0.003","1987.82","0.14","90","2","90","2","","","","","","","","2","P -1","-P 1","2","C70 3CS2","C70 3CS2","","- C73 S6 -","- C73 S6 -","- C146 S12 -","2","1","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","1.54178","CuKα","","0.0842","0.0815","","","0.2453","0.2471","","","","","","1.129","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508336","19.2587","0.0011","19.5039","0.0011","19.8293","0.0011","90","","106.076","0.004","90","","7157","0.7","90","2","90","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2C70, 3CS2 solvate","","","- C143 S6 -","- C143 S6 -","- C572 S24 -","4","1","","Bowles, Faye L.; Mercado, Brandon Q.; Ghiassi, Kamran B.; Chen, Susanne Y.; Olmstead, Marilyn M.; Yang, Hua; Liu, Ziyang; Balch, Alan L.","Ordered Structures from Crystalline Carbon Disulfide Solvates of the Nano-Tubular FullerenesD5h(1)-C90andD5h-C70","Crystal Growth & Design","2013","13","10","4591","","10.1021/cg401138g","","","0.7749","synchrotron","","0.1107","0.1055","","","0.2577","0.2604","","","","","","1.151","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508337","6.249","0.004","12.774","0.006","11.848","0.005","90","","111.29","0.03","90","","881.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0576","0.0526","","","0.1762","0.18","","","","","","1.117","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508338","9.356","0.006","9.541","0.005","11.672","0.006","90","","121.72","0.04","90","","886.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O3 -","- C8 H12 N2 O3 -","- C32 H48 N8 O12 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0682","0.061","","","0.1587","0.1665","","","","","","1.122","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508339","7.47","0.003","16.818","0.004","11.912","0.005","90","","121.09","0.03","90","","1281.5","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O7 -","- C12 H14 N2 O7 -","- C48 H56 N8 O28 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.0633","0.0603","","","0.1633","0.1674","","","","","","1.115","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508340","6.536","0.006","10.844","0.009","14.095","0.011","90","","103.17","0.05","90","","972.7","1.4","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C32 H56 N8 O16 -","4","1","","Portell, Anna; Font-Bardia, Mercè; Prohens, Rafel","Self-Assembling of Zwitterionic Squaramides through Electrostatically Compressed Face-to-Face π-Stacking: A New Supramolecular Synthon","Crystal Growth & Design","2013","13","10","4200","","10.1021/cg401161d","","","0.71073","MoKα","","0.1067","0.0459","","","0.1135","0.126","","","","","","0.907","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508341","10.335","0.005","27.054","0.005","15.012","0.005","90","0.005","99.885","0.005","90","0.005","4135","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H62 N2 O4 Sn2 -","- C38 H62 N2 O4 Sn2 -","- C152 H248 N8 O16 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.0745","0.0604","","","0.1576","0.174","","","","","","1.05","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508342","6.915","0.005","12.362","0.005","27.938","0.005","90","0.005","96.11","0.005","90","0.005","2375","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O5 Sn2 -","- C20 H28 N2 O5 Sn2 -","- C80 H112 N8 O20 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.0639","0.0421","","","0.0901","0.1012","","","","","","1.007","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508343","18.736","0.005","11.368","0.005","31.72","0.005","90","0.005","97.254","0.005","90","0.005","6702","4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H39 N3 O4 Sn -","- C38 H39 N3 O4 Sn -","- C304 H312 N24 O32 Sn8 -","8","2","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet; Metre, Ramesh K.","Reactions of (E)-5-(Pyridin-4-yl-methyleneamino)isophthalic Acid (LH2) with Triorganotin Oxides and −Chloride. Formation of One-Dimensional- and Two-Dimensional-Coordination Polymers","Crystal Growth & Design","2013","13","10","4607","","10.1021/cg401201w","","","0.71069","MoKα","","0.1001","0.0547","","","0.1141","0.1506","","","","","","1.024","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508344","17.2783","0.0014","19.6504","0.0014","16.1383","0.0013","90","","93.623","0.002","90","","5468.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C43.5 H43 N4.5 O11.25 Zn2 -","- C43.5 H43 N4.5 O11.25 Zn2 -","- C174 H172 N18 O45 Zn8 -","4","0.5","","Hu, Zhichao; Pramanik, Sanhita; Tan, Kui; Zheng, Chong; Liu, Wei; Zhang, Xiao; Chabal, Yves J.; Li, Jing","Selective, Sensitive, and Reversible Detection of Vapor-Phase High Explosives via Two-Dimensional Mapping: A New Strategy for MOF-Based Sensors","Crystal Growth & Design","2013","13","10","4204","","10.1021/cg4012185","","","0.71073","MoKα","","0.093","0.0731","","","0.2231","0.2345","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508345","7.9641","0.0002","9.8799","0.0002","14.3577","0.0003","89.3256","0.0007","79.2529","0.0007","69.5388","0.0006","1038.14","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 Ag Cl N2 O4.5 -","- C22 H17 Ag Cl N2 O4.5 -","- C44 H34 Ag2 Cl2 N4 O9 -","2","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.043","0.0347","","","0.0945","0.1042","","","","","","1.005","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508346","20.58","0.0003","17.9639","0.0003","13.8076","0.0002","90","","90","","90","","5104.63","0.14","220","2","220","2","","","","","","","","7","P n n a","-P 2a 2bc","52","","","","- C25 H22 Ag F3 N2 O4 S -","- C25 H12 Ag F3 N2 O4 S -","- C200 H96 Ag8 F24 N16 O32 S8 -","8","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.1064","0.076","","","0.2418","0.2626","","","","","","1.083","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508347","7.4996","0.0003","9.687","0.0004","15.6202","0.0005","82.288","0.002","86.823","0.003","69.603","0.002","1053.97","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C20.5 H14 Ag B F4 N2 O0.5 -","- C20.5 H14 Ag B F4 N2 O0.5 -","- C41 H28 Ag2 B2 F8 N4 O -","2","1","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0976","0.0574","","","0.1834","0.2054","","","","","","1.094","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508348","5.2491","0.0004","18.8288","0.0016","17.7483","0.0015","90","","94.342","0.001","90","","1749.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Ag N3 O4 -","- C20 H14 Ag N3 O4 -","- C80 H56 Ag4 N12 O16 -","4","0.5","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0296","0.0286","","","0.0648","0.0653","","","","","","1.175","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508349","9.4363","0.0007","10.8242","0.0009","24.6516","0.0019","87.085","0.001","86.609","0.001","65.394","0.001","2284.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H72 Ag2 B2 F8 N12 -","- C120 H72 Ag2 B2 F8 N12 -","- C120 H72 Ag2 B2 F8 N12 -","1","0.5","","Tzeng, Biing-Chiau; Banik, Manas; Selvam, TamilSelvi; Lee, Gene-Hsiang","Self Assembly of Silver(I) Complexes Containing 1,4-Bis[(3-pyridyl)ethynyl]benzene","Crystal Growth & Design","2013","13","10","4245","","10.1021/cg4012422","","","0.71073","MoKα","","0.0358","0.031","","","0.0759","0.0782","","","","","","1.064","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508350","13.7662","0.0002","16.8462","0.0003","8.50641","0.00011","90","","95.9664","0.0012","90","","1962.02","0.05","123","0.1","123","0.1","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C27 H45 F24 K N6 P4 -","- C27 H45 F24 K N6 P4 -","- C54 H90 F48 K2 N12 P8 -","2","0.5","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.0335","0.0333","","","0.0895","0.0896","","","","","","1.043","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508351","37.5461","0.0003","37.5461","0.0003","37.5461","0.0003","90","","90","","90","","52929.1","0.7","123.01","0.1","123.01","0.1","","","","","","","","6","F d -3 m","-F 4vw 2vw 3","227","","","","- C108 H204 F90 N24 O12 P15 -","- C108 H216 F89.84 N24 O12 P15.08 -","- C864 H1728 F718.72 N192 O96 P120.64 -","8","","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1741","0.1595","","","0.4185","0.4428","","","","","","1.751","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508352","17.73792","0.00017","17.73792","0.00017","17.73792","0.00017","90","","90","","90","","5580.95","0.09","123.01","0.1","123.01","0.1","","","","","","","","7","P -4 3 m","P -4 2 3","215","","","","- C120 H216 F120 K4 N24 O6 P20 -","- C120 H216 F120.04 K4.8784 N24 O6 P20 -","- C120 H216 F120.04 K4.8784 N24 O6 P20 -","1","0.0416667","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.057","0.0551","","","0.1535","0.1563","","","","","","1.066","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508353","12.7737","0.0003","14.482","0.0003","23.5105","0.0004","90.8733","0.0016","93.7874","0.0016","90.4275","0.0017","4339.02","0.15","123","0.1","123","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C60 H130 F36 N12 O14 P6 -","- C60 H130 F36 N12 O14 P6 -","- C120 H260 F72 N24 O28 P12 -","2","1","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.1013","0.0927","","","0.2578","0.267","","","","","","1.017","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508393","19.1498","0.0006","17.707","0.0004","29.3088","0.0007","90","","103.252","0.001","90","","9673.5","0.4","90","","90","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C76 H98 Mn3 N40 Nb2 O12 -","- C76 H74 Mn3 N40 Nb2 O12 -","- C304 H296 Mn12 N160 Nb8 O48 -","4","0.5","","Imoto, Kenta; Nakagawa, Kosuke; Miyahara, Hiroyuki; Ohkoshi, Shin-ichi","Super-Ionic Conductive Magnet Based on a Cyano-Bridged Mn‒Nb Bimetal Assembly","Crystal Growth & Design","2013","13","11","4673","","10.1021/cg400390b","","","0.71075","MoKα","","","0.0446","","","","0.1124","","","","","","1.152","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508394","18.4293","","7.9248","","14.6842","","90","","103.281","","90","","2087.25","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Xaliproden","","","- C23 H23 Cl F3 N -","- C24 Cl F3 N -","- C96 Cl4 F12 N4 -","4","1","","Chandrappa, Ravi Kumar; Ochsenbein, Philippe; Martineau, Charlotte; Bonin, Michel; Althoff, Gerhard; Engelke, Frank; Malandrini, Harold; Castro, Bertrand; El Hajji, Mohamed; Taulelle, Francis","Polymorphism in Xaliproden (SR57746A): An X-ray Diffraction, Calorimetric, and Solid-State NMR Investigation","Crystal Growth & Design","2013","13","11","4678","","10.1021/cg400441r","powder diffraction","x-ray","0.79975","synchrotron","","0.0845","0.0742","","0.0851","0.0845","","","","3.7","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508395","19.9604","0.0009","17.7159","0.0006","14.733","0.0007","90","","120.641","0.006","90","","4482.4","0.4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H34 N4 O16 Zn3 -","- C50 H34 N4 O16 Zn3 -","- C200 H136 N16 O64 Zn12 -","4","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0534","0.0346","","","0.062","0.0665","","","","","","0.983","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508396","9.293","0.0006","10.1006","0.0006","10.9952","0.0006","99.79","0.004","90.398","0.004","105.709","0.005","977.52","0.1","293","","293","","","","","","","","","5","P 1","P 1","1","","","","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","- C40 H30 N2 O18 Zn3 -","1","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0562","0.0504","","","0.1242","0.1303","","","","","","1.063","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508397","35.892","0.002","8.2785","0.0003","19.2066","0.0013","90","","110.656","0.007","90","","5340","0.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 N4 O24 Zn3 -","- C50 H46 N4 O24 Zn3 -","- C200 H184 N16 O96 Zn12 -","4","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71069","MoKα","","0.0864","0.0564","","","0.1364","0.1491","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508398","10.568","0.0004","13.7987","0.0005","25.5505","0.0008","94.475","0.003","97.521","0.003","98.646","0.003","3633.7","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H70 N12 O21 Zn3 -","- C72 H70 N12 O21 Zn3 -","- C144 H140 N24 O42 Zn6 -","2","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0932","0.0541","","","0.1207","0.1329","","","","","","0.974","","","","has coordinates","179619","2020-10-21","18:00:00",""
"4508399","12.6677","0.0006","13.7245","0.0008","21.2317","0.0012","87.678","0.005","80.02","0.004","75.326","0.004","3516.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 N12 O18 Zn3 -","- C72 H62 N12 O18 Zn3 -","- C144 H124 N24 O36 Zn6 -","2","1","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0962","0.0529","","","0.1103","0.125","","","","","","0.984","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"4508400","9.2462","0.0007","9.8313","0.0007","16.3925","0.0009","75.725","0.005","78.233","0.005","66.308","0.007","1313.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H44 N8 O14 Zn2 -","- C58 H44 N8 O14 Zn2 -","- C58 H44 N8 O14 Zn2 -","1","0.5","","Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang","Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands","Crystal Growth & Design","2013","13","11","4695","","10.1021/cg4007372","","","0.71073","MoKα","","0.0635","0.0413","","","0.0693","0.0739","","","","","","1","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508401","9.1551","0.001","10.9184","0.0013","11.0126","0.0012","90","","101.042","0.011","90","","1080.4","0.2","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C50 H60 Cl2 N2 O6 -","2","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.54184","CuKα","","0.0895","0.0539","","0.16","0.1051","0.16","","","","","","0.9983","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508402","10.9483","0.0003","10.9241","0.0003","18.0149","0.0005","90","","100.685","0.003","90","","2117.23","0.1","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl N O3 -","- C25 H30 Cl N O3 -","- C100 H120 Cl4 N4 O12 -","4","1","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","","1.5418","CuKα","","0.068","0.0536","","0.1006","0.0933","0.1006","","","","","","0.9999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508403","9.7087","0.0006","14.3561","0.0008","18.8051","0.0011","70.573","0.005","88.567","0.005","88.179","0.005","2470.3","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H36 Cl N O4 -","- C27 H36 Cl N O4 -","- C108 H144 Cl4 N4 O16 -","4","2","","Skořepová, Eliška; Čejka, Jan; Hušák, Michal; Eigner, Václav; Rohlíček, Jan; Šturc, Antonín; Kratochvíl, Bohumil","Trospium Chloride: Unusual Example of Polymorphism Based on Structure Disorder","Crystal Growth & Design","2013","13","12","5193","","10.1021/cg4007394","","x-ray","1.5418","CuKα","","0.075","0.0478","","","0.0934","0.1042","","","","1.1","1.1","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508404","15.675","0.002","15.675","0.002","15.675","0.002","90","","90","","90","","3851.4","0.9","163","2","163","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- Cd3 H72 O82 S0.5 V18.5 -","- Cd3 H48 O82 S0.5 V18.5 -","- Cd6 H96 O164 S V37 -","2","0.0208333","","Khan, M. Ishaque; Putrevu, Naga Ravikanth; Ayesh, Samar; Yohannes, Elizabeth H.; Cage, Brant; Doedens, Robert J.","Crystalline Framework Material Containing Arrays of Vanadium Oxide Nanoclusters: A Polyoxovanadate Framework with Room Temperature NOxSensing Properties","Crystal Growth & Design","2013","13","11","4667","","10.1021/cg4007444","","","0.71073","MoKα","","0.0384","0.0378","","","0.113","0.1134","","","","","","1.239","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508405","7.398","0.005","8.098","0.002","16.35","0.002","90","","90","","90","","979.5","0.7","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","anti-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C40 H32 Br8 O8 -","4","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0738","0.0459","","","0.1082","0.1173","","","","","","1.036","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508406","7.94","0.002","8.507","0.002","10.553","0.003","86.884","0.004","85.697","0.004","79.874","0.004","699.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","anti-1b","","","- C16 H22 O2 -","- C16 H22 O2 -","- C32 H44 O4 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0722","0.0563","","","0.1335","0.1439","","","","","","1.034","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508407","8.239","0.002","10.647","0.003","11.165","0.003","77.429","0.004","88.536","0.003","81.523","0.004","945.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","anti-1c","","","- C24 H22 O2 -","- C24 H22 O2 -","- C48 H44 O4 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0771","0.0559","","","0.1481","0.1583","","","","","","1.068","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508408","14.16","0.005","14.16","0.005","10.639","0.005","90","","90","","90","","2133.2","1.5","100","2","100","2","","","","","","","","3","P 4/n :2","-P 4a","85","anti-1d","","","- C26 H26 O2 -","- C26 H26 O2 -","- C104 H104 O8 -","4","0.5","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71069","MoKα","","0.0815","0.0507","","","0.0856","0.092","","","","","","1.006","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508409","14.727","0.003","8.144","0.0006","16.355","0.003","90","","92.46","0.03","90","","1959.8","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","syn-1a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C80 H64 Br16 O16 -","8","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.114","0.0536","","","0.0893","0.0989","","","","","","1.033","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508410","11.427","0.003","15.005","0.006","12.378","0.003","90","","95.86","0.02","90","","2111.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","syn-2a","","","- C10 H8 Br2 O2 -","- C10 H8 Br2 O2 -","- C80 H64 Br16 O16 -","8","2","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.2883","0.0741","","","0.1235","0.1594","","","","","","1.006","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508411","6.5194","0.0013","10.832","0.002","11.734","0.002","62.664","0.003","81.449","0.004","78.996","0.004","720.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","syn-2b","","","- C16 H24 O3 -","- C16 H24.01 O3 -","- C32 H48.02 O6 -","2","1","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0707","0.0542","","","0.13","0.1386","","","","","","1.095","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508412","16.9056","0.0013","13.3322","0.001","16.9493","0.0012","90","","90.21","0.002","90","","3820.2","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","syn-2c","","","- C24 H22 O2 -","- C24 H22 O2 -","- C192 H176 O16 -","8","2","","Bajpai, Alankriti; Venkatakrishnan, Parthasarathy; Mandal, Susovan; Samanta, Subhas; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Conformationally Rigid Dialcohols (Bis-Benzocyclobutenols): Supramolecular Cyclophanes and Arrays","Crystal Growth & Design","2013","13","11","4714","","10.1021/cg400791a","","","0.71073","MoKα","","0.0613","0.0454","","","0.0965","0.1004","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508413","27.09","0.003","9.0376","0.0009","31.579","0.003","90","","90","","90","","7731.4","1.4","273","2","273","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C38 H44 O10 -","- C38 H44 O10 -","- C304 H352 O80 -","8","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.2235","0.1222","","","0.2899","0.3324","","","","","","1.083","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508414","40.165","0.005","8.7427","0.0009","30.099","0.004","90","","124.743","0.005","90","","8685","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-dibenzo-18-crown-6}-2water","","- C100 H103 K O28 -","- C100 H98 K O28 -","- C400 H392 K4 O112 -","4","0.5","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.1616","0.0774","","","0.1539","0.18","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508415","12.8757","0.0014","14.1279","0.0015","24.656","0.003","90","","101.695","0.002","90","","4392","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-2methanol","","- C44 H55 K O14 -","- C44 H55 K O14 -","- C176 H220 K4 O56 -","4","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.0754","0.058","","","0.1529","0.1666","","","","","","1.044","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508416","11.7667","0.0014","14.3953","0.0018","15.0075","0.0018","63.93","0.002","78.362","0.002","78.915","0.002","2220.9","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{potassium-18-crown-6}-dimethylformamide","","- C45 H54 K N O13 -","- C45 H54 K N O13 -","- C90 H108 K2 N2 O26 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.0769","0.0541","","","0.1272","0.1426","","","","","","1.045","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508417","12.413","0.004","14.033","0.005","17.701","0.006","107.579","0.006","109.44","0.006","96.641","0.007","2690.5","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Tris(4-carboxyphenyl)mesitylene","1,3,5-Tris(4-carboxyphenyl)mesitylene-{ammonium-18-crown-6}-2dimethoxyethane-2water","","- C48 H75 N O19 -","- C48 H61 N O18.98 -","- C96 H122 N2 O37.96 -","2","1","","Bajpai, Alankriti; Venugopalan, Paloth; Moorthy, Jarugu Narasimha","Self-Assembly of Rigid Three-Connecting Mesitylenetribenzoic Acid: Multifarious Supramolecular Synthons and Solvent-Induced Supramolecular Isomerism","Crystal Growth & Design","2013","13","11","4721","","10.1021/cg400805c","","","0.71073","MoKα","","0.1771","0.1317","","","0.3449","0.3711","","","","","","1.041","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508418","25.83","0.004","25.83","0.004","11.945","0.002","90","","90","","90","","7970","2","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C12 H19 Gd2 N3 O14 -","- C12 H19 Gd2 N3 O14 -","- C192 H304 Gd32 N48 O224 -","16","1","","Jia, Ji-Min; Liu, Sui-Jun; Cui, Yu; Han, Song-De; Hu, Tong-Liang; Bu, Xian-He","3D GdIIIComplex Containing Gd16Macrocycles Exhibiting Large Magnetocaloric Effect","Crystal Growth & Design","2013","13","11","4631","","10.1021/cg4008735","","","0.71073","MoKα","","0.0874","0.0785","","","0.1793","0.1837","","","","","","1.236","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508419","17.127","0.003","21.794","0.004","13.13","0.003","90","","127.91","0.03","90","","3867","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Mn2 N8 O4 W -","- C10 H7 Mn2 N8 O4 W -","- C80 H56 Mn16 N64 O32 W8 -","8","1","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0333","0.0326","","","0.0852","0.0857","","","","","","1.105","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508420","17.0077","0.0012","21.9812","0.0015","13.0699","0.0009","90","","127.521","0.003","90","","3875.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H8 Mn2 Mo N8 O3 -","- C9 H4 Mn2 Mo N8 O3 -","- C72 H32 Mn16 Mo8 N64 O24 -","8","1","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0564","0.0472","","","0.1272","0.1312","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508421","12.429","0.003","12.429","0.003","16.976","0.003","90","","90","","90","","2622.5","1","293","2","293","2","","","","","","","","7","P 42/m","-P 4c","84","","","","- C32 H56 Cl Mn2 N16 O12 W -","- C32 H56 Cl Mn2 N16 O12 W -","- C64 H112 Cl2 Mn4 N32 O24 W2 -","2","0.25","","Qian, Jun; Hu, Jingchun; Zhang, Jinfang; Yoshikawa, Hirofumi; Awaga, Kunio; Zhang, Chi","Solvent-Induced Assembly of Octacyanometalates-Based Coordination Polymers with Uniqueafm1 Topology and Magnetic Properties","Crystal Growth & Design","2013","13","12","5211","","10.1021/cg400909b","","","0.71073","MoKα","","0.0275","0.0235","","","0.0558","0.0577","","","","","","1.05","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508422","11.609","0.0005","10.6201","0.0004","21.7532","0.0007","90","","100.085","0.003","90","","2640.49","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 N6 O7.5 Zn -","- C26 H20 N6 O7.5 Zn -","- C104 H80 N24 O30 Zn4 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0677","0.0433","","","0.09","0.1015","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508423","10.2619","0.0005","10.9485","0.0004","12.138","0.0006","97.356","0.004","111.722","0.004","98.361","0.004","1228.65","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N6 O6 Zn -","- C26 H20 N6 O6 Zn -","- C52 H40 N12 O12 Zn2 -","2","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0373","0.0312","","","0.0768","0.08","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508424","17.6724","0.0006","7.5085","0.0002","21.7973","0.0008","90","","103.479","0.004","90","","2812.69","0.17","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 Cd2 N6 O11 -","- C28 H18 Cd2 N6 O11 -","- C112 H72 Cd8 N24 O44 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0392","0.0304","","","0.063","0.0675","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508425","10.126","0.0004","14.116","0.0004","18.18","0.0006","94.156","0.002","93.21","0.003","96.077","0.003","2571.91","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22.5 N6 O7.25 Zn -","- C26 H20 N6 O7.25 Zn -","- C104 H80 N24 O29 Zn4 -","4","2","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71069","MoKα","","0.0553","0.0412","","","0.0977","0.1056","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508426","10.4405","0.0007","20.454","0.0014","13.3926","0.0008","90","","94.425","0.006","90","","2851.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N6 O10 Zn -","- C26 H28 N6 O10 Zn -","- C104 H112 N24 O40 Zn4 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.082","0.0336","","","0.0385","0.041","","","","","","0.736","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508427","9.9036","0.0004","9.9448","0.0004","13.9265","0.0006","75.321","0.004","76.496","0.004","81.47","0.003","1284.35","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N6 O7 -","- C26 H20 Cd N6 O7 -","- C52 H40 Cd2 N12 O14 -","2","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0438","0.0304","","","0.0541","0.0557","","","","","","0.864","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508428","7.5009","0.0007","9.6296","0.0006","10.3322","0.0009","92.856","0.006","108.841","0.008","111.401","0.007","645.6","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H18 N6 O10 Zn2 -","- C28 H18 N6 O10 Zn2 -","- C28 H18 N6 O10 Zn2 -","1","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0732","0.0414","","","0.0717","0.0759","","","","","","0.866","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508429","10.8647","0.0004","34.1221","0.0013","15.9502","0.0007","90","","103.229","0.004","90","","5756.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 N6 O9.5 Zn -","- C26 H20 N6 O9.5 Zn -","- C208 H160 N48 O76 Zn8 -","8","2","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.11","0.0658","","","0.157","0.1817","","","","","","1.044","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4508430","10.7686","0.0004","13.3285","0.0005","12.0109","0.0004","90","","95.967","0.003","90","","1714.58","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H28 N6 O12 Zn2 -","- C34 H24 N6 O12 Zn2 -","- C68 H48 N12 O24 Zn4 -","2","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0367","0.0308","","","0.0714","0.0751","","","","","","1.027","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508431","10.8285","0.0002","16.4265","0.0004","25.1152","0.0006","90","","90","","90","","4467.35","0.17","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H38 N12 O14 Zn2 -","- C46 H34 N12 O14 Zn2 -","- C184 H136 N48 O56 Zn8 -","4","1","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.0421","0.035","","","0.072","0.0746","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508432","13.1229","0.0004","11.3044","0.0002","15.9681","0.0004","90","","109.751","0.003","90","","2229.45","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 Cd2 N12 O12 -","- C46 H34 Cd2 N12 O12 -","- C92 H68 Cd4 N24 O24 -","2","0.5","","Yang, Yan; Du, Peng; Liu, Ying-Ying; Ma, Jian-Fang","A Series of Coordination Polymers Constructed by Flexible 4-Substituted Bis(1,2,4-triazole) Ligands and Polycarboxylate Anions: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2013","13","11","4781","","10.1021/cg400934z","","","0.71073","MoKα","","0.03","0.0244","","","0.057","0.0607","","","","","","1.055","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508433","3.8035","0.0004","5.8716","0.0005","22.123","0.002","90","","91.26","0.007","90","","493.95","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.093","0.0567","","","0.1427","0.1605","","","","","","1.06","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508434","7.1516","0.0006","5.858","0.0005","12.2714","0.001","90","","108.672","0.005","90","","487.04","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.0471","0.04","","","0.11","0.1164","","","","","","1.037","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508435","9.779","0.002","3.735","0.0007","13.188","0.003","90","","95.492","0.009","90","","479.47","0.17","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(2-fluorophenyl)diazene","","- C12 H8 F2 N2 -","- C12 H8 F2 N2 -","- C24 H16 F4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.06","0.0386","","","0.0846","0.0943","","","","","","1.048","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508436","9.7663","0.001","4.672","0.0005","11.4452","0.0013","90","","91.138","0.007","90","","522.12","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0291","0.0269","","","0.0655","0.0685","","","","","","1.075","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508437","12.7716","0.0012","3.8032","0.0004","11.6316","0.0011","90","","105.903","0.002","90","","543.36","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MOKα","","0.0299","0.0273","","","0.0689","0.0704","","","","","","1.069","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508438","11.4948","0.001","3.8134","0.0003","13.521","0.0011","90","","113.889","0.002","90","","541.91","0.08","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(2-chlorophenyl)diazene","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0322","0.0272","","","0.0732","0.0768","","","","","","1.073","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508439","10.0896","0.0019","4.7532","0.001","11.622","0.002","90","","91.951","0.004","90","","557.04","0.18","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(4-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0227","0.0214","","","0.0568","0.0575","","","","","","1.093","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508440","10.9225","0.0008","4.4318","0.0003","11.9113","0.0009","90","","98.145","0.003","90","","570.77","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-bis(3-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C24 H16 Br4 N4 -","2","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0282","0.0235","","","0.0567","0.0585","","","","","","1.033","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508441","21.7149","0.001","3.9697","0.0002","13.7591","0.0007","90","","105.101","0.003","90","","1145.1","0.1","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(E)-bis(2-bromophenyl)diazene","","- C12 H8 Br2 N2 -","- C12 H8 Br2 N2 -","- C48 H32 Br8 N8 -","4","0.5","","Karanam, Maheswararao; Choudhury, Angshuman Roy","Study of Halogen-Mediated Weak Interactions in a Series of Halogen-Substituted Azobenzenes","Crystal Growth & Design","2013","13","11","4803","","10.1021/cg400967k","","","0.71073","MoKα","","0.0234","0.0218","","","0.0599","0.0613","","","","","","1.061","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508442","10.895","0.002","13.052","0.003","13.536","0.003","90","","95.74","0.03","90","","1915.2","0.7","170","2","170","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 N2 O7 Zn -","- C16 H22 N2 O7 Zn -","- C64 H88 N8 O28 Zn4 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.0381","0.0305","","","0.0805","0.0833","","","","","","1.082","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508443","8.522","0.0017","9.091","0.0018","11.361","0.002","91.44","0.03","110.86","0.03","98.38","0.03","810.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N2 O5 Zn -","- C16 H14 N2 O5 Zn -","- C32 H28 N4 O10 Zn2 -","2","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.1685","0.0796","","","0.1651","0.186","","","","","","0.808","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508444","11.025","0.002","14.176","0.003","16.191","0.003","90","","95.5","0.03","90","","2518.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O10 Zn2 -","- C22 H28 N2 O10 Zn2 -","- C88 H112 N8 O40 Zn8 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.0824","0.0621","","","0.1836","0.2018","","","","","","1.049","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508445","10.5081","0.0009","16.6714","0.0014","12.296","0.001","90","","90","","90","","2154.1","0.3","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C18 H22 N2 O5 Zn -","- C18 H22 N2 O5 Zn -","- C72 H88 N8 O20 Zn4 -","4","0.5","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.081","0.0653","","","0.1855","0.1979","","","","","","1.032","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508446","16.486","0.003","14.244","0.003","16.667","0.003","90","","99.74","0.03","90","","3857.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 N4 O12 Zn2 -","- C36 H40 N4 O12 Zn2 -","- C144 H160 N16 O48 Zn8 -","4","1","","Hwang, In Hong; Kim, Ha-Yeong; Lee, Myoung Mi; Na, Yu Jeong; Kim, Jin Hoon; Kim, Hyun-Chul; Kim, Cheal; Huh, Seong; Kim, Youngmee; Kim, Sung-Jin","Zn-MOFs Containing Flexible α,ω-Alkane (or Alkene)-Dicarboxylates and 1,2-Bis(4-pyridyl)ethane Ligands: CO2Sorption and Photoluminescence","Crystal Growth & Design","2013","13","11","4815","","10.1021/cg4009703","","","0.71073","MoKα","","0.1585","0.0586","","","0.1314","0.1662","","","","","","0.993","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508447","17.764","0.003","17.764","0.003","15.355","0.003","90","","90","","90","","4845.4","1.5","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C18 H16 Ho2 O12 -","- C18 H16 Ho2 O12 -","- C144 H128 Ho16 O96 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","1.54184","CuKα","","0.0681","0.0587","","","0.1316","0.1347","","","","","","1.131","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508448","8.3626","0.0012","12.394","0.0018","12.8469","0.0018","61.598","0.002","86.515","0.002","89.95","0.002","1168.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O14 Pr2 -","- C18 H24 O14 Pr2 -","- C36 H48 O28 Pr4 -","2","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.71073","MoKα","","0.083","0.0632","","","0.1518","0.1645","","","","","","1.177","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508449","8.222","0.0016","12.342","0.003","12.768","0.003","117.5","0.03","93.64","0.03","90.02","0.03","1146.3","0.5","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H26 O14 Sm2 -","- C18 H26 O14 Sm2 -","- C36 H52 O28 Sm4 -","2","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.7378","synchrotron","","0.0902","0.0853","","","0.2485","0.2553","","","","","","1.063","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508450","22.602","0.003","12.394","0.0018","8.3626","0.0012","90","","93.935","0.003","90","","2337.1","0.6","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 O7 Pr -","- C10 O7 Pr -","- C80 O56 Pr8 -","8","1","","Gomez, Germ E.; Bernini, Mar C.; Brusau, Elena V.; Narda, Griselda E.; Massad, Walter A.; Labrador, Ana","Two Sets of Metal Organic Frameworks along the Lanthanide Series Constructed by 2,3-Dimethylsuccinate: Structures, Topologies, and Strong Emission without Ligand Sensitization","Crystal Growth & Design","2013","13","12","5249","","10.1021/cg401006d","","","0.71073","MoKα","","0.2536","0.201","","","0.6402","0.6869","","","","","","27.554","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508451","7.2123","0.0005","24.0547","0.0018","11.7186","0.0008","90","","90.042","0.002","90","","2033.1","0.2","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Co3 N18 O7 W2 -","- C30 H25.8 Co3 N18 O6.7 W2 -","- C60 H51.6 Co6 N36 O13.4 W4 -","2","1","","Komori-Orisaku, Keiko; Imoto, Kenta; Koide, Yoshihiro; Ohkoshi, Shin-ichi","Mixed-Valence Cobalt(II/III)‒Octacyanidotungstate(IV/V) Ferromagnet","Crystal Growth & Design","2013","13","12","5267","","10.1021/cg401011d","","","0.75","synchrotron","","0.1393","0.0932","","","0.2255","0.2858","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508452","7.5683","0.0008","15.1093","0.0008","9.1624","0.0006","90","","104.419","0.009","90","","1014.73","0.14","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 La N9 O11 -","- C14 H14 La N9 O11 -","- C28 H28 La2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0312","0.0279","","","0.06","0.0618","","","","","","1.047","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508453","7.5429","0.0005","15.1009","0.0008","9.1529","0.0005","90","","104.527","0.006","90","","1009.23","0.11","291","2","291","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H14 Ce N9 O11 -","- C14 H14 Ce N9 O11 -","- C28 H28 Ce2 N18 O22 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0332","0.0293","","","0.0597","0.0618","","","","","","1.018","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508454","6.8998","0.0014","9.2699","0.0019","13.549","0.003","90","","92.58","0.03","90","","865.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N8 O8 Pb -","- C14 H14 N8 O8 Pb -","- C28 H28 N16 O16 Pb2 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0385","0.0255","","","0.0558","0.0616","","","","","","1.015","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508455","7.201","0.008","9.044","0.002","13.816","0.005","90","","95.04","0.05","90","","896.3","1.1","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cd N8 O8 -","- C14 H10 Cd N8 O8 -","- C28 H20 Cd2 N16 O16 -","2","0.5","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.1389","0.07","","","0.1555","0.2065","","","","","","0.949","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508456","9.5712","0.0019","10.701","0.002","8.8631","0.0018","90","","111.14","0.03","90","","846.7","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 Cd N4 O3 -","- C7 H4 Cd N4 O3 -","- C28 H16 Cd4 N16 O12 -","4","1","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0851","0.0773","","","0.2039","0.2108","","","","","","1.056","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508457","9.2545","0.0014","10.1923","0.001","8.8925","0.0011","90","","111.412","0.016","90","","780.89","0.19","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N4 O3 Zn -","- C7 H4 N4 O3 Zn -","- C28 H16 N16 O12 Zn4 -","4","1","","Yuan, Xiaoju; Zhang, Xiaoxia; Zhao, Hong; Liu, Lina; Wu, Benlai","Syntheses and Properties of One‒Three-Dimensional Coordination Polymers Constructed by Metallohelicates of Purin-Containing Carboxylate","Crystal Growth & Design","2013","13","11","4859","","10.1021/cg401022z","","","0.71073","MoKα","","0.0735","0.0614","","","0.17","0.1795","","","","","","1.123","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508458","7.8256","0.0004","10.0204","0.0005","20.8235","0.0009","90","","90.102","0.002","90","","1632.89","0.14","288","2","288","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H12 Cd N2 O6 -","- C16 H12 Cd N2 O6 -","- C64 H48 Cd4 N8 O24 -","4","2","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0335","0.0251","","","0.0493","0.0517","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508459","9.9478","0.0003","10.9061","0.0003","18.6373","0.0006","90","","103.236","0.001","90","","1968.28","0.1","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Cd2 N O15 -","- C14 H14 Cd2 N O15 -","- C56 H56 Cd8 N4 O60 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0342","0.0243","","","0.0486","0.0522","","","","","","1.028","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508460","9.9344","0.0006","11.6032","0.0006","16.464","0.001","76.643","0.003","82.486","0.003","75.074","0.002","1779.05","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd2 N4 O13 -","- C34 H28 Cd2 N4 O13 -","- C68 H56 Cd4 N8 O26 -","2","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0538","0.037","","","0.0754","0.0803","","","","","","1.098","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508461","9.8908","0.0007","14.3305","0.001","21.8335","0.0014","90","","95.183","0.002","90","","3082","0.4","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 Cd2 N3 O13 -","- C30 H23 Cd2 N3 O13 -","- C120 H92 Cd8 N12 O52 -","4","1","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0582","0.0418","","","0.0871","0.0912","","","","","","1.117","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508462","10.1306","0.0004","10.1685","0.0004","11.9873","0.0005","83.831","0.002","78.767","0.002","81.005","0.002","1192.51","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cd3 N4 O24 -","- C48 H36 Cd3 N4 O24 -","- C48 H36 Cd3 N4 O24 -","1","0.5","","Sen, Rupam; Mal, Dasarath; Brandão, Paula; Ferreira, Rute A. S.; Lin, Zhi","Cadmium‒Furandicarboxylate Coordination Polymers Prepared with Different Types of Pyridyl Linkers: Synthesis, Divergent Dimensionalities, and Luminescence Study","Crystal Growth & Design","2013","13","12","5272","","10.1021/cg401036e","","","0.71073","MoKα","","0.0245","0.0207","","","0.0485","0.0502","","","","","","1.049","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508463","6.8557","0.0004","10.49","0.0006","19.7921","0.0013","90","","96.419","0.004","90","","1414.45","0.15","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Mn N2 O7 V2 -","- C10 H10 Mn N2 O7 V2 -","- C40 H40 Mn4 N8 O28 V8 -","4","1","","Luo, Lan; Maggard, Paul A.","Effect of Ligand Coordination on the Structures and Visible-Light Photocatalytic Activity of Manganese Vanadate Hybrids","Crystal Growth & Design","2013","13","12","5282","","10.1021/cg401062f","","","0.71073","MoKα","","0.0871","0.0794","","","0.1706","0.1749","","","","","","1.199","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508464","3.9273","0.0001","28.2318","0.0006","11.0309","0.0002","90","","94.891","0.002","90","","1218.59","0.05","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","CppOMe","4-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","0.71073","MoKα","","0.0483","0.0416","","","0.1106","0.1144","","","","","","1.461","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508465","11.0435","0.0002","12.1882","0.0002","9.1066","0.0002","90","","99.637","0.002","90","","1208.45","0.04","294","2","294","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpmOMe","3-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0579","0.046","","","0.1214","0.1295","","","","","","1.036","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508466","12.9035","0.0004","12.2505","0.0004","7.5124","0.0003","90","","105.507","0.004","90","","1144.29","0.07","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CpoOMe","2-methoxyphenyl-pyridin-4-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0933","0.048","","","0.0884","0.1035","","","","","","0.938","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508467","5.8643","0.0001","7.2657","0.0001","28.2073","0.0006","90","","90","","90","","1201.86","0.04","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","CmpOMe","4-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0303","0.0278","","","0.0713","0.0736","","","","","","1.099","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508468","30.072","0.0007","30.072","0.0007","7.037","0.0002","90","","90","","120","","5511.2","0.2","294","2","294","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","CmmOMe","3-methoxyphenyl-pyridin-3-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C234 H216 N36 O54 -","18","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0333","0.0311","","","0.0797","0.0817","","","","","","1.066","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508469","3.9387","0.0003","14.3302","0.0011","20.6668","0.0018","90","","90.517","0.008","90","","1166.44","0.16","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CopOMe","4-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.0552","0.0433","","","0.1081","0.1173","","","","","","1.033","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508470","5.0984","0.0004","10.4111","0.0009","12.2585","0.0011","107.342","0.008","101.655","0.007","93.337","0.007","603.4","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","ComOMe","3-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","x-ray","0.71073","MoKα","","0.1339","0.0584","","","0.0878","0.1145","","","","","","0.955","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508471","7.248","0.0008","7.5279","0.0008","11.8142","0.0014","92.36","0.009","96.283","0.01","115.193","0.011","577.02","0.13","294","2","294","2","","","","","","","","4","P -1","-P 1","2","CooOMe","2-methoxyphenyl-pyridin-2-ylcarbamate","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C26 H24 N4 O6 -","2","1","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.0331","0.0314","","","0.0866","0.0883","","","","","","1.091","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508472","54.929","0.004","54.929","0.004","8.6324","0.0006","90","","90","","120","","22556","3","294","2","294","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C105 H97 N16 O24 -","- C105 H97 N16 O24 -","- C945 H873 N144 O216 -","9","0.5","","Mocilac, Pavle; Gallagher, John F.","The First Phenyl-N-pyridinylcarbamate Structures: Structural and Conformational Analysis of Nine Methoxyphenyl-N-pyridinylcarbamates","Crystal Growth & Design","2013","13","12","5295","","10.1021/cg4010888","","","1.54184","CuKα","","0.1146","0.0942","","","0.2203","0.2307","","","","","","1.146","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508473","14.6235","0.0012","12.2856","0.0011","14.1355","0.0014","90","","106.068","0.013","90","","2440.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N4 O10 Zn2 -","- C20 H20 N4 O10 Zn2 -","- C80 H80 N16 O40 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1157","1.4053","","","","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508474","14.2107","0.0015","12.18","0.0016","14.2834","0.0012","90","","105.093","0.011","90","","2387","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13.88 N3 O9.44 Zn2 -","- C17 H13 N3 O9.441 Zn2 -","- C68 H52 N12 O37.764 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1011","1.5122","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508475","16.4202","0.0012","12.0913","0.0017","11.5641","0.0016","90","","106.261","0.017","90","","2204.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O11 Zn2 -","- C17 H17 N3 O11 Zn2 -","- C68 H68 N12 O44 Zn8 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1011","1.5122","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508476","11.4637","0.0012","11.8882","0.0014","7.1062","0.0018","104.23","0.019","90.255","0.011","107.323","0.017","893","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","tetrakis(μ~2~-Isocinchomeronate-N,O,O')-deca-aqua-tetra-zinc(ii)","tetrakis(μ~2~-Pyridine-2,5-dicarboxylato-N,O,O')-deca-aqua-tetra-zinc(ii)","","- C28 H32 N4 O26 Zn4 -","- C28 H32 N4 O26 Zn4 -","- C28 H32 N4 O26 Zn4 -","1","0.5","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1157","1.4053","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508477","9.5951","0.0018","31.449","0.017","8.4876","0.0019","90","","115.659","0.016","90","","2308.6","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(pyridine-2-carboxylato-5-carboxylic acid-N,O)- bis(N,N-dimethylformamide-O)-zinc(II)","","- C20 H22 N4 O10 Zn -","- C20 H22 N4 O10 Zn -","- C80 H88 N16 O40 Zn4 -","4","1","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0587","2.4725","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508478","17.9666","0.0009","7.1635","0.0012","12.5582","0.0011","90","","110.958","0.009","90","","1509.4","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Aquabis(pyridine-2-carboxylato-5-carboxylic acid-N,O)-zinc(II)","","- C14 H10 N2 O9 Zn -","- C14 H10 N2 O9 Zn -","- C56 H40 N8 O36 Zn4 -","4","0.5","","Isaeva, Vera I.; Belyaeva, Elena V.; Fitch, Andrew N.; Chernyshev, Vladimir V.; Klyamkin, Semen N.; Kustov, Leonid M.","Synthesis and Structural Characterization of a Series of Novel Zn(II)-based MOFs with Pyridine-2,5-dicarboxylate Linkers","Crystal Growth & Design","2013","13","12","5305","","10.1021/cg401106z","powder diffraction","","0.39981","synchrotron","","","","","","","","","0.1235","1.266","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508479","10.7389","0.0018","19.612","0.003","23.441","0.004","109.829","0.002","91.093","0.002","96.175","0.002","4609.1","1.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C192 H76 Cl56 Fe3 N26 P4 -","- C192 H76 Cl56 Fe3 N26 P4 -","- C192 H76 Cl56 Fe3 N26 P4 -","1","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.1997","0.0687","","","0.0923","0.1107","","","","","","0.938","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508480","5.0706","0.0002","21.0079","0.001","29.7452","0.0014","90","","91.395","0.001","90","","3167.6","0.2","90","1","90","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H30 Cl16 Fe N9 P2 -","- C68 H30 Cl16 Fe N9 P2 -","- C136 H60 Cl32 Fe2 N18 P4 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.0472","0.037","","","0.0875","0.0929","","","","","","1.025","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508481","5.0842","0.0003","21.0231","0.0014","29.8397","0.0019","90","","91.354","0.001","90","","3188.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H30 Cl16 Fe N9 P2 -","- C68 H30 Cl16 Fe N9 P2 -","- C136 H60 Cl32 Fe2 N18 P4 -","2","0.5","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.0632","0.0422","","","0.0936","0.1038","","","","","","1.026","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508482","7.722","0.0006","9.1477","0.0007","15.4738","0.0012","90","","93.462","0.002","90","","1091.05","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 Na2 O14 Rh2 -","- C10 H12 N2 Na2 O14 Rh2 -","- C20 H24 N4 Na4 O28 Rh4 -","2","0.5","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.0422","0.0297","","","0.0727","0.0802","","","","","","1.052","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508483","8.3851","0.0002","12.1694","0.0003","15.5635","0.0004","90","","105.263","0.001","90","","1532.11","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","P132Rh","","","- C9 H12 N Na O10 Rh2 -","- C9 H12 N Na O10 Rh2 -","- C36 H48 N4 Na4 O40 Rh8 -","4","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","","","0.0546","0.0301","","","0.0625","0.0707","","","","","","1","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508484","12.375","0.004","13.372","0.003","15.74","0.003","97.41","0.02","110.01","0.03","102.37","0.02","2331.8","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 I2 K2 O9 Rh2 -","- C12 H20 I2 K2 O9 Rh2 -","- C48 H80 I8 K8 O36 Rh8 -","4","2","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.1003","0.0569","","","0.1498","0.1833","","","","","","0.997","","","","has coordinates","187017","2020-10-21","18:00:00",""
"4508485","12.5875","0.001","12.7015","0.001","15.812","0.0015","66.75","0.003","72.652","0.004","75.657","0.003","2192.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","RhBr","","","- C24 H36 Br4 K4 O16 Rh4 -","- C24 H36 Br4 K4 O16 Rh4 -","- C48 H72 Br8 K8 O32 Rh8 -","2","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","","","0.0962","0.0586","","","0.1617","0.1823","","","","","","1.001","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508486","13.2906","0.0014","13.844","0.002","16.453","0.002","97.035","0.008","108.809","0.01","102.831","0.011","2731.6","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H60 Br K O26 Rh6 -","- C36 H60 Br K O26 Rh6 -","- C72 H120 Br2 K2 O52 Rh12 -","2","1","","Amo-Ochoa, Pilar; Jiménez-Aparicio, Reyes; Perles, Josefina; Torres, M. Rosario; Gennari, Marcello; Zamora, Félix","Structural Diversity in Paddlewheel Dirhodium(II) Compounds through Ionic Interactions: Electronic and Redox Properties","Crystal Growth & Design","2013","13","11","4977","","10.1021/cg4011532","","","0.71073","MoKα","","0.0503","0.032","","","0.0754","0.0875","","","","","","0.997","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508487","18.6118","0.0015","34.059","0.003","37.687","0.003","67.605","0.002","87.377","0.002","75.497","0.002","21351","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C112.75 H139 N20 O10.75 -","- C112.75 H108 N20 O10.75 -","- C902 H864 N160 O86 -","8","4","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","","","0.71073","MoKα","","0.1543","0.091","","","0.2262","0.2599","","","","","","1.112","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508488","25.5517","0.0015","12.7178","0.0007","26.1062","0.0015","90","","93.196","0.002","90","","8470.3","0.8","100","2","100","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C196 H196 N20 O12 -","- C195.5 H156 N20 O10 -","- C391 H312 N40 O20 -","2","0.5","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","","","0.71073","MoKα","","0.1181","0.086","","","0.2275","0.2517","","","","","","1.144","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508489","22.33972","0.00017","13.38025","0.00016","27.06738","0.0003","90","","91.1243","0.00079","90","","8089.18","0.15","363","","298","","","","","","","","","3","P 1 2/n 1","-P 2yac","13","CC12","","","- C180 H156 N20 -","- C180 H156 N20 -","- C360 H312 N40 -","2","0.5","","Briggs, Michael E.; Jelfs, Kim E.; Chong, Samantha Y.; Lester, Catherine; Schmidtmann, Marc; Adams, Dave J.; Cooper, Andrew I.","Shape Prediction for Supramolecular Organic Nanostructures: [4 + 4] Macrocyclic Tetrapods","Crystal Growth & Design","2013","13","11","4993","","10.1021/cg401171v","powder diffraction","","0.825556","synchrotron","","0.016","","","","","","","","1.88","","","","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508490","28.18","0.002","18.404","0.0014","32.044","0.002","90","","112.174","0.001","90","","15389.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H24 Cu6 N6 O35.56 -","- C54 H24 Cu6 N6 O35.565 -","- C216 H96 Cu24 N24 O142.26 -","4","1","","Wang, Zhaoxu; Zheng, Baishu; Liu, Heting; Lin, Xiu; Yu, Xianyong; Yi, Pinggui; Yun, Ruirui","High-Capacity Gas Storage by a Microporous Oxalamide-Functionalized NbO-Type Metal‒Organic Framework","Crystal Growth & Design","2013","13","11","5001","","10.1021/cg401180r","","","0.71073","MoKα","","0.0921","0.0675","","","0.184","0.1963","","","","","","1.001","","","","has coordinates,has disorder","179620","2020-10-21","18:00:00",""
"4508491","12.8344","0.0004","10.3729","0.0004","17.5387","0.0006","90","","93.849","0.002","90","","2329.66","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Co N6 O5 -","- C25 H20 Co N6 O5 -","- C100 H80 Co4 N24 O20 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0698","0.0447","","","0.1211","0.1357","","","","","","1.016","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508492","8.1702","0.0004","15.7344","0.0013","22.5501","0.0015","91.459","0.006","93.38","0.005","93.366","0.005","2887.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H50 Co3 N12 O15 -","- C60 H50 Co3 N12 O15 -","- C120 H100 Co6 N24 O30 -","2","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.1718","0.0775","","","0.1597","0.217","","","","","","0.969","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508493","17.2061","0.0008","16.2099","0.0007","34.9123","0.0016","90","","94.604","0.003","90","","9705.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C95 H76 Co5 N18 O30 -","- C95 H76 Co5 N18 O30 -","- C380 H304 Co20 N72 O120 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.249","0.0789","","","0.1655","0.2072","","","","","","0.982","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508494","21.534","0.002","13.111","0.0014","21.387","0.002","90","","97.236","0.005","90","","5990.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 N12 O16 Zn3 -","- C60 H54 N12 O16 Zn3 -","- C240 H216 N48 O64 Zn12 -","4","1","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0692","0.0423","","","0.1117","0.1285","","","","","","1.054","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508495","8.5478","0.0004","18.0515","0.0007","16.6294","0.0006","90","","98.933","0.002","90","","2534.8","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Mn N12 O14 -","- C50 H54 Mn N12 O14 -","- C100 H108 Mn2 N24 O28 -","2","0.5","","Mukherjee, Sandip; Samanta, Dipak; Mukherjee, Partha Sarathi","New Structural Topologies in a Series of 3d Metal Complexes with Isomeric Phenylenediacetates and 1,3,5-Tris(1-imidazolyl)benzene Ligand: Syntheses, Structures, and Magnetic and Luminescence Properties","Crystal Growth & Design","2013","13","12","5335","","10.1021/cg4011967","","","0.71073","MoKα","","0.0704","0.0489","","","0.1212","0.1329","","","","","","1.024","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508496","30.739","0.005","11.1193","0.0017","16.729","0.003","90","","91.04","0.002","90","","5717","1.6","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 N6 O10 Zn2 -","- C60 H48 N6 O10 Zn2 -","- C240 H192 N24 O40 Zn8 -","4","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0626","0.0539","","","0.1374","0.1389","","","","","","1.057","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508497","11.4023","0.001","13.7749","0.0013","15.7837","0.0014","105.578","0.002","105.825","0.002","92.342","0.002","2280","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H28 N3 O6 S Zn -","- C42 H28 N3 O6 S Zn -","- C84 H56 N6 O12 S2 Zn2 -","2","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0682","0.0542","","","0.1436","0.1495","","","","","","0.985","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508498","12.189","0.002","13.874","0.002","17.24","0.003","77.633","0.003","73.519","0.003","72.711","0.003","2642.4","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H28 N3 O5 Zn -","- C42 H28 N3 O5 Zn -","- C84 H56 N6 O10 Zn2 -","2","1","","Qin, Ling; Zhang, Mingdao; Yang, Qingxiang; Li, Yizhi; Zheng, Hegen","Three 2D/2D →2D or 3D Coordination Polymers: Parallel Stacked, Interpenetration, and Polycatenated","Crystal Growth & Design","2013","13","11","5045","","10.1021/cg401207s","","","0.71073","MoKα","","0.0904","0.0512","","","0.1087","0.1135","","","","","","1.001","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4508499","14.6755","0.0014","17.0604","0.0014","20.1262","0.0018","103.72","0.005","94.693","0.006","92.822","0.005","4866.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Mn4 N4 O28 -","- C108 H84 Mn4 N4 O28 -","- C216 H168 Mn8 N8 O56 -","2","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1534","0.0577","","","0.1281","0.1677","","","","","","0.989","","","","has coordinates","179620","2020-10-21","18:00:00",""
"4508500","12.3961","0.0006","21.0059","0.0011","22.8699","0.0011","90","","90","","90","","5955.1","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C68 H52 Cu2 N8 O13 -","- C68 H52 Cu2 N8 O13 -","- C272 H208 Cu8 N32 O52 -","4","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0588","0.0437","","","0.124","0.141","","","","","","1.048","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508501","8.001","0.003","10.6","0.004","28.861","0.01","90","","103.98","0.02","90","","2375.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N O6 -","- C27 H20 Cu N O6 -","- C108 H80 Cu4 N4 O24 -","4","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0744","0.0516","","","0.1139","0.1217","","","","","","1.134","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508502","13.475","0.005","12.797","0.005","17.276","0.006","90","","110.072","0.004","90","","2798.1","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33.33 N2.67 O10.67 Zn2 -","- C44 H33.3333 N2.66667 O10.6667 Zn2 -","- C132 H100 N8 O32 Zn6 -","3","0.75","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0399","0.0298","","","0.0751","0.0803","","","","","","1.028","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508503","13.9742","0.0012","15.7792","0.0014","14.0779","0.0011","90","","116.132","0.005","90","","2786.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H48 N4 O13 Zn2 -","- C64 H48 N4 O13 Zn2 -","- C128 H96 N8 O26 Zn4 -","2","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1481","0.095","","","0.2558","0.2757","","","","","","1.637","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508504","15.436","0.008","17.511","0.009","20.779","0.011","84.825","0.006","72.13","0.006","83.602","0.007","5303","5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H93 Co4 N5 O25 -","- C117 H93 Co4 N5 O25 -","- C234 H186 Co8 N10 O50 -","2","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0938","0.0553","","","0.1352","0.1613","","","","","","1.016","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508505","8.855","0.004","17.267","0.008","34.25","0.015","90","","102.274","0.012","90","","5117","4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C112 H84 Co4 N8 O24 -","- C112 H84 Co4 N8 O25 -","- C224 H168 Co8 N16 O50 -","2","0.5","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.1067","0.073","","","0.1596","0.1719","","","","","","1.143","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508506","10.673","0.002","14.657","0.003","18.405","0.004","90","","104.337","0.002","90","","2789.5","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Co N2 O6 -","- C32 H24 Co N2 O6 -","- C128 H96 Co4 N8 O24 -","4","1","","Hu, Fei-Long; Wu, Wei; Liang, Peng; Gu, Yun-Qiong; Zhu, Li-Gang; Wei, Han; Lang, Jian-Ping","Construction of Entangled Coordination Polymers Based on M2+Ions, 4,4′-{[1,2-Phenylenebis(methylene)]bis(oxy)}dibenzoate and Different N-Donor Ligands","Crystal Growth & Design","2013","13","11","5050","","10.1021/cg401212s","","","0.71073","MoKα","","0.0601","0.0371","","","0.0823","0.0928","","","","","","1.015","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508507","4.9312","0.0003","19.156","0.0013","41.744","0.002","90","","90","","90","","3943.2","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C184 H184 F8 O16 -","8","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1407","0.0708","","","0.1083","0.1352","","","","","","1.087","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508508","16.2856","0.0006","8.4173","0.0004","14.5989","0.0006","90","","110.232","0.002","90","","1877.75","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0718","0.0435","","","0.0776","0.0896","","","","","","0.906","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508509","12.006","0.002","23.51","0.004","8.2207","0.0013","90","","90","","90","","2320.4","0.7","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H30 F N O3 -","- C26 H30 F N O3 -","- C104 H120 F4 N4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.2205","0.0962","","","0.1184","0.1474","","","","","","1.103","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508510","10.1891","0.0003","12.1484","0.0004","15.5039","0.0004","90","","92.864","0.003","90","","1916.7","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 F O2 -","- C23 H23 F O2 -","- C92 H92 F4 O8 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0721","0.052","","","0.0975","0.1084","","","","","","0.964","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508511","12.0576","0.0009","18.7488","0.0011","18.9159","0.0014","90","","90","","90","","4276.2","0.5","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H52 F2 O5 S -","- C48 H52 F2 O5 S -","- C192 H208 F8 O20 S4 -","4","0.5","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.0747","0.0508","","","0.0776","0.0851","","","","","","1.183","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508512","8.385","0.0002","29.3923","0.0008","19.4179","0.0006","90","","93.876","0.002","90","","4774.7","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 F O3 S -","- C25 H29 F O3 S -","- C200 H232 F8 O24 S8 -","8","2","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1326","0.0527","","","0.0835","0.0987","","","","","","1.008","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508513","9.0463","0.0005","9.5339","0.0006","13.1106","0.0008","98.763","0.004","103.988","0.004","96.474","0.004","1071.13","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C50 H54 F2 O6 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.065","0.0448","","","0.0815","0.0877","","","","","","1.084","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508514","10.1337","0.0009","11.882","0.0007","18.8355","0.0016","90","","104.929","0.008","90","","2191.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 F O3 -","- C25 H27 F O3 -","- C100 H108 F4 O12 -","4","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1862","0.0731","","","0.0814","0.1135","","","","","","1.124","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508515","10.3787","0.0009","13.598","0.0009","15.7691","0.0008","102.404","0.005","102.068","0.006","106.19","0.007","1999.7","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H45 Cs F2 O4 -","- C46 H45 Cs F2 O4 -","- C92 H90 Cs2 F4 O8 -","2","1","","Nath, Bhaskar; Baruah, Jubaraj B.","Polymorphs, Solvates, Polymorphs of Solvate and Cs±-π Interactions of Fluorine-Substitutedbis-Phenols","Crystal Growth & Design","2013","13","11","5146","","10.1021/cg401220x","","","0.71073","MoKα","","0.1215","0.0621","","","0.0652","0.0844","","","","","","1.023","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508516","7.9028","0.0013","13.74","0.003","13.9223","0.0016","61.675","0.014","86.564","0.013","84.041","0.017","1323.5","0.4","150","2","150","2","","","","","","","","6","P 1","P 1","1","","Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}- 2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate, hydrochloride salt","","- C27 H36 Cl F2 N O4 -","- C27 H35.5 Cl F2 N O4 -","- C54 H71 Cl2 F4 N2 O8 -","2","2","","Vogt, Frederick G.; Williams, Glenn R.; Johnson, Matthew N.; Copley, Royston C. B.","A Spectroscopic and Diffractometric Study of Polymorphism in Ethyl 3-{3-[((2R)-3-{[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]amino}-2-hydroxypropyl)oxy]-4,5-difluorophenyl}propanoate Hydrochloride","Crystal Growth & Design","2013","13","12","5353","","10.1021/cg401232g","","","0.71073","MoKα","","0.0952","0.0551","","","0.1051","0.1195","","","","","","1.024","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508517","30.2868","0.0007","30.2868","0.0007","64.156","0.003","90","","90","","90","","58850","3","120","2","120","2","","","","","","","","7","I -4 2 d","I -4 2bw","122","","","","- C96 H82 B4 Co5 F16 N38 O23 -","- C96 H82 B3 Co5 F12 N38 O23 -","- C1536 H1312 B48 Co80 F192 N608 O368 -","16","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.217","0.0991","","","0.2342","0.259","","","","","","1.328","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508518","12.9399","0.0003","12.9399","0.0003","16.4208","0.0006","90","","90","","90","","2749.52","0.13","120","2","120","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C60 H40 Cu4 N24 O4 -","- C60 H40 Cu4 N24 O4 -","- C120 H80 Cu8 N48 O8 -","2","0.25","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0623","","","","","","1.019","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508519","5.3664","0.0012","10.819","0.003","14.774","0.003","110.777","0.009","95.364","0.009","92.319","0.009","796","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N7 O -","- C17 H15 N7 O -","- C34 H30 N14 O2 -","2","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.1261","0.0759","","","0.1755","0.1974","","","","","","1.022","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508520","15.4729","0.0005","12.5273","0.0004","15.3919","0.0006","90","","119.113","0.001","90","","2606.54","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl2 Mn N8 O9 -","- C19 H18 Cl2 Mn N8 O9 -","- C76 H72 Cl8 Mn4 N32 O36 -","4","1","","Bala, Sukhen; Goswami, Arijit; Sengupta, Satirtha; Ganguly, Sumi; Bhattacharya, Sudeshna; Khanra, Sumit; Mondal, Raju","Metal-Directed Formation of Molecular Helix, Cage, and Grid Using an Asymmetric Pyridine-Pyrazole Based Bis-Chelating Ligand and Properties","Crystal Growth & Design","2013","13","11","5068","","10.1021/cg401236b","","","0.71073","MoKα","","0.0858","0.0567","","","0.1418","0.1582","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508521","10.8622","0.0005","11.5477","0.0006","18.5728","0.0009","77.413","0.002","73.814","0.001","67.829","0.002","2055.17","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 N2 Na O6 S -","- C11 H13 N2 Na O6 S -","- C66 H78 N12 Na6 O36 S6 -","6","3","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.072","0.0443","","","0.094","0.1055","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4508522","6.7694","0.0003","11.5358","0.0005","11.5612","0.0005","78.143","0.002","88.395","0.003","82.401","0.002","875.8","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 N4 Na2 O20 S2 -","- C22 H42 N4 Na2 O20 S2 -","- C22 H42 N4 Na2 O20 S2 -","1","0.5","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0791","0.0585","","","0.1402","0.1529","","","","","","1.037","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508523","6.4504","0.0002","14.9484","0.0004","19.9662","0.0005","90","","90","","90","","1925.2","0.09","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H24 N2 Na O9 S -","- C14 H24 N2 Na O9 S -","- C56 H96 N8 Na4 O36 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0606","0.0399","","","0.0898","0.0982","","","","","","1.017","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508524","5.4449","0.0002","7.9375","0.0003","16.8558","0.0006","90.626","0.006","90.884","0.003","105.495","0.004","701.84","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H13 K N2 O6 S -","- C11 H13 K N2 O6 S -","- C22 H26 K2 N4 O12 S2 -","2","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71073","MoKα","","0.0625","0.0549","","","0.1507","0.1576","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508525","5.9999","0.0002","17.7433","0.0009","15.7824","0.0007","90","","91.833","0.005","90","","1679.3","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 K N2 O6 S -","- C14 H17 K N2 O6 S -","- C56 H68 K4 N8 O24 S4 -","4","1","","Mahmudov, Kamran T.; Guedes da Silva, M. Fátima C.; Kirillov, Alexander M.; Kopylovich, Maximilian N.; Mizar, Archana; Pombeiro, Armando J. L.","Structural Versatility of Alkali Metal Coordination Polymers Driven by Arylhydrazones of β-Diketones","Crystal Growth & Design","2013","13","11","5076","","10.1021/cg401238h","","","0.71069","MoKα","","0.0563","0.0417","","","0.0986","0.1047","","","","","","1.037","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508526","11.2479","0.0004","14.1825","0.0006","15.5718","0.0006","90","","108.49","0.0011","90","","2355.83","0.16","290","1","290","1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25.5 H26 N O7 S -","- C25.5 H26 N O7 S -","- C102 H104 N4 O28 S4 -","4","2","","Kim, Ji-Soo; Jeong, Jae-Hyeok; Yun, Hoseop; Jazbinsek, Mojca; Kim, Jun Wan; Rotermund, Fabian; Kwon, O-Pil","Crystal Engineering of Acentric Styryl Quinolinium Crystals with Strongly Hydrogen-Bonded Phenolic Anions","Crystal Growth & Design","2013","13","11","5085","","10.1021/cg401261z","","","0.71073","MoKα","","0.1336","0.0526","","","0.1335","0.1814","","","","","","1.078","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508527","17.4536","0.0002","14.005","0.0004","10.2555","0.0005","90","","90","","90","","2506.83","0.14","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","α-naphthoxy-boronsubphthalocyanine","(1-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1298","0.0957","","","0.2025","0.2156","","","","","","1.155","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508528","17.1461","0.0008","13.9303","0.0004","10.3758","0.0004","90","","90","","90","","2478.26","0.17","150","1","150","1","","","","","","","","5","P n m a","-P 2ac 2n","62","β-naphthoxy-boronsubphthalocyanine","(2-naphthoxy)(subphthalocyaninato)boron","","- C34 H19 B N6 O -","- C34 H19 B N6 O -","- C136 H76 B4 N24 O4 -","4","0.5","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0673","0.0452","","","0.107","0.1186","","","","","","1.029","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508529","16.4833","0.0004","8.5514","0.0002","17.4722","0.0002","90","","101.009","0.0013","90","","2417.48","0.09","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","4-methoxyphenoxy-boronsubphthalocyanine","(4-methoxyphenoxy)(subphthalocyaninato) boron","","- C31 H19 B N6 O2 -","- C31 H19 B N6 O2 -","- C124 H76 B4 N24 O8 -","4","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.0632","0.0438","","","0.1086","0.1212","","","","","","1.041","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508530","11.5031","0.0014","19.732","0.002","13.1619","0.0016","90","","95.295","0.003","90","","2974.7","0.6","147","2","147","2","","","","","","","","6","P 1 c 1","P -2yc","7","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C34 H7 B F12 N6 O -","- C34 H7 B F12 N6 O -","- C136 H28 B4 F48 N24 O4 -","4","2","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.099","0.0719","","","0.1882","0.2084","","","","","","1.029","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508531","11.5833","0.0004","12.7133","0.0003","41.9519","0.0016","90","","90","","90","","6177.9","0.3","150","1","150","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","β-naphthoxy-dodecafluorosubphthalocyanine","(2-naphthoxy)(dodecafluorosubphthalocyaninato)boron","","- C37 H10 B F12 N6 O -","- C37 H10 B F12 N6 O -","- C296 H80 B8 F96 N48 O8 -","8","1","","Paton, Andrew S.; Morse, Graham E.; Lough, Alan J.; Bender, Timothy P.","Utilizing the π-Acidity of Boron Subphthalocyanine To Achieve Novel Solid-State Arrangements","Crystal Growth & Design","2013","13","12","5368","","10.1021/cg4012795","","","0.71073","MoKα","","0.1439","0.0646","","","0.152","0.2045","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508532","14.832","0.003","14.832","0.003","14.751","0.003","90","","90","","120","","2810.3","1","100","2","100","2","","","","","","","","4","P 32","P 32","145","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53 F O4 -","- C144 H159 F3 O12 -","3","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.082","0.056","","","0.1174","0.1287","","","","","","1.071","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508533","7.0769","0.0017","17.65","0.004","30.592","0.007","90","","90","","90","","3821.2","1.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 2","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-fluorobenzene","","- C48 H53 F O4 -","- C48 H53.001 F0.999 O4 -","- C192 H212.004 F3.996 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0632","0.0435","","","0.0932","0.1009","","","","","","1.052","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508534","7.0371","0.0011","17.64","0.003","31.045","0.005","90","","90","","90","","3853.8","1.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C48 H52 F2 O4 -","- C48 H52 F2 O4 -","- C192 H208 F8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0516","0.0395","","","0.0916","0.0978","","","","","","1.024","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508535","12.6657","0.00029","13.1555","0.0004","26.4441","0.0007","90","","90","","90","","4406.2","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Compound 3","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,2-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C208 H232 F8 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","x-ray","0.71073","MoKα","","0.0686","0.0558","","","0.1322","0.1407","","","","","","1.086","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508536","12.898","0.002","13.128","0.002","28.309","0.005","90","","97.773","0.002","90","","4749.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl]-1,4-difluorobenzene","","- C54 H66 F2 N2 O6 -","- C54 H66 F2 N2 O6 -","- C216 H264 F8 N8 O24 -","4","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.1158","0.0665","","","0.1609","0.1889","","","","","","1.026","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508537","13.0753","0.0008","12.7032","0.0008","13.5212","0.0008","90","","103.593","0.001","90","","2182.9","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","compound 4","2,5-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,4-difluorobenzene","","- C52 H58 F2 N2 O4 -","- C52 H58 F2 N2 O4 -","- C104 H116 F4 N4 O8 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.071","0.0479","","","0.0871","0.0964","","","","","","1.07","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508538","12.77","0.002","13.057","0.002","26.323","0.004","90","","90","","90","","4389","1.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17?-ethynyl]-1,2,4,5-tetrafluorobenzene","","- C52 H56 F4 N2 O4 -","- C52 H56 F4 N2 O4 -","- C208 H224 F16 N8 O16 -","4","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0603","0.0446","","","0.1103","0.1197","","","","","","1.023","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508539","17.3857","0.0019","19.968","0.002","22.353","0.002","90","","90","","90","","7760","1.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","compound 5","3,6-bis[3-methoxy-estra-1,3,5-(10)-trien-17a-ethynyl] -1,2,4,5-tetrafluorobenzene","","- C48 H50 F4 O4 -","- C48 H50 F4 O4 -","- C384 H400 F32 O32 -","8","2","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0559","0.0401","","","0.0924","0.1001","","","","","","1.066","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508540","11.866","0.005","7.956","0.003","19.122","0.008","90","","101.329","0.005","90","","1770.1","1.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","compound 6","","","- C42 H54 O6 -","- C42 H54 O6 -","- C84 H108 O12 -","2","1","","Rodríguez-Molina, Braulio; Ochoa, Ma. Eugenia; Romero, Margarita; Khan, Saeed I.; Farfán, Norberto; Santillan, Rosa; Garcia-Garibay, Miguel A.","Conformational Polymorphism and Isomorphism of Molecular Rotors with Fluoroaromatic Rotators and Mestranol Stators","Crystal Growth & Design","2013","13","11","5107","","10.1021/cg4012873","","","0.71073","MoKα","","0.0367","0.0312","","","0.0779","0.081","","","","","","1.094","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508541","8.5772","0.0002","8.5772","0.0002","25.7819","0.0007","90","","90","","90","","1896.73","0.08","304","","304","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C5 H9 F6 N2 P -","- C5 H9 F6 N2 P -","- C40 H72 F48 N16 P8 -","8","0.25","","Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko","Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships","Crystal Growth & Design","2013","13","12","5383","","10.1021/cg401293g","","","1.54178","CuKα","","0.061","0.0575","","","0.1901","0.2001","","","","","","1.121","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508542","8.533","0.0002","10.0546","0.0003","13.6646","0.0004","90","","106.105","0.001","90","","1126.36","0.05","173","","173","","","","","","","","","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","","Endo, Takatsugu; Masu, Hyuma; Fujii, Kozo; Morita, Takeshi; Seki, Hiroko; Sen, Sabyasachi; Nishikawa, Keiko","Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure‒Property Relationships","Crystal Growth & Design","2013","13","12","5383","","10.1021/cg401293g","","","1.54178","CuKα","","0.0409","0.0389","","","0.1118","0.1138","","","","","","1.095","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508543","26.3657","0.0009","26.3657","0.0009","26.3657","0.0009","90","","90","","90","","18328.1","1.1","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C18 H6 Cu3 O12 S12.5 -","- C18 H6 Cu3 O12 S7.56 -","- C288 H96 Cu48 O192 S120.96 -","16","0.0833333","","Wang, Ziqi; Li, Xiang; Cui, Yuanjing; Yang, Yu; Pan, Hongge; Wang, Zhiyu; Wu, Chuande; Chen, Banglin; Qian, Guodong","A Metal‒Organic Framework with Open Metal Sites for Enhanced Confinement of Sulfur and Lithium‒Sulfur Battery of Long Cycling Life","Crystal Growth & Design","2013","13","11","5116","","10.1021/cg401304x","","","0.71073","MoKα","","0.1156","0.0756","","","0.2165","0.2365","","","","","","1.224","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508544","14.1099","0.0003","17.4778","0.0003","5.3403","0.0002","90","","90","","90","","1316.97","0.06","123","2","123","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0686","0.0714","","","","","","1.047","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508545","7.6241","0.0003","9.5476","0.0004","17.8401","0.0007","90","","90","","90","","1298.61","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Cl N2 O -","- C15 H13 Cl N2 O -","- C60 H52 Cl4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0552","0.0454","","","0.0776","0.0813","","","","","","1.061","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508546","29.4803","0.0017","4.9462","0.0002","21.6558","0.0013","90","","119.462","0.008","90","","2749.4","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H15.5 Cl0.5 N2 O2.5 -","- C15 H15.5 Cl0.5 N2 O2.5 -","- C120 H124 Cl4 N16 O20 -","8","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","1.5418","CuKα","","0.0446","0.0368","","","0.097","0.1044","","","","","","1.041","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508547","20.2651","0.0009","5.8463","0.0003","23.8489","0.0009","90","","95.724","0.004","90","","2811.4","0.2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H16.6 Cl0.4 N O2.6 -","- C16 H16.596 Cl0.402 N O2.598 -","- C128 H132.768 Cl3.216 N8 O20.784 -","8","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.1077","0.0558","","","0.1047","0.1293","","","","","","1.061","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508548","5.3472","0.0002","10.3235","0.0003","49.6238","0.0017","90","","90","","90","","2739.32","0.16","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C120 H104 Br8 N16 O8 -","8","2","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0736","0.0589","","","0.0783","0.086","","","","","","1.11","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508549","7.812","0.0002","9.5016","0.0003","18.04","0.0007","90","","90","","90","","1339.05","0.08","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O -","- C15 H13 Br N2 O -","- C60 H52 Br4 N8 O4 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","0.71073","MoKα","","0.0462","0.0376","","","0.0702","0.0739","","","","","","1.042","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508550","5.0943","0.0011","11.11","0.002","26.065","0.005","90","","91.646","0.019","90","","1474.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O2 -","- C15 H15 Br N2 O2 -","- C60 H60 Br4 N8 O8 -","4","1","","Buist, Amanda R.; Kennedy, Alan R.; Shankland, Kenneth; Shankland, Norman; Spillman, Mark J.","Salt Forms of Amides: Protonation and Polymorphism of Carbamazepine and Cytenamide","Crystal Growth & Design","2013","13","11","5121","","10.1021/cg401341y","","","1.5418","CuKα","","0.1347","0.067","","","0.125","0.1624","","","","","","1.012","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508551","19.386129","0.000027","19.386129","","34.86739","0.00008","90","","90","","90","","13103.9","0.04","300","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 K15 Mo5 O15 -","- F15 K15 Mo5 O15 -","- F240 K240 Mo80 O240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508552","20.07484","0.00004","20.07484","","36.16937","0.00012","90","","90","","90","","14576.2","0.06","","","","","","","","","","","","4","I 41","I 4bw","80","","","","- F15 Mo5 O15 Rb15 -","- F15 Mo5 O15 Rb15 -","- F240 Mo80 O240 Rb240 -","16","2","","Fry, Allyson M.; Woodward, Patrick M.","Structures of α-K3MoO3F3and α-Rb3MoO3F3: Ferroelectricity from Anion Ordering and Noncooperative Octahedral Tilting","Crystal Growth & Design","2013","13","12","5404","","10.1021/cg401342q","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508553","12.543","0.003","6.6222","0.0016","22.218","0.005","90","","105.99","0.003","90","","1774.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Calcium Urate Hexahydrate","","","- C10 H18 Ca N8 O12 -","- C10 H18 Ca N8 O12 -","- C40 H72 Ca4 N32 O48 -","4","1","","Presores, Janeth B.; Cromer, Katherine E.; Capacci-Daniel, Christina; Swift, Jennifer A.","Calcium Urate Hexahydrate","Crystal Growth & Design","2013","13","12","5162","","10.1021/cg401356u","","","0.71073","MoKα","","0.112","0.0492","","","0.0884","0.1023","","","","","","0.915","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508554","8.273","0.005","28.875","0.005","18.694","0.005","90","0.005","95.048","0.005","90","0.005","4448","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H66 N3 O4 Sn2 -","- C43 H66 N3 O4 Sn2 -","- C172 H264 N12 O16 Sn8 -","4","1","","Chandrasekhar, Vadapalli; Mohapatra, Chandrajeet","2D-Coordination Polymer Containing Interconnected 82-Membered Organotin Macrocycles","Crystal Growth & Design","2013","13","11","4655","","10.1021/cg401363p","","","0.71069","MoKα","","0.0877","0.0556","","","0.1274","0.1768","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508555","11.3697","0.0006","15.0647","0.0007","17.648","0.0009","103.253","0.002","101.955","0.002","105.345","0.002","2719.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH269 Cd DDPrC[4] TMePhen","","","- C58 H70 Cd N4 O13 -","- C58 H64 Cd N4 O13 -","- C116 H128 Cd2 N8 O26 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.0565","0.0439","","","0.1027","0.1092","","","","","","1.057","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508556","19.5995","0.0009","28.7424","0.0012","20.4414","0.0009","90","","91.627","0.003","90","","11510.7","0.9","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","6","","","- C231 H251 Cd4 N13 O37 -","- C231 H251 Cd4 N13 O37 -","- C462 H502 Cd8 N26 O74 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1393","0.113","","","0.2668","0.2787","","","","","","1.82","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508557","17.4037","0.0006","18.8062","0.0007","21.2318","0.0007","89.389","0.002","73.509","0.002","65.333","0.002","6008.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","PCH667","","","- C234 H286 Cd4 N16 O54 -","- C222 H232 Cd4 N14 O38 -","- C222 H232 Cd4 N14 O38 -","1","0.5","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0821","0.0629","","","0.1913","0.2064","","","","","","1.013","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508558","17.7359","0.001","19.866","0.0015","21.1162","0.0012","79.62","0.005","74.012","0.003","63.599","0.003","6392","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","8 - PCH532 Cd A-DDBuC[4] TMEPhen","","","- C129 H175 Cd2 N11 O32 -","- C129 H157 Cd2 N11 O32 -","- C258 H314 Cd4 N22 O64 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.71073","MoKα","","0.1136","0.0873","","","0.2529","0.2811","","","","","","1.068","","","","has coordinates,has disorder","264242","2021-04-16","08:52:18",""
"4508559","15.8642","0.0004","15.8642","0.0004","42.9758","0.0015","90","","90","","90","","10815.8","0.5","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","PCH469","","","- C57 H65 Cd N5 O12 -","- C51 H42 Cd N3 O9 -","- C408 H336 Cd8 N24 O72 -","8","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Enhancing Strategies for the Assembly of Metal‒Organic Systems with Inherent Cavity-Containing Calix[4]arenes","Crystal Growth & Design","2013","13","12","5165","","10.1021/cg4013685","","","0.7749","synchrotron","","0.0687","0.0643","","","0.1764","0.1804","","","","","","1.048","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508560","15.39","0.03","9.709","0.015","8.871","0.013","90","","92.27","0.02","90","","1324","4","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C48 H36 F24 N12 -","4","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0604","","","","0.1846","","","","","","1.027","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508561","10.775","0.002","10.872","0.002","11.032","0.002","81.525","0.003","89.898","0.003","81.386","0.003","1263.5","0.4","283","","283","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C48 H36 F24 N12 -","4","2","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0636","","","","0.1771","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508562","10.8134","0.0015","15.288","0.002","15.328","0.002","86.723","0.002","89.963","0.002","78.969","0.002","2482.9","0.6","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","4","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0483","","","","0.1447","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508563","8.2744","0.0008","10.0481","0.0009","31.309","0.003","90","","90","","90","","2603.1","0.4","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F6 N3 -","- C12 H9 F6 N3 -","- C96 H72 F48 N24 -","8","1","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0486","","","","0.155","","","","","","1.055","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508564","11.56","0.003","7.4129","0.0017","15.161","0.004","90","","90","","90","","1299.2","0.6","296","","296","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H10 F6 N2 -","- C13 H10 F6 N2 -","- C52 H40 F24 N8 -","4","0.5","","Harada, Naomi; Karasawa, Satoru; Matsumoto, Taisuke; Koga, Noboru","Thermal Single Crystal to Single Crystal Transformation among Crystal Polymorphs in 2-Dimethylamino-5,7-bis(trifluoromethyl)-1,8-naphthyridine and in a 1-Quinoline Analogue","Crystal Growth & Design","2013","13","11","4705","","10.1021/cg401386b","","","0.71069","MoKα","","","0.0558","","","","0.173","","","","","","1.112","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508565","9.767","0.003","16.487","0.005","17.72","0.006","90","","95.112","0.005","90","","2842.1","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Eu N4 O10 -","- C32 H21 Eu N4 O10 -","- C128 H84 Eu4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0742","0.0566","","","0.1086","0.1197","","","","","","1.243","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508566","9.9742","0.0005","16.5215","0.0007","17.4335","0.0008","90","","94.691","0.004","90","","2863.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Gd N4 O10 -","- C32 H21 Gd N4 O10 -","- C128 H84 Gd4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0533","0.0354","","","0.0705","0.085","","","","","","1.01","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508567","9.978","0.002","16.448","0.004","17.116","0.004","90","","94.16","0.005","90","","2801.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Tb -","- C32 H21 N4 O10 Tb -","- C128 H84 N16 O40 Tb4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0504","0.0435","","","0.0696","0.0721","","","","","","1.161","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508568","10.029","0.003","16.49","0.004","17.307","0.004","90","","94.575","0.005","90","","2853.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Dy N4 O10 -","- C32 H21 Dy N4 O10 -","- C128 H84 Dy4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0559","0.0503","","","0.0741","0.076","","","","","","1.235","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508569","10.03","0.0005","16.4986","0.0007","17.3274","0.0009","90","","94.501","0.004","90","","2858.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Ho N4 O10 -","- C32 H21 Ho N4 O10 -","- C128 H84 Ho4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0359","0.0315","","","0.0724","0.0749","","","","","","1.117","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508570","10.0501","0.0009","16.4536","0.0013","17.0953","0.0014","90","","93.996","0.007","90","","2820","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 Er N4 O10 -","- C32 H21 Er N4 O10 -","- C128 H84 Er4 N16 O40 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0688","0.0574","","","0.1198","0.1254","","","","","","1.154","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508571","10.002","0.005","16.375","0.008","17.04","0.009","90","","94.053","0.007","90","","2784","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Tm -","- C32 H21 N4 O10 Tm -","- C128 H84 N16 O40 Tm4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.049","0.0412","","","0.0678","0.0706","","","","","","1.141","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508572","9.99","0.003","16.448","0.004","17.358","0.005","90","","94.361","0.004","90","","2843.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H21 N4 O10 Yb -","- C32 H21 N4 O10 Yb -","- C128 H84 N16 O40 Yb4 -","4","1","","Xu, Wentao; Zhou, Youfu; Huang, Decai; Xiong, Wei; Su, Mingyi; Wang, Kun; Han, Shuo; Hong, Maochun","Crystal Structure, Multiplex Photoluminescence, and Magnetic Properties of a Series of Lanthanide Coordination Polymers Based on Quinoline Carboxylate Ligand","Crystal Growth & Design","2013","13","12","5420","","10.1021/cg401391b","","","0.71073","MoKα","","0.0612","0.0486","","","0.0749","0.0796","","","","","","1.185","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508573","9.804","0.002","10.291","0.003","12.584","0.003","80.787","0.011","68.059","0.01","84.556","0.012","1161.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O4 Zn -","- C26 H28 N4 O4 Zn -","- C52 H56 N8 O8 Zn2 -","2","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0511","0.0497","","","0.1616","0.1631","","","","","","1.147","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508574","9.2841","0.0011","10.7513","0.0013","13.1913","0.0015","75.121","0.005","73.02","0.005","83.385","0.005","1215.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cd N4 O4 -","- C26 H28 Cd N4 O4 -","- C52 H56 Cd2 N8 O8 -","2","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0306","0.0303","","","0.0946","0.0948","","","","","","1.064","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508575","10.2678","0.0008","13.0131","0.001","15.9584","0.0011","90","","110.229","0.005","90","","2000.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C88 H72 N16 O16 Zn4 -","4","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0437","0.0357","","","0.1025","0.1084","","","","","","1.066","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508576","10.327","0.003","12.999","0.004","15.985","0.005","90","","110.367","0.019","90","","2011.7","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N4 O4 -","- C22 H18 Co N4 O4 -","- C88 H72 Co4 N16 O16 -","4","1","","Sanda, Suresh; Parshamoni, Srinivasulu; Adhikary, Amit; Konar, Sanjit","A Family of Metal‒Organic Frameworks Based on Carboxylates and a Neutral, Long, and Rigid Ligand: Their Structural Revelation, Magnetic, and Luminescent Property Study","Crystal Growth & Design","2013","13","12","5442","","10.1021/cg401403a","","","0.71073","MoKα","","0.0944","0.0909","","","0.2134","0.2161","","","","","","1.074","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508577","16.61","0.014","9.549","0.008","14.357","0.012","90","","112.545","0.012","90","","2103","3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.1417","0.0655","","","0.1754","0.212","","","","","","1.05","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508578","10.408","0.002","11.342","0.002","35.927","0.007","90","","90","","90","","4241.1","1.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C192 H232 N8 O24 -","8","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.2118","0.04","","","0.0644","0.09","","","","","","0.654","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508579","10.365","0.006","14.306","0.008","16.199","0.009","67.375","0.01","79.079","0.007","71.988","0.007","2102","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C96 H116 N4 O12 -","4","2","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.1496","0.0457","","","0.0983","0.1234","","","","","","0.791","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508580","5.9523","0.0008","11.8173","0.0018","15.072","0.002","79.253","0.003","84.287","0.002","75.924","0.002","1008.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O3 -","- C24 H29 N O3 -","- C48 H58 N2 O6 -","2","1","","Park, Yeojin; Lee, Jangmi; Lee, Sun Hye; Choi, Hoo Gyun; Mao, Chen; Kang, Sung Kwon; Choi, Sang-Eun; Lee, Eun Hee","Crystal Structures of Tetramorphic Forms of Donepezil and Energy/Temperature Phase Diagram via Direct Heat Capacity Measurements","Crystal Growth & Design","2013","13","12","5450","","10.1021/cg401405g","","","0.71073","MoKα","","0.0573","0.0439","","","0.1148","0.1221","","","","","","1.069","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508581","12.234","0.0003","7.0165","0.0002","26.8821","0.0006","90","","98.35","0.001","90","","2283.09","0.1","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H23 O3 P S -","- C29 H23 O3 P S -","- C116 H92 O12 P4 S4 -","4","1","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0481","0.0409","","","0.1035","0.111","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4508582","14.8206","0.0014","13.3595","0.0012","18.0157","0.0018","90","","101.297","0.003","90","","3497.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C50 H38 O10 S34 -","- C50 H38 O10 S34 -","- C100 H76 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0754","0.0652","","","0.1946","0.211","","","","","","1.061","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4508583","9.7713","0.0003","10.3882","0.0003","13.5829","0.0004","77.722","0.001","80.749","0.001","84.399","0.001","1326.81","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 O4 P S -","- C32 H28 O4 P S -","- C64 H56 O8 P2 S2 -","2","1","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.0396","0.0352","","","0.0919","0.0974","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4508584","16.998","0.0004","13.1085","0.0002","16.7578","0.0004","90","","106.666","0.002","90","","3577.09","0.14","15","2","15","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.116","0.0626","","","0.1651","0.1846","","","","","","0.967","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508585","17.0026","0.0004","13.1098","0.0002","16.7604","0.0004","90","","106.641","0.002","90","","3579.44","0.14","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1368","0.0617","","","0.1532","0.1757","","","","","","0.861","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508586","17.0277","0.0004","13.1266","0.0002","16.7777","0.0004","90","","106.468","0.002","90","","3596.25","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1132","0.0824","","","0.2475","0.2682","","","","","","1.125","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508587","17.0424","0.0004","13.1358","0.0002","16.7881","0.0004","90","","106.441","0.002","90","","3604.61","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1154","0.0812","","","0.2441","0.2679","","","","","","1.104","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508588","17.0782","0.0004","13.1485","0.0002","16.8083","0.0004","90","","106.501","0.002","90","","3618.9","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1142","0.0809","","","0.2445","0.2666","","","","","","1.099","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508589","17.1362","0.0005","13.1715","0.0003","16.8588","0.0005","90","","106.732","0.003","90","","3644.09","0.18","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1215","0.0767","","","0.2273","0.2532","","","","","","0.974","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508590","17.211","0.0006","13.1953","0.0003","16.9054","0.0006","90","","106.968","0.004","90","","3672.2","0.2","250","2","250","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1317","0.0782","","","0.2214","0.2506","","","","","","0.918","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508591","17.3172","0.0005","13.2234","0.0003","16.9505","0.0006","90","","107.315","0.003","90","","3705.6","0.2","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(ET)4 ABS 4H2O","","","- C54 H48 O10 S34 -","- C54 H40 O10 S34 -","- C108 H80 O20 S68 -","2","0.5","","Camerel, Franck; Le Helloco, Guillaume; Guizouarn, Thierry; Jeannin, Olivier; Fourmigué, Marc; Frąckowiak, Arkadiusz; Olejniczak, Iwona; Świetlik, Roman; Marino, Andrea; Collet, Eric; Toupet, Loic; Auban-Senzier, Pascale; Canadell, Enric","Correlation between Metal‒Insulator Transition and Hydrogen-Bonding Network in the Organic Metal δ-(BEDT-TTF)4[2,6-Anthracene-bis(sulfonate)]·(H2O)4","Crystal Growth & Design","2013","13","11","5135","","10.1021/cg401416h","","","0.71073","MoKα","","0.1357","0.0809","","","0.2382","0.2733","","","","","","0.873","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508592","18.1674","0.0001","18.1674","0.0001","18.1674","0.0001","90","","90","","90","","5996.23","0.06","100","2","100","2","","","","","","","","6","F m -3 m","-F 4 2 3","225","","","","- C36 H18 In N6 O12 Ru -","- C36 In N6 O12 Ru -","- C144 In4 N24 O48 Ru4 -","4","0.0208333","","Zhang, Shuquan; Han, Liang; Li, Lina; Cheng, Jing; Yuan, Daqiang; Luo, Junhua","A Highly Symmetric Metal‒Organic Framework Based on a Propeller-Like Ru-Organic Metalloligand for Photocatalysis and Explosives Detection","Crystal Growth & Design","2013","13","12","5466","","10.1021/cg401438j","","","1.54184","CuKα","","0.0742","0.0727","","","0.2373","0.2391","","","","","","1.236","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508593","4.7867","0.0007","8.0049","0.0011","6.9093","0.001","90","","109.003","0.002","90","","250.32","0.06","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- Cr Li O7 P2 -","- Cr Li O7 P2 -","- Cr2 Li2 O14 P4 -","2","1","","Pachoud, Elise; Zhang, Weiguo; Tapp, Joshua; Liang, Kao-Chen; Lorenz, Bernd; Chu, Paul C. W.; Halasyamani, P. Shiv","Top-Seeded Single-Crystal Growth, Structure, and Physical Properties of Polar LiCrP2O7","Crystal Growth & Design","2013","13","12","5473","","10.1021/cg401442r","","","0.71073","MoKα","","0.0178","0.0177","","","0.0498","0.0499","","","","","","1.065","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508594","13.6393","0.0003","12.9385","0.0003","20.2697","0.0005","90","","92.442","0.001","90","","3573.79","0.14","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 F6 N5 Ni O8 -","- C31 H31 F6 N5 Ni O8 -","- C124 H124 F24 N20 Ni4 O32 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1297","0.0722","","","0.1908","0.2215","","","","","","1.056","","","","has coordinates,has disorder","179621","2020-10-21","18:00:00",""
"4508595","26.5039","0.0006","24.8378","0.0006","18.6663","0.0004","90","","120.771","0.001","90","","10558.1","0.4","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 N9 Ni2 O11 -","- C41 H40 N9 Ni2 O11 -","- C328 H320 N72 Ni16 O88 -","8","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1375","0.0794","","","0.2077","0.2316","","","","","","1.164","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508596","10.13","0.0006","19.4772","0.0012","13.3539","0.0008","90","","90","","90","","2634.8","0.3","120","2","120","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C26 H42 N4 Ni O5 -","- C26 H34 N4 Ni O5 -","- C104 H136 N16 Ni4 O20 -","4","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0491","0.041","","","0.0962","0.0984","","","","","","1.109","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508597","13.739","0.006","15.73","0.007","18.234","0.008","90","","90","","90","","3941","3","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H38 N10 Ni O8 S2 -","- C36 H38 N10 Ni O8 S2 -","- C144 H152 N40 Ni4 O32 S8 -","4","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.1306","0.0602","","","0.1274","0.1552","","","","","","0.989","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508598","12.2794","0.0014","9.136","0.001","16.2151","0.0017","90","","103.224","0.004","90","","1770.8","0.3","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C34 H48 N8 Ni O6 -","- C34 H45 N8 Ni O6 -","- C68 H90 N16 Ni2 O12 -","2","0.5","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0669","0.0522","","","0.1437","0.1517","","","","","","1.094","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508599","10.178","0.006","12.409","0.007","13.39","0.008","78.63","0.016","75.404","0.015","85.896","0.016","1604","1.6","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 N4 Ni O6 S -","- C25 H24 N4 Ni O6 S -","- C50 H48 N8 Ni2 O12 S2 -","2","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0912","0.0538","","","0.131","0.148","","","","","","0.943","","","","has coordinates","179621","2020-10-21","18:00:00",""
"4508600","14.7437","0.0008","24.709","0.0013","20.6058","0.0011","90","","105.314","0.002","90","","7240.2","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29.88 H37.38 N5.63 Ni O7.63 -","- C28 H33 N5 Ni O7 -","- C224 H264 N40 Ni8 O56 -","8","1","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0847","0.0562","","","0.1425","0.1535","","","","","","0.984","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4508601","19.562","0.0014","15.8621","0.0012","15.3525","0.0011","90","","90","","90","","4763.8","0.6","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C50 H50 N8 Ni O8 -","- C50 H50 N8 Ni O8 -","- C200 H200 N32 Ni4 O32 -","4","","","Goswami, Arijit; Bala, Sukhen; Pachfule, Pradip; Mondal, Raju","Comprehensive Study on Mutual Interplay of Multiple V-Shaped Ligands on the Helical Nature of a Series of Coordination Polymers and Their Properties","Crystal Growth & Design","2013","13","12","5487","","10.1021/cg401469f","","","0.71073","MoKα","","0.0311","0.0292","","","0.0757","0.0768","","","","","","1.078","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4508602","29.9759","0.0001","29.9759","0.0001","29.9759","0.0001","90","","90","","90","","26935","0.16","296","2","296","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C52 H32 Cu4 N4 O18 -","- C52.12 Cu4.02 N3.96 O19.98 -","- C416.96 Cu32.16 N31.68 O159.84 -","8","0.0416667","","Lin, Qipu; Bu, Xianhui; Feng, Pingyun","Perfect Statistical Symmetrization of a Heterofunctional Ligand Induced by Pseudo-Copper Trimer in an Expanded Matrix of HKUST-1","Crystal Growth & Design","2013","13","12","5175","","10.1021/cg401579z","","","0.71073","MoKα","","0.0956","0.0798","","","0.2275","0.2504","","","","","","1.037","","","","has coordinates,has disorder","179622","2020-10-21","18:00:00",""
"4510605","14.46","0.006","6.9","0.002","16.821","0.008","90","","99.628","0.016","90","","1654.7","1.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1204","0.0583","","","0.1021","0.1181","","","","","","1.11","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510606","14.469","0.006","6.995","0.002","16.938","0.008","90","","99.715","0.016","90","","1689.7","1.2","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1114","0.0547","","","0.0864","0.0995","","","","","","1.142","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510607","14.473","0.006","6.872","0.002","16.755","0.008","90","","99.721","0.016","90","","1642.5","1.1","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1132","0.0537","","","0.1015","0.1157","","","","","","1.08","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510608","14.457","0.006","6.943","0.002","16.878","0.008","90","","99.648","0.016","90","","1670.2","1.2","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1044","0.053","","","0.0937","0.1037","","","","","","1.354","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510609","14.37","0.006","6.25","0.002","16.67","0.008","90","","99.413","0.016","90","","1477","1.1","30","","30","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1138","0.0668","","","0.1291","0.1416","","","","","","1.264","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510610","14.426","0.006","6.808","0.002","16.712","0.008","90","","99.429","0.016","90","","1619.1","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","4-dimethylaminobenzoic acid 3,5-dinitrobenzoic acid","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.1067","0.0545","","","0.1032","0.1152","","","","","","1.119","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510611","9.7845","0.0015","8.9435","0.0013","9.45","0.0012","90","","97.577","0.005","90","","819.7","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0881","0.0442","","","0.0954","0.1423","","","","","","1.145","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510612","9.9026","0.001","8.9085","0.0008","9.4714","0.0007","90","","96.533","0.003","90","","830.12","0.13","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0794","0.0423","","","0.0992","0.1263","","","","","","1.123","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510613","10.0486","0.0012","8.8884","0.0009","9.5167","0.0008","90","","95.634","0.003","90","","845.89","0.15","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C28 H16 N8 O24 -","4","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71075","MoKα","","0.0893","0.0516","","","0.1115","0.1282","","","","","","0.975","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510614","20.08","0.005","8.7","0.005","9.6","0.005","90","","109.75","0.01","90","","1578.4","1.3","20","","20","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","","neutron","","0.0705","0.0448","","","0.1266","0.1387","","","","","","1.027","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510615","20.3727","0.0012","8.7522","0.0004","9.6991","0.0006","90","","110.093","0.002","90","","1624.15","0.16","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0314","0.0293","","","0.0839","0.0852","","","","","","1.043","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510616","21.042","0.003","8.7285","0.0009","9.7693","0.001","90","","111.118","0.004","90","","1673.8","0.3","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0421","0.0345","","","0.1006","0.1059","","","","","","1.104","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510617","20.6923","0.0018","8.7492","0.0006","9.7407","0.0009","90","","110.57","0.003","90","","1651","0.2","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,5-dinitrobenzoic acid","","- C7 H4 N2 O6 -","- C7 H4 N2 O6 -","- C56 H32 N16 O48 -","8","1","","Jones, Andrew O. F.; Blagden, Nicholas; McIntyre, Garry J.; Parkin, Andrew; Seaton, Colin C.; Thomas, Lynne H.; Wilson, Chick C.","Tuning Proton Disorder in 3,5-Dinitrobenzoic Acid Dimers: the Effect of Local Environment","Crystal Growth & Design","2013","13","2","497","","10.1021/cg300906j","","","0.71073","MoKα","","0.0347","0.0314","","","0.0888","0.091","","","","","","1.054","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510618","10.6829","0.0014","20.759","0.003","10.5063","0.0015","90","","95.807","0.012","90","","2318","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","syn-1a.2MeOH","","","- C16 H30 B10 N2 O4 -","- C16 H30 B10 N2 O4 -","- C64 H120 B40 N8 O16 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1138","0.0701","","","0.178","0.2193","","","","","","1.059","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510619","28.26","0.002","16.0016","0.0008","20.5751","0.0016","90","","111.289","0.009","90","","8669.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","anti-1a.MeOH","","","- C15 H26 B10 N2 O3 -","- C15 H26 B10 N2 O3 -","- C240 H416 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1178","0.0818","","","0.2251","0.2529","","","","","","1.082","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510620","16.04","0.003","20.284","0.004","26.321","0.006","90","","90","","90","","8564","3","100","2","100","2","","","","","","","Will Stoate","5","P b c a","-P 2ac 2ab","61","Anti-1a:EtOH","","","- C16 H28 B10 N2 O3 -","- C16 H28 B10 N2 O3 -","- C256 H448 B160 N32 O48 -","16","2","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71075","MoKα","","0.1382","0.1264","","","0.2439","0.2499","","","","","","1.35","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510621","14.947","0.003","11.1698","0.0019","11.0133","0.0018","90","","90","","90","","1838.7","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","syn-1b","","","- C14 H22 B10 N2 O2 -","- C14 H22 B10 N2 O2 -","- C56 H88 B40 N8 O8 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1112","0.0638","","","0.1263","0.1544","","","","","","0.994","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510622","6.8505","0.0002","22.9746","0.0008","15.8013","0.0006","90","","93.117","0.002","90","","2483.25","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","anti-1d:2H20","","","- C22 H30 B10 N2 O4 -","- C22 H30 B10 N2 O4 -","- C88 H120 B40 N8 O16 -","4","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","1.54178","CuKα","","0.0543","0.0393","","","0.0941","0.103","","","","","","1.044","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510623","12.7294","0.0002","15.8942","0.0003","20.7959","0.0005","87.452","0.001","72.76","0.001","85.372","0.001","4004.43","0.14","120","2","120","2","","","","","","","Jose Giner Planas","4","P -1","-P 1","2","syn-1f:0.25H2O","","","- C64 H98 B40 O9 -","- C64 H98 B40 O9 -","- C128 H196 B80 O18 -","2","1","","Di Salvo, Florencia; Paterakis, Christos; Tsang, Min Ying; García, Yolanda; Viñas, Clara; Teixidor, Francesc; Giner Planas, José; Light, Mark E.; Hursthouse, Michael B.; Choquesillo-Lazarte, Duane","Synthesis and Crystallographic Studies of Disubstituted Carboranyl Alcohol Derivatives: Prevailing Chiral Recognition?","Crystal Growth & Design","2013","13","4","1473","","10.1021/cg400082z","","","0.71073","MoKα","","0.1065","0.0719","","","0.1538","0.1688","","","","","","1.085","","","","has coordinates,has disorder","288505","2023-12-22","15:12:02",""
"4510624","14.555","0.004","14.95","0.004","8.557","0.003","90","","92.473","0.004","90","","1860.2","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Aceclofenac-piperazine(0.5)-hydrate","","- C18 H20 Cl2 N2 O5 -","- C18 H20 Cl2 N2 O5 -","- C72 H80 Cl8 N8 O20 -","4","1","","Goud, N. Rajesh; Suresh, Kuthuru; Nangia, Ashwini","Solubility and Stability Advantage of Aceclofenac Salts","Crystal Growth & Design","2013","13","4","1590","","10.1021/cg301825u","","","0.71073","MoKα","","0.0351","0.0335","","","0.0814","0.0825","","","","","","1.103","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510625","18.379","0.004","4.3789","0.0011","13.658","0.003","90","","90","","90","","1099.2","0.4","120","2","120","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2-acetyloxy-3-acetylaminobenzoic acid","2-acetyloxy-3-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C44 H44 N4 O20 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.1533","0.0913","","","0.1723","0.2057","","","","","","1.178","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510626","7.9457","0.0002","8.0305","0.0002","9.6719","0.0002","110.801","0.001","99.754","0.002","105.371","0.002","531.97","0.02","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-acetyloxy-5-acetylaminobenzoic acid","2-acetyloxy-5-acetylaminobenzoic acid","","- C11 H11 N O5 -","- C11 H11 N O5 -","- C22 H22 N2 O10 -","2","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.0388","0.035","","","0.0905","0.0933","","","","","","1.042","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510627","9.8775","0.0005","4.8547","0.0002","18.343","0.001","90","","104.957","0.002","90","","849.79","0.07","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7.43 F0.57 O4 -","- C9 H7.43 F0.57 O4 -","- C36 H29.72 F2.28 O16 -","4","1","","Kendrick, John; Montis, Riccardo; Hursthouse, Michael B.; Leusen, Frank J. J.","“In-SilicoSeeding”: Isostructurality and Pseudoisostructurality in a Family of Aspirin Derivatives","Crystal Growth & Design","2013","13","7","2906","","10.1021/cg4003324","","","0.71073","MoKα","","0.0799","0.0469","","","0.0958","0.1082","","","","","","1.035","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510628","10.986","0.007","14.734","0.009","26.658","0.016","90","","98.132","0.01","90","","4272","5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H48 As2 N7 O37 W8 -","- C7 H28 As2 N7 O37 W8 -","- C28 H112 As8 N28 O148 W32 -","4","1","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.0531","0.0345","","","0.0606","0.0643","","","","","","0.992","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510629","13.2557","0.0014","17.1985","0.0019","22.291","0.002","73.312","0.002","74.903","0.002","80.82","0.002","4680","0.8","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C13 H91 As2 Cl1.5 N13 Na0.5 Ni3 O74 W17 -","- C13 H52 As2 Cl1.5 N13 Na0.5 Ni3 O74 W17 -","- C26 H104 As4 Cl3 N26 Na Ni6 O148 W34 -","2","1","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.077","0.0512","","","0.1219","0.1312","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510630","16.933","0.006","14.724","0.005","18.359","0.005","90","","120.21","0.02","90","","3956","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H68 As2 N12 Ni4 O78 W18 -","- C12 H48 As2 N12 Ni4 O78 W18 -","- C24 H96 As4 N24 Ni8 O156 W36 -","2","0.5","","Yang, Lei; Ma, Xiang; Ma, Pengtao; Hua, Jiai; Niu, Jingyang","A Series of Arsenotungstates Based on the [HAs2W8O31]7‒Building Block: Syntheses by Control of the Reaction Process","Crystal Growth & Design","2013","13","7","2982","","10.1021/cg4004033","","","0.71073","MoKα","","0.0434","0.0308","","","0.062","0.0656","","","","","","1.002","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510631","11.914","0.0016","10.714","0.002","16.176","0.002","90","","109.43","0.01","90","","1947.2","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ditheobrominesilver(I) perchlorate","Ditheobrominesilver(I) perchlorate","","- C14 H16 Ag Cl N8 O8 -","- C14 H16 Ag Cl N8 O8 -","- C56 H64 Ag4 Cl4 N32 O32 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0753","0.0381","","","0.0955","0.1094","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510632","7.4803","0.0008","16.162","0.003","16.974","0.0018","90","","101.21","0.008","90","","2012.9","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Aquaditherobrominesilver(I) perchlorate","Aquaditherobrominesilver(I) perchlorate","","- C14 H18 Ag Cl N8 O9 -","- C14 H18 Ag Cl N8 O9 -","- C56 H72 Ag4 Cl4 N32 O36 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0457","0.034","","","0.0914","0.1018","","","","","","1.069","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510633","7.2094","0.0004","14.3497","0.0008","15.5978","0.0009","69.658","0.004","83.826","0.004","86.8","0.004","1503.93","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver) tetrahydrogendecavandate","Bis(ditheobrominesilver)tetrahydrogendi-mu6-oxo-tetra-mu3-oxo- tetradeca-mu-oxo-octaoxodecavanadate trihydrate","","- C28 H42 Ag2 N16 O39 V10 -","- C28 H32 Ag2 N16 O39 V10 -","- C28 H32 Ag2 N16 O39 V10 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0667","0.044","","","0.1308","0.1444","","","","","","1.05","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510634","12.8296","0.0004","14.24","0.0004","22.0804","0.0006","90.268","0.002","98.412","0.002","94.089","0.002","3979.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver)dichromate hemihydrate","Bis(ditheobrominesilver)dichromate hemihydrate","","- C28 H33 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","- C112 H128 Ag8 Cr8 N64 O62 -","4","2","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0755","0.052","","","0.1369","0.1501","","","","","","1.025","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510635","7.1571","0.001","12.0982","0.0016","12.256","0.0019","80.026","0.017","79.179","0.017","87.789","0.016","1026.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis(ditheobrominesilver)dichromate hemihydrate","Bis(ditheobrominesilver)dichromate hemihydrate","","- C28 H33 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","- C28 H32 Ag2 Cr2 N16 O15.5 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.089","0.0382","","","0.0755","0.0875","","","","","","0.848","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510636","21.7118","0.0006","17.8399","0.0004","18.8061","0.0005","90","","122.236","0.002","90","","6161.5","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(ditheobrominesilver)hydroniumsilveroctamolybdate hexahydrate","Bis(ditheobrominesilver)hydronium(silverdi-mu4-oxo-tetra-mu3- oxo-hexa-mu-oxo-tetradecaoxooctamolybdate) hexahydrate","","- C28 H47 Ag3 Mo8 N16 O41 -","- C28 H32 Ag3 Mo8 N16 O41 -","- C112 H128 Ag12 Mo32 N64 O164 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0441","0.0372","","","0.1177","0.1227","","","","","","1.043","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510637","28.0789","0.0011","6.3957","0.0001","21.3742","0.0008","90","","98.857","0.003","90","","3792.7","0.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Di(theobrominesilver)silver hexahydrogenoctamolybdatochromate","Di(theobrominesilver)silver hexa-mu3-hydroxo-hexa-mu-oxo- [7-chromiumhexakis(dioxomolybdenum)]ate","","- C14 H26 Ag3 Cr Mo6 N8 O30 -","- C14 H22 Ag3 Cr Mo6 N8 O30 -","- C56 H88 Ag12 Cr4 Mo24 N32 O120 -","4","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0412","0.0309","","","0.0758","0.0806","","","","","","1.027","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510638","10.4692","0.001","12.1347","0.0012","14.4977","0.0014","85.47","0.008","77.104","0.008","77.693","0.008","1753.1","0.3","170","2","170","2","","","","","","","","7","P -1","-P 1","2","Bis(ditheobrominesilver)hexamolybdatonickelate dihydronium dihydrogencarbonate pentadecahydrate","Bis(ditheobrominesilver) dihydronium hexa-mu3-hydroxo-hexa-mu-oxo- [7-nickelhexakis(dioxomolybdenum)]ate dihydrogencarbonate pentadecahydrate'","","- C29 H76 Ag2 Mo6 N16 Ni O52 -","- C29 H38 Ag2 Mo6 N16 Ni O52 -","- C29 H38 Ag2 Mo6 N16 Ni O52 -","1","0.5","","Kulikov, Vladislav; Meyer, Gerd","A New Strategy for the Synthetic Assembly of Inorganic‒Organic Silver(I)-Polyoxometalate Hybrid Structures Employing Noncovalent Interactions between Theobromine Ligands","Crystal Growth & Design","2013","13","7","2916","","10.1021/cg400335y","","","0.71073","MoKα","","0.0406","0.0383","","","0.0995","0.1017","","","","","","1.086","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510639","11.9883","0.0004","11.9883","0.0004","11.9883","0.0004","90","","90","","90","","1722.95","0.1","293","2","293","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","mayenite","","","- Al14 Ca12 O33 -","- Al14.004 Ca11.994 O32.984 -","- Al28.008 Ca23.988 O65.968 -","2","0.0416667","","Ebbinghaus, Stefan G.; Krause, Holger; Syrowatka, Frank","Floating Zone Growth of Large and Defect-free Ca12Al14O33Single Crystals","Crystal Growth & Design","2013","13","7","2990","","10.1021/cg400406t","","","0.71073","MoKα","","0.0263","0.026","","","0.0555","0.0557","","","","","","1.117","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510640","7.0587","0.0012","12.432","0.002","19.09","0.004","90","","90","","90","","1675.2","0.5","223","2","223","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C16 H10 Ba2 O10 -","- C16 H10 Ba2 O10 -","- C64 H40 Ba8 O40 -","4","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0162","0.0156","","","0.0412","0.0414","","","","","","1.131","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510641","6.9551","0.0019","5.9467","0.0015","13.852","0.004","90","","92.399","0.004","90","","572.4","0.3","223","2","223","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C7 H4 Ba0.5 O2 -","- C7 H4 Ba0.5 O2 -","- C28 H16 Ba2 O8 -","4","0.5","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.0129","0.0129","","","0.0345","0.0345","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510642","25.984","0.003","25.984","0.003","13.9986","0.0015","90","","90","","90","","9451.4","1.8","223","2","223","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","","","","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C16 H9.5 Ba1.5 N0.5 O8.5 -","- C256 H152 Ba24 N8 O136 -","16","1","","Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu","Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands","Crystal Growth & Design","2013","13","7","2965","","10.1021/cg4003803","","","0.71075","MoKα","","0.044","0.0396","","","0.1315","0.1483","","","","","","1.244","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510643","9.289","0.004","10.21","0.005","17.241","0.007","90","","99.938","0.003","90","","1610.6","1.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","catena-Poly[diaqua(mu-isophthalato-k2O,O':kO'')(9-methyladenine-kN7)copper(II)]","","- C14 H15 Cu N5 O6 -","- C14 H15 Cu N5 O6 -","- C56 H60 Cu4 N20 O24 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0559","0.0395","","","0.0932","0.0979","","","","","","0.929","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510644","16.628","0.0004","16.628","0.0004","11.049","0.0005","90","","90","","90","","3054.94","0.17","100","2","100","2","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","","Poly[(mu-isophthalato-k2O,O':k2O'',O''')(mu-9-methyladenine-kN1:kN7)copper(II)]","","- C14 H11 Cu N5 O4 -","- C14 H4 Cu N5 O4 -","- C112 H32 Cu8 N40 O32 -","8","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.142","0.1286","","","0.2582","0.2662","","","","","","1.071","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510645","13.458","0.002","13.046","0.001","13.826","0.002","90","","96.922","0.012","90","","2409.8","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[bis(mu-isophthalato-kO:kO':kO'':kO''')bis(9-methyladenine-kN7) dicopper(II)‒isophthalic acid (1/2)]","","- C44 H34 Cu2 N10 O16 -","- C44 H34 Cu2 N10 O16 -","- C88 H68 Cu4 N20 O32 -","2","0.5","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.204","0.105","","","0.2571","0.3001","","","","","","0.894","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510646","9.628","0.001","19.315","0.001","14.872","0.001","90","","108.705","0.003","90","","2619.6","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","Poly[aquabis(mu-isophthalato-kO:kO':k2O'',O''')(mu-9-methyladenina-kN1:kN7) dicopper(II)‒water (1/1)]","","- C22 H19 Cu2 N5 O10 -","- C22 H17 Cu2 N5 O10 -","- C88 H68 Cu8 N20 O40 -","4","1","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","0.71073","MoKα","","0.0748","0.0628","","","0.1621","0.1688","","","","","","1.041","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510647","9.236","0.0004","12.465","0.0007","23.213","0.0009","90.297","0.004","96.642","0.004","104.656","0.004","2566.5","0.2","100","2","100","","","","","","","","synthesis as described","5","P -1","-P 1","2","","Poly[diaqua(mu3-isophthalato-kO:kO':k2O'',O''')(mu3-isophthalato-kO:kO':kO'') (mu-9-methyladenine-kN1:kN7)dicopper(II)‒water (1/1.5)]","","- C22 H22 Cu2 N5 O11.5 -","- C22 H19 Cu2 N5 O11.5 -","- C88 H76 Cu8 N20 O46 -","4","2","","Pérez-Yáñez, Sonia; Beobide, Garikoitz; Castillo, Oscar; Cepeda, Javier; Luque, Antonio; Román, Pascual","Structural Diversity in a Copper(II)/Isophthalato/9-Methyladenine System. From One- to Three-Dimensional Metal-Biomolecule Frameworks","Crystal Growth & Design","2013","13","7","3057","","10.1021/cg400458a","","","1.5418","CuKα","","0.0939","0.0614","","","0.1566","0.1736","","","","","","0.951","","","","has coordinates","194590","2020-10-21","18:00:00",""
"4510648","13.305","0.006","6.499","0.003","11.757","0.005","90","","101.85","0.03","90","","995","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride","","- C4 H10 Cl2 N10 -","- C4 H10 Cl2 N10 -","- C16 H40 Cl8 N40 -","4","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.1176","0.0778","","","0.1917","0.2126","","","","","","1.046","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510649","6.18","0.001","7.077","0.0014","7.501","0.003","71.746","0.018","82.23","0.03","84.99","0.02","308.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)- ethene dichloride","","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0305","0.0259","","","0.0682","0.0711","","","","","","1.088","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510650","6.496","0.0012","7.198","0.002","8.464","0.002","99.4","0.02","105.66","0.03","116.19","0.02","323.16","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)- butadiene dichloride","","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0548","0.0491","","","0.1313","0.1337","","","","","","1.23","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510651","6.253","0.0003","7.102","0.0003","7.458","0.0005","71.638","0.004","82.203","0.004","84.028","0.003","310.77","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E)-1,2-bis(3,4-diamino-1,2,4-triazolium-5-yl)- ethene dichloride","","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","- C6 H12 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0405","0.0296","","","0.0745","0.0798","","","","","","1.049","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510652","13.368","0.007","6.521","0.003","11.799","0.005","90","","102.41","0.02","90","","1004.5","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3,4-diamino-5-(3,4-diamino-1,2,4-triazolium-5-yl)- 1,2,4-triazolium dichloride","","- C4 H10 Cl2 N10 -","- C4 H10 Cl2 N10 -","- C16 H40 Cl8 N40 -","4","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.1054","0.0744","","","0.1958","0.2187","","","","","","1.056","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510653","6.505","0.0005","7.299","0.0008","8.451","0.001","99.413","0.011","105.548","0.008","116.344","0.009","327.35","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(E,E)-1,4-bis(3,4-diamino-1,2,4-triazolium-5-yl)- butadiene dichloride","","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","- C8 H14 Cl2 N10 -","1","0.5","","Centore, Roberto; Causà, Mauro; Fusco, Sandra; Carella, Antonio","Short π-Stacking in N-Rich Ionic Aromatic Compounds","Crystal Growth & Design","2013","13","7","3255","","10.1021/cg400750d","","x-ray","0.71073","MoKα","","0.0584","0.0409","","","0.0932","0.0984","","","","","","1.143","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510654","5.5208","0.0005","7.884","0.0007","20.7272","0.0019","95.613","0.011","95.529","0.011","97.858","0.011","883.89","0.14","170","2","170","2","","","","","","","","4","P -1","-P 1","2","[C0C13]Br","","","- C16 H30 Br N2 -","- C16 H31 Br N2 -","- C32 H62 Br2 N4 -","2","1","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","On the Mesophase Formation of 1,3-Dialkylimidazolium Ionic Liquids","Crystal Growth & Design","2013","13","7","3068","","10.1021/cg4004593","","","0.71073","MoKα","","0.0422","0.0379","","","0.0906","0.0919","","","","","","1.022","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510655","17.125","0.002","8.2532","0.0007","13.0073","0.0014","90","","103.102","0.014","90","","1790.5","0.3","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[C2C11]Br","","","- C64 H124 Br4 N8 -","- C64 H124 Br4 N8 -","- C64 H124 Br4 N8 -","1","0.25","","Yang, Mei; Mallick, Bert; Mudring, Anja-Verena","On the Mesophase Formation of 1,3-Dialkylimidazolium Ionic Liquids","Crystal Growth & Design","2013","13","7","3068","","10.1021/cg4004593","","","0.71073","MoKα","","0.0919","0.0515","","","0.1","0.11","","","","","","0.855","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510656","11.029","0.001","10.759","0.002","26.357","0.004","90","","90","","90","","3127.5","0.8","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","BuG","","","- C9 H13 N5 O -","- C9 H13 N5 O -","- C108 H156 N60 O12 -","12","3","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1399","0.115","","","0.3072","0.333","","","","","","1.329","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510657","10.219","0.004","10.475","0.007","12.735","0.004","69.56","0.03","85.46","0.03","61.98","0.03","1121.7","1","290","2","290","2","","","","","","","","5","P -1","-P 1","2","(BuGH)(F2TCNQ)(MeOH)","","","- C22 H20 F2 N9 O2 -","- C22 H20 F2 N9 O2 -","- C44 H40 F4 N18 O4 -","2","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","0.71073","MoKα","","0.1834","0.0704","","","0.1624","0.2219","","","","","","0.998","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510658","21.8346","0.0015","6.8446","0.0003","29.771","0.003","90","","99.016","0.008","90","","4394.3","0.6","290","2","290","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(BuGH)(F4TCNQ)","","","- C21 H14 F4 N9 O -","- C21 H14 F4 N9 O -","- C168 H112 F32 N72 O8 -","8","1","","Murata, Tsuyoshi; Saito, Gunzi; Nakamura, Kenji; Maesato, Mitsuhiko; Hiramatsu, Takaaki; Yoshida, Yukihiro","Exploration of Charge-Transfer Solids Utilizing Nucleobases: Nanoarchitectures by Hydrogen-Bonds in the Ionic Assemblies of Guanine and TCNQ Derivatives","Crystal Growth & Design","2013","13","7","2778","","10.1021/cg400059h","","","1.54187","CuKα","","0.3859","0.0613","","","0.1806","0.1935","","","","","","1.05","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510659","8.81048","0.00029","8.81048","0.00029","7.34274","0.00025","90","","90","","90","","569.98","0.03","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-co(ii)","","- C10 H12 Co N4 -","- C10 H12 Co N4 -","- C20 H24 Co2 N8 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510660","13.46169","0.00038","13.46169","0.00038","13.46169","0.00038","90","","90","","90","","2439.49","0.12","298","","298","","","","","","","","","4","I m -3 m","-I 4 2 3","229","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cu(ii)","","- C10 H12 Cu N4 -","- C10 Cu N4 -","- C80 Cu8 N32 -","8","0.0833333","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510661","9.132637","0.00007","9.132637","0.00007","23.09972","0.00024","90","","90","","120","","1668.51","0.03","298","","298","","","","","","","","","4","P 61 2 2","P 61 2 (0 0 5)","178","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-cd(ii)","","- C10 H12 Cd N4 -","- C9 H12 Cd N4 -","- C54 H72 Cd6 N24 -","6","0.5","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510662","8.81181","0.00053","8.81181","0.00053","7.36675","0.00047","90","","90","","90","","572.01","0.06","298","","298","","","","","","","","","4","P -4 2 c","P -4 2c","112","","catena-3,3',5,5'-tetramethyl-4,4'-bipyrazolato-zn(ii)","","- C10 H12 N4 Zn -","- C10 H12 N4 Zn -","- C20 H24 N8 Zn2 -","2","0.25","","Tăbăcaru, Aurel; Pettinari, Claudio; Timokhin, Ivan; Marchetti, Fabio; Carrasco-Marín, Francisco; Maldonado-Hódar, Francisco José; Galli, Simona; Masciocchi, Norberto","Enlarging an Isoreticular Family: 3,3′,5,5′-Tetramethyl-4,4′-bipyrazolato-Based Porous Coordination Polymers","Crystal Growth & Design","2013","13","7","3087","","10.1021/cg400495w","powder diffraction","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510663","17.8701","0.0005","13.8872","0.0004","18.4391","0.0005","90","","92.262","0.002","90","","4572.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 N O28 U4 -","- C33 H27 N O28 U4 -","- C132 H108 N4 O112 U16 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0499","0.0292","","","0.0507","0.056","","","","","","1","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510664","10.6636","0.0003","13.3253","0.0003","20.0859","0.0005","90","","90","","90","","2854.12","0.12","293","2","293","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C13 H5 O17 U3 -","- C13 H5 O17 U3 -","- C52 H20 O68 U12 -","4","0.5","","Falaise, Clément; Volkringer, Christophe; Loiseau, Thierry","Mixed Formate-Dicarboxylate Coordination Polymers with Tetravalent Uranium: Occurrence of Tetranuclear {U4O4} and Hexanuclear {U6O4(OH)4} Motifs","Crystal Growth & Design","2013","13","7","3225","","10.1021/cg400643g","","","0.71073","MoKα","","0.0342","0.0251","","","0.0956","0.1118","","","","","","1.252","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510665","15.159","0.003","15.881","0.003","20.187","0.004","90","","101.589","0.003","90","","4760.7","1.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H67 N6 O2 S2 -","- C52 H61 N6 O2 S2 -","- C208 H244 N24 O8 S8 -","4","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.125","0.0976","","","0.2493","0.2731","","","","","","1.04","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510666","13.6426","0.0007","16.9738","0.0009","21.6609","0.0011","76.672","0.001","76.647","0.001","73.102","0.001","4597.1","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C105 H141 N15 O3 -","- C105 H133 N15 O3 -","- C210 H266 N30 O6 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.1084","0.075","","","0.2107","0.2373","","","","","","1.062","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510667","13.522","0.0013","17.126","0.0016","21.666","0.002","76.641","0.003","76.489","0.003","73.53","0.003","4604.7","0.8","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H70 N7 O -","- C54 H70 N7 O -","- C216 H280 N28 O4 -","4","2","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.0997","0.0617","","","0.1541","0.1817","","","","","","1.023","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510668","13.8582","0.0009","16.7514","0.0011","21.7956","0.0014","75.173","0.001","75.923","0.001","70.749","0.001","4547.3","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H66 N8 -","- C52 H66 N8 -","- C208 H264 N32 -","4","2","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.1162","0.0924","","","0.2153","0.2308","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510669","12.3872","0.0015","15.5922","0.0019","16.3762","0.0019","97.037","0.002","93.522","0.002","109.287","0.002","2945.4","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H74 N13 O26.5 -","- C48 H74 N13 O26.5 -","- C96 H148 N26 O53 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.0892","0.0746","","","0.1836","0.1925","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510670","17.2","0.02","17.66","0.019","22.55","0.03","76.041","0.016","79.935","0.011","79.327","0.018","6471","13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H136 Cl12 N12 O66 -","- C97 H136 Cl12 N12 O66 -","- C194 H272 Cl24 N24 O132 -","2","1","","Chakraborty, Sourav; Arunachalam, M.; Bose, Purnandhu; Ghosh, Pradyut","Binding Studies on an Arene-Capped Bicyclic Cyclophane with π-Rich Neutral Guests and Anions","Crystal Growth & Design","2013","13","7","3208","","10.1021/cg400597e","","","0.71073","MoKα","","0.135","0.0815","","","0.2219","0.2693","","","","","","1.068","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510671","5.5237","0.0001","6.709","0.0002","26.8532","0.0005","90","","90","","90","","995.14","0.04","100","2","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.7107","MoKα","","0.036","0.034","","","","0.025","","","","","","1.845","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510672","6.68","0.0002","9.2116","0.0002","16.3534","0.0004","90","","90","","90","","1006.28","0.04","253","2","253","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 N3 O6 -","- C8 H11 N3 O6 -","- C32 H44 N12 O24 -","4","1","","Chimpri, Abita Shyorotra; Gryl, Marlena; Dos Santos, Leonardo H. R.; Krawczuk, Anna; Macchi, Piero","Correlation between Accurate Electron Density and Linear Optical Properties in Amino Acid Derivatives:l-Histidinium Hydrogen Oxalate","Crystal Growth & Design","2013","13","7","2995","","10.1021/cg400411t","","","0.71073","MoKα","","0.0515","0.0414","","","0.0939","0.0999","","","","","","1.07","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510673","8.5139","0.0006","10.2165","0.0007","11.0721","0.0008","64.208","0.001","71.563","0.001","80.752","0.001","822.32","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Er N O8 -","- C15 H15 Er N O8 -","- C30 H30 Er2 N2 O16 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0226","0.0207","","","0.0495","0.0507","","","","","","1.011","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510674","8.6514","0.0009","10.1531","0.0011","11.1703","0.0012","65.437","0.001","71.666","0.002","78.421","0.002","844.31","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N O8 Tm -","- C15 H15 N O8 Tm -","- C30 H30 N2 O16 Tm2 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0318","0.0298","","","0.0805","0.0824","","","","","","1.088","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510675","10.0691","0.0006","10.9491","0.0007","13.2211","0.0008","99.755","0.001","110.245","0.001","107.793","0.001","1238.82","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H30 Er2 N4 O15 -","- C48 H28 Er2 N4 O15 -","- C48 H28 Er2 N4 O15 -","1","0.5","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0479","0.0366","","","0.0929","0.0976","","","","","","1.003","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510676","9.955","0.003","12.795","0.003","13.801","0.004","69.415","0.004","82.562","0.004","83.117","0.004","1626.6","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H31 N O10 Tm -","- C21 H27 N O10 Tm -","- C42 H54 N2 O20 Tm2 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.047","0.0422","","","0.1201","0.1252","","","","","","1.16","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510677","9.493","0.007","13.225","0.01","16.232","0.012","111.729","0.013","100.554","0.012","91.879","0.012","1850","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Er N2 O6 -","- C30 H26 Er N2 O6 -","- C60 H52 Er2 N4 O12 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.089","0.056","","","0.1171","0.126","","","","","","0.914","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510678","17.488","0.014","13.252","0.011","18.842","0.016","90","","111.044","0.013","90","","4075","6","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 O7 Tm -","- C12 H8 O7 Tm -","- C96 H64 O56 Tm8 -","8","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0961","0.075","","","0.1808","0.189","","","","","","0.927","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510679","10.8639","0.0015","18.667","0.003","19.84","0.003","98.035","0.002","96.535","0.002","106.185","0.002","3776.4","1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H42 N2 O28 Tm4 -","- C54 H42 N2 O28 Tm4 -","- C108 H84 N4 O56 Tm8 -","2","1","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0893","0.0493","","","0.1006","0.1137","","","","","","0.86","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510680","11.24","0.0013","12.2825","0.0015","12.5391","0.0015","82.674","0.002","84.972","0.002","87.645","0.002","1709.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H77 N7 O17 Sm2 -","- C69 H77 N7 O17 Sm2 -","- C69 H77 N7 O17 Sm2 -","1","0.5","","He, Haiyan; Ma, Huiqing; Sun, Di; Zhang, Liangliang; Wang, Rongming; Sun, Daofeng","Porous Lanthanide‒Organic Frameworks: Control over Interpenetration, Gas Adsorption, and Catalyst Properties","Crystal Growth & Design","2013","13","7","3154","","10.1021/cg400531j","","","0.71073","MoKα","","0.0553","0.0392","","","0.0886","0.0965","","","","","","1.017","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510681","14.962","0.004","22.172","0.004","14.887","0.002","90","","117.59","0.03","90","","4377","1.9","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C69 H78 Cu4 N8 Na8 O50.4 S4 -","- C68.6 H70 Cu4 N8 Na8 O50.4 S4 -","- C137.2 H140 Cu8 N16 Na16 O100.8 S8 -","2","0.5","","Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.","An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers","Crystal Growth & Design","2013","13","7","2711","","10.1021/cg400547a","","","0.71073","MoKα","","0.1578","0.0727","","","0.1275","0.16","","","","","","1.018","","","","has coordinates,has disorder","289031","2024-01-11","08:36:03",""
"4510682","17.5187","0.0006","26.0111","0.0005","39.6741","0.0011","90","","90","","90","","18078.7","0.9","122","4","122","4","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C16 H8 Cu N2 Na2 O12.88 S -","- C16 H8 Cu N2 Na2.0155 O12.806 S -","- C512 H256 Cu32 N64 Na64.496 O409.792 S32 -","32","1","","Allão Cassaro, Rafael A.; Ciattini, Samuele; Soriano, Stephane; Amorim, Hélio S.; Speziali, Nivaldo L.; Andruh, Marius; Vaz, Maria G. F.","An Angular Bis-Oxamate Tecton for the Construction of Heterobimetallic Coordination Polymers","Crystal Growth & Design","2013","13","7","2711","","10.1021/cg400547a","","","0.71073","MoKα","","0.1077","0.0843","","","0.2253","0.2498","","","","","","1.06","","","","has coordinates,has disorder","179653","2020-10-21","18:00:00",""
"4510683","8.6339","0.0007","9.7493","0.001","10.677","0.0009","90","","90","","90","","898.73","0.14","120","2","120","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0382","0.0338","","","0.0917","0.0952","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510684","8.6363","0.0007","9.7488","0.001","10.6774","0.0009","90","","90","","90","","898.97","0.14","122.5","0.2","122.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0379","0.0334","","","0.0918","0.0954","","","","","","1.036","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510685","8.6391","0.0007","9.7496","0.0008","10.6781","0.0009","90","","90","","90","","899.39","0.13","125","2","125","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0393","0.0342","","","0.0942","0.0985","","","","","","1.085","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510686","8.6694","0.0008","9.7494","0.0011","10.6773","0.0011","90","","90","","90","","902.46","0.16","150","2","150","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0402","0.0343","","","0.0972","0.1022","","","","","","1.111","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510687","8.7025","0.0008","9.7517","0.0012","10.6812","0.0011","90","","90","","90","","906.45","0.17","175","2","175","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.043","0.0346","","","0.0982","0.1052","","","","","","1.098","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510688","8.7381","0.0008","9.7559","0.0008","10.6842","0.0009","90","","90","","90","","910.81","0.14","200","2","200","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0499","0.0376","","","0.1059","0.1159","","","","","","1.092","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510689","8.7429","0.0008","9.7551","0.0009","10.6814","0.001","90","","90","","90","","910.99","0.15","202.5","0.2","202.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.05","0.0366","","","0.104","0.1146","","","","","","1.078","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510690","8.7476","0.0008","9.7566","0.0011","10.67932","0.00011","90","","90","","90","","911.45","0.13","205","2","205","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0486","0.0349","","","0.0973","0.1083","","","","","","1.069","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510691","8.7516","0.0009","9.75","0.0012","10.6831","0.0011","90","","90","","90","","911.57","0.17","207.5","0.2","207.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0494","0.0348","","","0.0983","0.1088","","","","","","1.082","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510692","8.7564","0.0009","9.7605","0.0012","10.6773","0.0012","90","","90","","90","","912.56","0.18","210","2","210","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0521","0.0358","","","0.1004","0.1128","","","","","","1.082","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510693","8.761","0.0009","9.7586","0.0012","10.678","0.0011","90","","90","","90","","912.92","0.17","212.5","0.2","212.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0519","0.0359","","","0.1","0.1108","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510694","8.766","0.0009","9.758","0.0012","10.6754","0.0011","90","","90","","90","","913.16","0.17","215","2","215","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0541","0.0364","","","0.1021","0.114","","","","","","1.078","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510695","8.7689","0.0009","9.7602","0.001","10.674","0.001","90","","90","","90","","913.55","0.16","217.5","0.2","217.5","0.2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0552","0.0347","","","0.0963","0.1056","","","","","","0.949","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510696","8.8777","0.0009","9.7614","0.0012","10.684","0.0012","90","","90","","90","","925.86","0.18","220","2","220","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0612","0.0369","","","0.1075","0.1241","","","","","","1.105","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510697","8.8708","0.001","9.754","0.001","5.3493","0.001","90","","90","","90","","462.85","0.11","220","2","220","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0337","0.0327","","","0.0833","0.0844","","","","","","1.064","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510698","8.8779","0.0008","9.7606","0.0011","5.3422","0.0005","90","","90","","90","","462.92","0.08","222.5","0.2","222.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0342","0.0332","","","0.0944","0.0957","","","","","","1.01","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510699","8.783","0.0009","9.7595","0.0012","5.3416","0.0006","90","","90","","90","","457.87","0.09","225","2","225","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0339","0.0326","","","0.0866","0.0881","","","","","","1.079","","","","has coordinates","179653","2020-10-21","18:00:00",""
"4510700","8.7856","0.0009","9.7596","0.0013","5.3418","0.0006","90","","90","","90","","458.03","0.09","227.5","0.2","227.5","0.2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0345","0.0336","","","0.0876","0.0883","","","","","","1.083","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510701","8.7889","0.0009","9.7596","0.0012","5.3418","0.0006","90","","90","","90","","458.2","0.09","230","2","230","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0349","0.0339","","","0.0904","0.0913","","","","","","1.072","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510702","8.8206","0.0009","9.7598","0.0013","5.344","0.0006","90","","90","","90","","460.05","0.09","253","2","253","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0332","0.0324","","","0.0882","0.0892","","","","","","1.084","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510703","8.874","0.0009","9.757","0.0013","5.3488","0.0006","90","","90","","90","","463.12","0.09","295","2","295","2","","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C12 H26 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0366","0.0361","","","0.1011","0.1017","","","","","","1.065","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510704","6.0197","0.0011","12.929","0.003","20.964","0.004","90","","90","","90","","1631.6","0.6","296","2","296","2","1800000","","","","","","","5","P c 21 b","P -2bc -2c","29","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C48 H104 Cl8 N16 O32 -","8","2","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1466","0.0907","","","0.1682","0.1946","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510705","8.771","0.003","9.673","0.003","5.3402","0.0012","90","","90","","90","","453.1","0.2","296","2","296","2","200000","","","","","","","5","P m 21 n","P -2ab -2","31","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H12 Cl N2 O4 -","- C12 H24 Cl2 N4 O8 -","2","0.5","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.0966","0.0727","","","0.1694","0.1834","","","","","","1.058","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510706","8.496","0.004","9.4293","0.0016","10.6475","0.0013","90","","90","","90","","853","0.4","296","2","296","2","1000000","","","","","","","5","P c 21 n","P -2n -2ac","33","dabcoHClO4","1,4-diazabicyclo[2.2.2]octane perchlorate","","- C6 H13 Cl N2 O4 -","- C6 H13 Cl N2 O4 -","- C24 H52 Cl4 N8 O16 -","4","1","","Olejniczak, Anna; Anioła, Michalina; Szafrański, Marek; Budzianowski, Armand; Katrusiak, Andrzej","New Polar Phases of 1,4-Diazabicyclo[2.2.2]octane Perchlorate, An NH+···N Hydrogen-Bonded Ferroelectric","Crystal Growth & Design","2013","13","7","2872","","10.1021/cg400276c","","","0.71073","MoKα","","0.1094","0.1005","","","0.2092","0.2142","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510707","10.1561","0.0012","12.9047","0.0016","11.6393","0.0014","90","","106.807","0.005","90","","1460.3","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Ag N4 O4 -","- C12 H15 Ag N4 O4 -","- C48 H60 Ag4 N16 O16 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0356","0.0269","","","0.0497","0.0527","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510708","10.5635","0.0005","10.6997","0.0005","15.365","0.0008","89.306","0.002","86.036","0.002","64.02","0.002","1557.1","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Ag F3 N3 O2.5 -","- C14 H14 Ag F3 N3 O2.5 -","- C56 H56 Ag4 F12 N12 O10 -","4","2","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.033","0.0265","","","0.0603","0.0644","","","","","","1.115","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510709","11.2116","0.0003","14.9466","0.0003","21.4462","0.0004","100.775","0.002","94.367","0.002","109.15","0.002","3298.33","0.14","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 Ag F3 N3 O3.5 S -","- C13 H14 Ag F3 N3 O3.5 S -","- C104 H112 Ag8 F24 N24 O28 S8 -","8","4","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0552","0.0367","","","0.0902","0.0938","","","","","","1.032","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510710","20.4755","0.0009","8.2373","0.0003","18.8511","0.0009","90","","90","","90","","3179.5","0.2","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C12 H16 Ag B F4 N3 O1.5 -","- C12 H13 Ag B F4 N3 O1.5 -","- C96 H104 Ag8 B8 F32 N24 O12 -","8","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0773","0.0644","","","0.1614","0.1695","","","","","","1.116","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510711","10.25","0.0008","15.8428","0.0013","20.4499","0.0019","90","","95.236","0.003","90","","3307","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Ag3 Cl3 N6 O13 -","- C24 H28 Ag3 Cl3 N6 O13 -","- C96 H112 Ag12 Cl12 N24 O52 -","4","0.5","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0614","0.0556","","","0.1904","0.195","","","","","","1.177","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510712","9.351","0.0003","10.9234","0.0003","14.8553","0.0005","90","","90","","90","","1517.39","0.08","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 Ag F6 N3 P -","- C12 H13 Ag F6 N3 P -","- C48 H52 Ag4 F24 N12 P4 -","4","1","","Wu, Jing-Yun; Chao, Tzu-Ching; Zhong, Ming-Shiou","Influence of Counteranions on the Structural Modulation of Silver‒Di(3-pyridylmethyl)amine Coordination Polymers","Crystal Growth & Design","2013","13","7","2953","","10.1021/cg400363e","","","0.71073","MoKα","","0.0382","0.034","","","0.0971","0.1088","","","","","","1.104","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510713","10.0974","0.0002","10.2305","0.0002","11.0096","0.0002","64.965","0.001","78.8","0.001","78.323","0.001","1001.55","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","{[Mn2(tpbn)(adc)2(H2O)2].2CH3OH}n","","","- C38 H44 Mn2 N6 O12 -","- C38 H44 Mn2 N6 O12 -","- C38 H44 Mn2 N6 O12 -","1","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0314","0.0301","","","0.0867","0.0879","","","","","","1.004","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510714","25.8848","0.0007","12.8247","0.0003","20.143","0.0005","90","","106.243","0.001","90","","6419.9","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","{[Mn2(1,2-tppn)2(adc)](ClO4)2}.2CH3CN","","","- C62 H66 Cl2 Mn2 N14 O12 -","- C62 H66 Cl2 Mn2 N14 O12 -","- C248 H264 Cl8 Mn8 N56 O48 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0739","0.0517","","","0.1619","0.1819","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510715","25.435","0.003","12.504","0.0013","19.867","0.002","90","","106.5","0.004","90","","6058.3","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Mn2(tpen)2(adc)](ClO4)2.2CH3CN","","","- C60 H62 Cl2 Mn2 N14 O12 -","- C60 H62 Cl2 Mn2 N14 O12 -","- C240 H248 Cl8 Mn8 N56 O48 -","4","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0418","0.0304","","","0.0933","0.1216","","","","","","1.138","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510716","14.5375","0.0009","8.1374","0.0004","19.3409","0.0009","90","","107.31","0.004","90","","2184.4","0.2","200","2","200","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Mn2(tppen)(H2O)4(adc)](adc).4H2O}n","","","- C37 H50 Mn2 N6 O16 -","- C37 H50 Mn2 N6 O16 -","- C74 H100 Mn4 N12 O32 -","2","0.5","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","MoKα","","0.0853","0.0462","","","0.092","0.1082","","","","","","0.966","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510717","9.462","0.003","17.3","0.004","26.001","0.007","90","","94.851","0.006","90","","4241","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Mn2(tppn)(H2O)6](adc)2.3H2O","","","- C35 H48 Mn2 N6 O17 -","- C35 H45 Mn2 N6 O17 -","- C140 H180 Mn8 N24 O68 -","4","1","","Khullar, Sadhika; Mandal, Sanjay K.","Structural Diversity of Mn(II) Complexes with Acetylene Dicarboxylate and Hexadentate Ancillary Ligands under Ambient Conditions: Effect of Methylene Chain Length on Coordination Architectures","Crystal Growth & Design","2013","13","7","3116","","10.1021/cg400507n","","","0.71073","","","0.0864","0.0556","","","0.147","0.1671","","","","","","1.08","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510718","18.8885","0.0023","6.40793","0.00084","16.5076","0.0019","90","","96.8851","0.0061","90","","1983.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium guaiacolsulfonate","potassium 4-hydroxy-3-methoxybenzenesulfonate","","- C7 H7 K O5 S -","- C7 H7 K O5 S -","- C56 H56 K8 O40 S8 -","8","1","","Mahé, Nathalie; Nicolaï, Béatrice; Barrio, Maria; Perrin, Marc-Antoine; Do, Bernard; Tamarit, Josep-Lluis; Céolin, René; Rietveld, Ivo B.","Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate","Crystal Growth & Design","2013","13","7","3028","","10.1021/cg400427v","","","1.54175","CuKα","","0.01303","0.05654","","","0.10104","0.02313","","","","","","1.776","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510719","19.436","0.0016","6.3452","0.0005","16.264","0.0014","90","","97.156","0.001","90","","1990.1","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","potassium guaiacolsulfonate hemihydrate","potassium 4-hydroxy-3-methoxybenzenesulfonate hemihydrate","","- C7 H8 K O5.5 S -","- C7 H8 K O5.5 S -","- C56 H64 K8 O44 S8 -","8","1","","Mahé, Nathalie; Nicolaï, Béatrice; Barrio, Maria; Perrin, Marc-Antoine; Do, Bernard; Tamarit, Josep-Lluis; Céolin, René; Rietveld, Ivo B.","Solid-State Properties and Dehydration Behavior of the Active Pharmaceutical Ingredient Potassium Guaiacol-4-sulfonate","Crystal Growth & Design","2013","13","7","3028","","10.1021/cg400427v","","","0.71073","MoKα","","0.027","0.0262","","","0.0691","0.0698","","","","","","1.076","","","","has coordinates","273129","2022-02-23","10:11:35",""
"4510720","13.142","0.005","6.888","0.005","13.799","0.005","90","0.005","109.193","0.005","90","0.005","1179.7","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 Cl2 N5 Zn -","- C8 H11 Cl2 N5 Zn -","- C32 H44 Cl8 N20 Zn4 -","4","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0407","0.0295","","","0.0583","0.0613","","","","","","1.068","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510721","7.626","0.005","9.537","0.005","11.045","0.005","85.705","0.005","87.256","0.005","80.423","0.005","789.4","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N5 O5 Zn -","- C12 H19 N5 O5 Zn -","- C24 H38 N10 O10 Zn2 -","2","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0664","0.0557","","","0.1481","0.2014","","","","","","1.166","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510722","7.219","0.005","8.659","0.005","22.367","0.005","90","0.005","90.68","0.005","90","0.005","1398","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cd I2 N5 -","- C8 H11 Cd I2 N5 -","- C32 H44 Cd4 I8 N20 -","4","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0242","0.0225","","","0.0558","0.0569","","","","","","1.087","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510723","7.288","0.005","13.934","0.005","14.172","0.005","70.316","0.005","89.974","0.005","89.992","0.005","1355.1","1.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cl6 Hg3 N10 -","- C16 H22 Cl6 Hg3 N10 -","- C32 H44 Cl12 Hg6 N20 -","2","1","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.0967","0.0871","","","0.225","0.2466","","","","","","1.022","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510724","19.289","0.005","8.147","0.005","23.911","0.005","90","","106.538","0.005","90","","3602","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H46 N20 O -","- C32 H46 N20 O -","- C128 H184 N80 O4 -","4","0.5","","Mohapatra, Balaram; Verma, Sandeep","Crystal Engineering with Modified 2-Aminopurine and Group 12 Metal Ions","Crystal Growth & Design","2013","13","7","2716","","10.1021/cg4006168","","","0.71069","MoKα","","0.108","0.0633","","","0.1526","0.1967","","","","","","1.101","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510725","16.317","0.007","13.02","0.006","13.591","0.006","90","","100.303","0.004","90","","2841","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 N4 O10 Zn -","- C28 H36 N4 O10 Zn -","- C112 H144 N16 O40 Zn4 -","4","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0429","0.04","","","0.1271","0.1299","","","","","","0.957","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510726","21.639","0.002","9.2791","0.0011","17.132","0.002","90","","111.495","0.002","90","","3200.7","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 N4 O8 Zn2 -","- C34 H26 N4 O8 Zn2 -","- C136 H104 N16 O32 Zn8 -","4","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0765","0.0624","","","0.1967","0.2291","","","","","","1.113","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510727","9.0531","0.0019","19.218","0.004","16.342","0.003","90","","92.804","0.004","90","","2839.8","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 N8 O14 Zn2 -","- C60 H58 N8 O14 Zn2 -","- C120 H116 N16 O28 Zn4 -","2","0.5","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.0993","0.0547","","","0.156","0.2009","","","","","","1.057","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510728","22.953","0.005","28.26","0.005","16.064","0.003","90","","125.983","0.005","90","","8432","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H37 N5 O10 Zn2 -","- C40 H37 N5 O10 Zn2 -","- C320 H296 N40 O80 Zn16 -","8","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1176","0.0635","","","0.1641","0.198","","","","","","0.975","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510729","20.504","0.004","9.5776","0.0017","19.444","0.004","90","","103.735","0.003","90","","3709.2","1.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N3 O10 Zn2 -","- C29 H24 N3 O10 Zn2 -","- C116 H96 N12 O40 Zn8 -","4","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1043","0.0716","","","0.2058","0.2325","","","","","","1","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510730","19.67","0.03","9.54","0.012","18.23","0.02","90","","101.71","0.03","90","","3350","8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H25 N4 O12 Zn2 -","- C36 H25 N4 O12 Zn2 -","- C144 H100 N16 O48 Zn8 -","4","1","","Zhang, Xin; Hou, Lei; Liu, Bo; Cui, Lin; Wang, Yao-Yu; Wu, Biao","Syntheses, Structures, and Luminescent Properties of Six New Zinc(II) Coordination Polymers Constructed by Flexible Tetracarboxylate and Various Pyridine Ligands","Crystal Growth & Design","2013","13","7","3177","","10.1021/cg400579w","","","0.71073","MoKα","","0.1285","0.0724","","","0.1573","0.1841","","","","","","1.117","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510731","7.487","","11.041","","13.775","","90","","92.9","","90","","1137.24","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.711","X","","","0","","","0","","","","","","","0","","","","has coordinates","288073","2023-12-06","14:03:00",""
"4510732","7.4874","0.0002","11.0406","0.0003","13.7754","0.0004","90","","92.939","0.001","90","","1137.25","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.71073","MoKα","","0.0364","0.0306","","","0.0947","0.0975","","","","","","0.963","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510733","7.4874","0.0002","11.0406","0.0003","13.7754","0.0004","90","","92.939","0.001","90","","1137.25","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","El Hassan, Nouha; Ikni, Aziza; Gillet, Jean-Michel; Spasojevic-de Biré, Anne; Ghermani, Nour Eddine","Electron Properties of Carbamazepine Drug in Form III","Crystal Growth & Design","2013","13","7","2887","","10.1021/cg4002994","","","0.71073","MoKα","","0.0114","0.0114","","","0.0108","0.0108","","","","","","0.589","","","","has coordinates","288073","2023-12-06","14:03:14",""
"4510734","13.0333","0.0008","13.5524","0.0007","27.8507","0.0018","92.526","0.004","95.448","0.004","99.997","0.004","4813.6","0.5","100","2","173","2","","","","","","","","5","P -1","-P 1","2","8","","","- C106 H134 Co N6 O16 -","- C106 H134 Co N6 O16 -","- C212 H268 Co2 N12 O32 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.71073","MoKα","","0.1203","0.0617","","","0.142","0.1603","","","","","","0.921","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510735","11.298","0.002","15.849","0.003","27.416","0.005","89.235","0.003","80.416","0.003","80.184","0.003","4769.2","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","7","","","- C95 H109 Co N3 O13 -","- C95 H109 Co N3 O13 -","- C190 H218 Co2 N6 O26 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.7749","MoKα","","0.1055","0.0848","","","0.2226","0.2393","","","","","","1.226","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510736","12.9816","0.0018","13.578","0.002","27.769","0.004","93.021","0.004","95.356","0.004","99.979","0.004","4787.7","1.2","100","2","173","2","","","","","","","","5","P -1","-P 1","2","9","","","- C106 H132 Co N6 O16 -","- C106 H132 Co N6 O16 -","- C212 H264 Co2 N12 O32 -","2","1","","Cholewa, Piotr P.; Beavers, Christine M.; Teat, Simon J.; Dalgarno, Scott J.","Molecular Paneling in the Rational Design of Calixarene Coordination Polymers","Crystal Growth & Design","2013","13","7","2703","","10.1021/cg400125x","","","0.71073","MoKα","","0.1655","0.073","","","0.1599","0.2011","","","","","","0.984","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510737","21.15","0.004","18.254","0.003","15.735","0.003","90","","109.559","0.003","90","","5724.3","1.8","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C32.6 H30.55 N2.78 O16.81 S4 -","- C32.595 H30.572 N2.785 O16.81 S4 -","- C130.38 H122.288 N11.14 O67.24 S16 -","4","0.5","","Xiao, Wenchang; Hu, Chunhua; Ward, Michael D.","Isolation and Stabilization of a Pheromone in Crystalline Molecular Capsules","Crystal Growth & Design","2013","13","7","3197","","10.1021/cg4005906","","","0.71073","MoKα","","0.1159","0.0924","","","0.2667","0.2839","","","","","","1.069","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510738","11.0629","0.0006","15.9543","0.0008","18.2692","0.0011","90","","90","","90","","3224.5","0.3","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C31 H26 Br N O6 Zn -","- C31 H26 Br N O6 Zn -","- C62 H52 Br2 N2 O12 Zn2 -","2","0.25","","Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption","Crystal Growth & Design","2013","13","7","2938","","10.1021/cg400342m","","","0.71073","MoKα","","0.0961","0.0866","","","0.2327","0.2405","","","","","","1.064","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510739","10.8826","0.0016","16.0836","0.0019","18.292","0.003","90","","90","","90","","3201.7","0.8","100","2","100","2","","","","","","","","6","P m m m","-P 2 2","47","","","","- C54 H81 Br N10 O15 Zn -","- C27 H18 Br N O6 Zn -","- C54 H36 Br2 N2 O12 Zn2 -","2","0.25","","Weston, Mitchell H.; Delaquil, Amelia A.; Sarjeant, Amy A.; Farha, Omar K.; Hupp, Joseph T.; Nguyen, SonBinh T.","Tuning the Hydrophobicity of Zinc Dipyridyl Paddlewheel Metal‒Organic Frameworks for Selective Sorption","Crystal Growth & Design","2013","13","7","2938","","10.1021/cg400342m","","","1.54178","CuKα","","0.0955","0.0643","","","0.1666","0.1782","","","","","","0.867","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510740","7.3516","0.0011","16.346","0.002","18.801","0.003","90","","90","","90","","2259.3","0.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N5 O3 -","- C24 H29 N5 O3 -","- C96 H116 N20 O12 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510741","10.2475","0.0003","12.7244","0.0003","19.7838","0.0005","90","","90","","90","","2579.67","0.12","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H35 N5 O4 -","- C26 H35 N5 O4 -","- C104 H140 N20 O16 -","4","1","","Wang, Jian-Rong; Wang, Xiaojuan; Lu, Liye; Mei, Xuefeng","Highly Crystalline Forms of Valsartan with Superior Physicochemical Stability","Crystal Growth & Design","2013","13","7","3261","","10.1021/cg400762w","","","1.54178","CuKα","","0.0274","0.027","","","0.0701","0.0704","","","","","","1.025","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510742","28.725","0.005","19.529","0.005","32.405","0.005","90","0.005","113.411","0.005","90","0.005","16682","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C83 H83 Co9 N50 O29 S0 W6 -","- C84 H83 Co9 N50 O31.94 W6 -","- C336 H332 Co36 N200 O127.76 W24 -","4","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71069","MoKα","","0.1134","0.0638","","","0.1339","0.1508","","","","","","1.021","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510743","26.0758","0.0016","26.0758","0.0016","19.354","0.0011","90","","90","","90","","13159.7","1.4","90","2","90","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C50 H28 Co2.25 N18 O15.5 W1.5 -","- C400 H224 Co18 N144 O124 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71075","MoKα","","0.0505","0.0402","","","0.0998","0.1047","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510744","26.516","0.0003","26.516","0.0003","19.445","0.0003","90","","90","","90","","13671.7","0.3","293","2","293","2","","","","","","","","7","I 4/m","-I 4","87","","","","- C44 H24 Co2.25 N18 Na0 O8 W1.5 -","- C44 H30 Co2.25 N18 O10.23 W1.5 -","- C352 H240 Co18 N144 O81.84 W12 -","8","0.5","","Chorazy, Szymon; Podgajny, Robert; Nitek, Wojciech; Rams, Michał; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Supramolecular Chains and Coordination Nanowires Constructed of High-Spin CoII9WV6Clusters and 4,4′-bpdo Linkers","Crystal Growth & Design","2013","13","7","3036","","10.1021/cg400448x","","","0.71073","MoKα","","0.0742","0.0511","","","0.1209","0.1379","","","","","","1.146","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510745","8.244","0.0006","11.7351","0.0011","8.1982","0.0008","90","","90","","90","","793.13","0.12","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Cesium Lead Bromide","","","- Br3 Cs Pb -","- Br3 Cs Pb -","- Br12 Cs4 Pb4 -","4","0.5","","Stoumpos, Constantinos C.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Sebastian, Maria; Im, Jino; Chasapis, Thomas C.; Wibowo, Arief C.; Chung, Duck Young; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Crystal Growth of the Perovskite Semiconductor CsPbBr3: A New Material for High-Energy Radiation Detection","Crystal Growth & Design","2013","13","7","2722","","10.1021/cg400645t","","","0.71073","MoKα","","0.0458","0.0376","","","0.0891","0.0922","","","","","","1.276","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510746","15.182","0.003","9.7285","0.0019","19.24","0.004","90","","100.61","0.03","90","","2793.1","1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H23 Co2 N3 O9 -","- C26 H23 Co2 N3 O9 -","- C104 H92 Co8 N12 O36 -","4","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1166","0.0771","","","0.1261","0.1388","","","","","","1.157","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510747","10.975","0.002","12.139","0.002","13.728","0.003","67.25","0.03","80.94","0.03","70.26","0.03","1586.8","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H42 Co5 N8 O22 -","- C48 H38 Co5 N8 O22 -","- C48 H38 Co5 N8 O22 -","1","0.5","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.2032","0.1124","","","0.24","0.2937","","","","","","1.041","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510748","22.575","0.012","22.575","0.012","11.483","0.002","90","","90","","120","","5068","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H7 Co N O4 -","- C9 H7 Co N O4 -","- C162 H126 Co18 N18 O72 -","18","1","","Zhao, Jiong-Peng; Song, Wei-Chao; Zhao, Ran; Yang, Qian; Hu, Bo-Wen; Bu, Xian-He","Tuning the Subunits and Topologies in Cluster-Based Cobalt‒Organic Frameworks by Varying the Reaction Conditions","Crystal Growth & Design","2013","13","7","2858","","10.1021/cg4002626","","","0.71073","MoKα","","0.1394","0.0995","","","0.219","0.243","","","","","","1.147","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510749","9.7041","0.0004","11.4915","0.0005","12.1747","0.0005","71.122","0.001","69.098","0.001","74.057","0.001","1180.45","0.09","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 N6 O22 Zn3 -","- C44 H34 N6 O22 Zn3 -","- C44 H34 N6 O22 Zn3 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0341","0.028","","","0.0681","0.0716","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510750","9.6467","0.0005","11.4738","0.0007","12.0802","0.0007","71.245","0.001","70.156","0.001","74.92","0.001","1173.67","0.12","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H34 Co3 N6 O22 -","- C44 H34 Co3 N6 O22 -","- C44 H34 Co3 N6 O22 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0635","0.0462","","","0.1081","0.1189","","","","","","1.04","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510751","9.5962","0.0012","15.1199","0.0017","20.649","0.002","77.39","0.002","83.275","0.002","86.432","0.002","2901.6","0.6","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H92 Co6 N16 O46 -","- C120 H72 Co6 N16 O46 -","- C120 H72 Co6 N16 O46 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.1414","0.074","","","0.183","0.2204","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510752","9.9279","0.0004","15.4623","0.0005","20.6099","0.0007","77.156","0.001","83.149","0.001","87.838","0.001","3062.4","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C120 H90 Cd6 N16 O45 -","- C120 H72 Cd6 N16 O45 -","- C120 H72 Cd6 N16 O45 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0574","0.0415","","","0.1066","0.1166","","","","","","1.044","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510753","9.7258","0.0008","12.0425","0.0008","14.3006","0.0013","68.081","0.001","76.756","0.001","69.911","0.001","1449.5","0.2","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H36 Cu3 N8 O24 -","- C60 H36 Cu3 N8 O24 -","- C60 H36 Cu3 N8 O24 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.1418","0.0863","","","0.1649","0.2102","","","","","","1.051","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510754","10.1438","0.0007","11.2973","0.0009","14.1941","0.001","72.882","0.001","88.101","0.001","81.084","0.001","1535.63","0.19","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H56 N8 Ni3 O28 -","- C60 H56 N8 Ni3 O28 -","- C60 H56 N8 Ni3 O28 -","1","0.5","","Zhao, Shu-Na; Su, Sheng-Qun; Song, Xue-Zhi; Zhu, Min; Hao, Zhao-Min; Meng, Xing; Song, Shu-Yan; Zhang, Hong-Jie","A Series of Metal‒Organic Frameworks Constructed From a V-shaped Tripodal Carboxylate Ligand: Syntheses, Structures, Photoluminescent, and Magnetic Properties","Crystal Growth & Design","2013","13","7","2756","","10.1021/cg3018387","","","0.71073","MoKα","","0.0705","0.0449","","","0.0963","0.1083","","","","","","1.063","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510755","4.6756","0.0004","17.6317","0.0015","19.4992","0.0015","90","","94.523","0.008","90","","1602.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Febuxostat","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C64 H64 N8 O12 S4 -","4","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.092","0.0525","","","0.1027","0.1173","","","","","","0.974","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510756","6.9957","0.0005","11.6356","0.0011","13.7925","0.0011","102.644","0.007","91.221","0.006","90.41","0.007","1095.14","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-Nicotinamide","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid-pyridine-3-carboxamide : Nicotinamide (1:1)","","- C22 H22 N4 O4 S -","- C22 H22 N4 O4 S -","- C44 H44 N8 O8 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0741","0.0519","","","0.1213","0.1359","","","","","","1.025","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510757","8.4227","0.0009","11.1544","0.0012","12.9327","0.0014","79.689","0.002","81.524","0.002","68.22","0.002","1105.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-PABA","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : para-aminobenzoic acid (1:1)","","- C23 H23 N3 O5 S -","- C22.987 H23 N3 O5 S -","- C45.974 H46 N6 O10 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0432","0.0406","","","0.1049","0.1074","","","","","","1.038","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510758","10.8516","0.0004","23.667","0.0009","7.4362","0.0004","90","","95.29","0.004","90","","1901.67","0.14","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Febuxostat-Acetamide","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : acetaamide (1:1)","","- C18 H21 N3 O4 S -","- C18 H21 N3 O4 S -","- C72 H84 N12 O16 S4 -","4","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0488","0.04","","","0.0974","0.1025","","","","","","1.046","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510759","7.6525","0.0013","10.9684","0.0018","12.261","0.002","82.627","0.003","71.822","0.003","69.866","0.003","917.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Febuxostat-urea","2-(3-cyano-4-isobutyloxy)-phenyl-4-methyl-5-thiazolecarboxylic acid : urea (1:1)","","- C17 H20 N4 O4 S -","- C17 H20 N4 O4 S -","- C34 H40 N8 O8 S2 -","2","1","","Maddileti, D.; Jayabun, S. K.; Nangia, Ashwini","Soluble Cocrystals of the Xanthine Oxidase Inhibitor Febuxostat","Crystal Growth & Design","2013","13","7","3188","","10.1021/cg400583z","","","0.71073","MoKα","","0.0568","0.0496","","","0.1281","0.1333","","","","","","1.069","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510760","15.9717","0.0015","7.6328","0.0007","23.774","0.002","90","","96.924","0.002","90","","2877.1","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 Cd F6 N O4 S -","- C26 H14 Cd F6 N O4 S -","- C104 H56 Cd4 F24 N4 O16 S4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0345","0.0303","","","0.0934","0.097","","","","","","1.011","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510761","15.4994","0.0014","7.5708","0.0007","23.427","0.002","90","","96.993","0.002","90","","2728.5","0.4","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 F6 N O4 S Zn -","- C26 H14 F6 N O4 S Zn -","- C104 H56 F24 N4 O16 S4 Zn4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0487","0.0346","","","0.0845","0.0887","","","","","","1.099","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510762","15.4985","0.0011","7.5058","0.0005","23.5458","0.0017","90","","96.272","0.001","90","","2722.7","0.3","296","2","296","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C26 H14 Co F6 N O4 S -","- C26 H14 Co F6 N O4 S -","- C104 H56 Co4 F24 N4 O16 S4 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0419","0.0386","","","0.1323","0.1358","","","","","","1.036","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510763","12.9879","0.0016","6.2776","0.0008","19.104","0.0017","90","","114.325","0.006","90","","1419.3","0.3","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C26 H22 N2 O4 S2 Zn -","- C26 H22 N2 O4 S2 Zn -","- C52 H44 N4 O8 S4 Zn2 -","2","0.5","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0411","0.0369","","","0.1123","0.1147","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510764","13.7472","0.0012","21.8339","0.0019","15.9121","0.0014","90","","115.59","","90","","4307.6","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N2 O12 S4 Zn2 -","- C46 H28 N2 O12 S4 Zn2 -","- C184 H112 N8 O48 S16 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0952","0.0616","","","0.1789","0.2193","","","","","","1.143","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510765","14.3794","0.0012","23.893","0.002","15.9117","0.0011","90","","117.102","0.006","90","","4866.5","0.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 N2 O10 S2 Zn2 -","- C46 H28 N2 O10 S2 Zn2 -","- C184 H112 N8 O40 S8 Zn8 -","4","1","","Shi, Zhi-Qiang; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Six New 2D or 3D Metal‒Organic Frameworks Based on Bithiophene-Containing Ligand and Dicarboxylates: Syntheses, Structures, and Properties","Crystal Growth & Design","2013","13","7","3078","","10.1021/cg400490y","","","0.71073","MoKα","","0.0826","0.0576","","","0.1647","0.1747","","","","","","1.078","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510766","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C12 H8 N1.2 O21.8 P6 Zn5 -","- C48 H32 N4.8 O87.2 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0506","0.0358","","","0.1031","0.1079","","","","","","1.065","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4510767","8.43","0.005","16.155","0.012","19.84","0.011","90","","90","","90","","2702","3","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C12.5 H6 N0.5 O22 P6 Zn5 -","- C50 H24 N2 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.1105","0.0611","","","0.157","0.1869","","","","","","1.105","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4510768","8.44253","0.00017","16.285","0.0004","19.8132","0.0004","90","","90","","90","","2724.05","0.1","333","","333","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H6 N O22 P6 Zn5 -","- C12 H6 N O22 P6 Zn5 -","- C48 H24 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","0.0342","","","","","","","","1.78","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510769","8.29575","0.00018","16.4162","0.0004","19.7053","0.0005","90","","90","","90","","2683.56","0.11","423","","423","","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H10 N O18 P6 Zn5 -","- C12 H10 N O18 P6 Zn5 -","- C48 H40 N4 O72 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","powder diffraction","x-ray","0.6124","synchrotron","","4.69","","","","","","","","2.25","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510770","8.472","0.003","16.208","0.007","19.816","0.008","90","","90","","90","","2721","1.9","110","2","110","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C12 H14 N O22 P6 Zn5 -","- C12 H14 N O22 P6 Zn5 -","- C48 H56 N4 O88 P24 Zn20 -","4","0.25","","Kinnibrugh, Tiffany L.; Ayi, Ayi A.; Bakhmutov, Vladimir I.; Zoń, Jerzy; Clearfield, Abraham","Probing Structural Changes in a Phosphonate-based Metal‒Organic Framework Exhibiting Reversible Dehydration","Crystal Growth & Design","2013","13","7","2973","","10.1021/cg400399v","","","0.71073","MoKα","","0.0503","0.0337","","","0.0829","0.0871","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4510771","8.594","0.002","12.644","0.003","39.717","0.01","90","","90","","90","","4315.7","1.8","120.15","","120.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C43 H59 N O17 -","- C172 H236 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.09","0.0635","","","0.1331","0.1414","","","","","","1.034","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510772","10.287","0.002","32.938","0.008","12.78","0.003","90","","90.213","0.003","90","","4330.3","1.7","150.15","","150.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel dihydrate","","- C44 H58.5 N O16 -","- C44 H58.5 N O16 -","- C176 H234 N4 O64 -","4","2","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.139","0.0642","","","0.1341","0.1558","","","","","","0.936","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510773","12.608","0.003","8.6626","0.0019","20.353","0.004","90","","98.942","0.002","90","","2195.9","0.8","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Docetaxel hydrate ethanol solvate","","- C45 H60 N O16 -","- C45 H60 N O16 -","- C90 H120 N2 O32 -","2","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","","x-ray","0.6889","Synchrotron","","0.0531","0.0499","","","0.1396","0.1428","","","","","","1.041","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510774","8.6619","0.0008","12.7429","0.0009","39.838","0.004","90","","90","","90","","4397.2","0.7","","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel trihydrate","","- C43 H59 N O17 -","- C41.882 H38.822 N O17 -","- C167.528 H155.288 N4 O68 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.823","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510775","8.625","0.002","12.91","0.002","39.764","0.011","90","","90","","90","","4427.7","1.7","","","343.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H55 N O15 -","- C43 H52 N O15 -","- C172 H208 N4 O60 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.166","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510776","8.6078","0.0008","12.9231","0.0016","38.421","0.005","90","","90","","90","","4273.9","0.9","","","383.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Docetaxel monohydrate","","- C43 H53 N O14 -","- C43 H52 N O14 -","- C172 H208 N4 O56 -","4","1","","Vella-Zarb, Liana; Dinnebier, Robert E.; Baisch, Ulrich","The Devil is in the Detail: A Rare H-Bonding Motif in New Forms of Docetaxel","Crystal Growth & Design","2013","13","10","4402","","10.1021/cg400814a","powder diffraction","x-ray","1.54059","CuKα","","","","","","","","","","1.169","","","","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510778","10.8562","0.0002","8.0322","0.0001","14.1325","0.0003","90","","102.146","0.0008","90","","1204.76","0.04","153","","153","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H22 Cl2 N2 -","- C26 H22 Cl2 N2 -","- C52 H44 Cl4 N4 -","2","1","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.1173","","","","0.3859","","","","","","2.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510779","32.1445","0.0013","9.5074","0.0004","8.5267","0.0004","90","","104.161","0.002","90","","2526.66","0.19","153","","153","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 N2 O8 P2 -","- C26 H26 N2 O8 P2 -","- C104 H104 N8 O32 P8 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","0.8","synchrotron","","","0.0681","","","","0.205","","","","","","1.081","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510780","8.6135","0.00016","10.56801","0.00019","25.8505","0.0005","90","","90","","90","","2353.11","0.08","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H22 N4 O6 -","- C26 H22 N4 O6 -","- C104 H88 N16 O24 -","4","0.5","","Sugino, Misa; Araki, Yusuke; Hatanaka, Keisuke; Hisaki, Ichiro; Miyata, Mikiji; Tohnai, Norimitsu","Elucidation of Anthracene Arrangement for Excimer Emission at Ambient Conditions","Crystal Growth & Design","2013","13","11","4986","","10.1021/cg401166v","","","1.54187","CuKα","","","0.0439","","","","0.1128","","","","","","1.063","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510781","10.856","0.002","22.799","0.005","19.706","0.004","90","","99.49","0.03","90","","4810.6","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H53 Cu2 Nd2 O44 -","- C25 H5 Cu2 Nd2 O44 -","- C100 H20 Cu8 Nd8 O176 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0957","0.0713","","","0.1843","0.2081","","","","","","1.022","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510782","10.953","0.002","23.056","0.005","19.811","0.004","90","","99.88","0.03","90","","4928.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","x-ray","0.7383","synchrotron","","0.0557","0.0494","","","0.1544","0.1633","","","","","","1.033","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510783","11.006","0.002","23.228","0.005","19.847","0.004","90","","99.91","0.03","90","","4998.1","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H51 Cu2 La2 O43 -","- C25 H5 Cu2 La2 O43 -","- C100 H20 Cu8 La8 O172 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0829","0.0795","","","0.2065","0.2093","","","","","","1.042","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510784","10.923","0.002","22.771","0.005","19.758","0.004","90","","99.64","0.03","90","","4845","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H52 Cu2 O43.5 Sm2 -","- C25 H5 Cu2 O43.5 Sm2 -","- C100 H20 Cu8 O174 Sm8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7379","","","0.0684","0.062","","","0.173","0.1833","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510785","10.994","0.002","23.098","0.005","19.838","0.004","90","","99.89","0.03","90","","4962.8","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H49 Ce2 Cu2 O42 -","- C25 H5 Ce2 Cu2 O42 -","- C100 H20 Ce8 Cu8 O168 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.738","","","0.0712","0.0692","","","0.2005","0.2037","","","","","","1.062","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510786","10.899","0.002","20.334","0.004","19.785","0.004","90","","99.48","0.03","90","","4324.9","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Cu2 O39 Sm2 -","- C25 H5 Cu2 O39 Sm2 -","- C100 H20 Cu8 O156 Sm8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.73833","","","0.0595","0.0522","","","0.1502","0.1589","","","","","","1.103","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510787","10.9718","0.0002","20.2668","0.0003","19.7821","0.0005","90","","99.312","0.002","90","","4340.84","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Ce2 Cu2 O40 -","- C25 H5 Ce2 Cu2 O40 -","- C100 H20 Ce8 Cu8 O160 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.6889","synchrotron","","0.0517","0.0461","","","0.1213","0.1266","","","","","","1.027","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510788","10.927","0.002","20.391","0.004","19.807","0.004","90","","99.61","0.03","90","","4351.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H43 Cu2 Nd2 O39 -","- C25 H5 Cu2 Nd2 O39 -","- C100 H20 Cu8 Nd8 O156 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7383","","","0.0715","0.0426","","","0.1066","0.1224","","","","","","1.071","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510789","10.906","0.002","20.212","0.004","19.769","0.004","90","","99.22","0.03","90","","4301.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 O40 Pr2 -","- C25 H5 Cu2 O40 Pr2 -","- C100 H20 Cu8 O160 Pr8 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","x-ray","0.7513","synchrotron","","0.05","0.0476","","","0.1374","0.1396","","","","","","1.093","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510790","10.985","0.002","20.45","0.004","19.856","0.004","90","","99.73","0.03","90","","4396.4","1.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H45 Cu2 La2 O40 -","- C25 H5 Cu2 La2 O40 -","- C100 H20 Cu8 La8 O160 -","4","1","","Díaz-Gallifa, Pau; Fabelo, Oscar; Cañadillas-Delgado, Laura; Pasán, Jorge; Labrador, Ana; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Synthesis, Crystal Structure and Magnetic Characterization of a Series of CuII‒LnIIIHeterometallic [Ln = La, Ce, Pr, Nd and Sm) Metal‒Organic Compounds with an Unusual Single Crystal to Single Crystal Phase Transition","Crystal Growth & Design","2013","13","11","4735","","10.1021/cg4008679","","","0.7383","","","0.062","0.0587","","","0.1676","0.1729","","","","","","1.038","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510791","10.765","0.001","17.305","0.002","20.621","0.002","79.53","0.01","76.34","0.01","84.04","0.01","3663.2","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H40 Br Cl18 Fe N8 P2 -","- C76 H40 Br Cl18 Fe N8 P2 -","- C152 H80 Br2 Cl36 Fe2 N16 P4 -","2","1","","Konarev, Dmitri V.; Zorina, Leokadiya V.; Ishikawa, Manabu; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N.","Molecular Design of Anionic Phthalocyanines with π‒π Stacking Columnar Arrangement. Crystal Structures, Optical, and Magnetic Properties of Salts with the Iron(I) Hexadecachlorophthalocyanine Anions","Crystal Growth & Design","2013","13","11","4930","","10.1021/cg401118s","","","0.71073","MoKα","","0.2454","0.0782","","","0.1527","0.2318","","","","","","0.922","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510792","32.896","0.015","8.295","0.004","28.617","0.013","90","","122.446","0.007","90","","6590","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H11 Ag6 F15 N2 O11 -","- C22 H11 Ag6 F15 N2 O11 -","- C176 H88 Ag48 F120 N16 O88 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0702","0.0636","","","0.1808","0.1913","","","","","","1.087","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510793","14.9921","0.0013","15.8366","0.0014","18.8532","0.0016","79.38","0.002","70.681","0.002","62.268","0.001","3736.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H29 Ag9 F36 N4 O28 -","- C46 H29 Ag9 F36 N4 O28 -","- C92 H58 Ag18 F72 N8 O56 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.072","0.0498","","","0.1292","0.1459","","","","","","1.009","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510794","9.2284","0.0016","13.386","0.002","27.285","0.005","89.373","0.003","80.45","0.003","77.505","0.003","3244","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H24 Ag12 F24 N12 O16 -","- C38 H24 Ag12 F24 N12 O16 -","- C76 H48 Ag24 F48 N24 O32 -","2","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.1242","0.0982","","","0.2716","0.2936","","","","","","1.042","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510795","14.9692","0.0019","26.147","0.003","8.596","0.001","90","","90","","90","","3364.5","0.7","296","2","296","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C10 H8 Ag3 F6 N2 O4 -","- C10 H8 Ag3 F6 N2 O4 -","- C80 H64 Ag24 F48 N16 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0728","0.0476","","","0.1127","0.1319","","","","","","1.035","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510796","15.366","0.0009","17.267","0.001","9.884","0.0006","90","","90","","90","","2622.5","0.3","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C7 H3 Ag3 F6 N3 O4 -","- C7 H3 Ag3 F6 N3 O4 -","- C56 H24 Ag24 F48 N24 O32 -","8","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0456","0.0418","","","0.1117","0.1163","","","","","","0.983","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510797","8.0056","0.0007","26.24","0.002","18.0949","0.0016","90","","102.567","0.002","90","","3710.1","0.5","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Ag6 F15 N3 O10 -","- C28 H14 Ag6 F15 N3 O10 -","- C112 H56 Ag24 F60 N12 O40 -","4","1","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0988","0.053","","","0.1121","0.1339","","","","","","1.005","","","","has coordinates,has disorder","179654","2020-10-21","18:00:00",""
"4510798","28.5488","0.0014","11.5427","0.0005","35.637","0.002","90","","112.064","0.001","90","","10883.4","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H57 Ag12 F36 N16 O27 -","- C82 H57 Ag12 F36 N16 O27 -","- C328 H228 Ag48 F144 N64 O108 -","4","0.5","","Hu, Ting; Mak, Thomas C. W.","Structure Diversity of C2@AgnCages Consolidated by Heteroaromatic N-Donor Ligands in Silver Ethynediide Complexes","Crystal Growth & Design","2013","13","11","4957","","10.1021/cg401150t","","","0.71073","MoKα","","0.0928","0.0726","","","0.185","0.2023","","","","","","1.034","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510799","4.2509","0.0007","11.363","0.003","31.115","0.006","90","","90","","90","","1502.9","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0592","0.0497","","","0.1265","0.1368","","","","","","1.009","","","","has coordinates","179654","2020-10-21","18:00:00",""
"4510800","4.5532","0.0001","15.0996","0.0004","16.151","0.0005","90","","96.515","0.002","90","","1103.23","0.05","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C56 H44 N4 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0665","0.0417","","","0.1025","0.1122","","","","","","1.03","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510801","13.4793","0.0008","6.6293","0.0004","18.5481","0.0012","90","","108.54","0.002","90","","1571.41","0.17","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 O2 -","- C18 H17 N3 O2 -","- C72 H68 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0627","0.0436","","","0.111","0.1199","","","","","","1.014","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510802","30.2956","0.0011","8.2672","0.0003","26.5597","0.0009","90","","117.346","0.002","90","","5908.8","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C288 H240 N48 O32 -","16","2","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.1008","0.0523","","","0.1215","0.1405","","","","","","1.011","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510803","5.9682","0.0003","12.0166","0.0006","22.9633","0.0012","90","","90.091","0.004","90","","1646.87","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0691","0.0601","","","0.1723","0.1763","","","","","","1.122","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510804","3.8949","0.0001","25.1426","0.0008","16.8477","0.0005","90","","95.522","0.002","90","","1642.2","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C84 H66 N6 O12 -","6","1.5","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.1042","0.0413","","","0.0704","0.0856","","","","","","0.882","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510805","8.7529","0.0004","9.5545","0.0004","39.9926","0.0017","90","","90","","90","","3344.6","0.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C168 H136 N8 O24 -","8","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","1.54178","CuKα","","0.0403","0.0354","","","0.0925","0.096","","","","","","1.073","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510806","8.2469","0.0002","8.2333","0.0002","22.0039","0.0005","90","","95.544","0.002","90","","1487.06","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O2 -","- C18 H15 N3 O2 -","- C72 H60 N12 O8 -","4","1","","Zipp, Caitlin F.; Dirr, Heini W.; Fernandes, Manuel A.; Marques, Helder M.; Michael, Joseph P.","Polymorphic Diversity:N-Phenylbenzamide as a Possible Polymorphophore","Crystal Growth & Design","2013","13","8","3463","","10.1021/cg400356s","","","0.71073","MoKα","","0.0759","0.0409","","","0.1017","0.1148","","","","","","1.012","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510807","31.12","0.006","18.155","0.003","25.759","0.005","90","","122.213","0.003","90","","12313","4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H74 N2 O10 -","- C68 H74 N2 O10 -","- C544 H592 N16 O80 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1181","0.0976","","","0.2318","0.2461","","","","","","1.109","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510808","30.315","0.01","18.54","0.005","25.319","0.008","90","","118.325","0.004","90","","12527","7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H64 N O8 -","- C63 H64 N O8 -","- C504 H512 N8 O64 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1896","0.1201","","","0.2907","0.3192","","","","","","1.342","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510809","31.024","0.007","18.263","0.003","24.405","0.005","90","","119.87","0.03","90","","11991","5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C65 H68 N O9 -","- C65 H68 N O9 -","- C520 H544 N8 O72 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1172","0.091","","","0.2443","0.2587","","","","","","1.388","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510810","17.687","0.003","17.687","0.003","10.556","0.002","90","","90","","120","","2859.8","0.9","173","2","173","2","","","","","","","","3","P 3 c 1","P 3 -2""c","158","","","","- C60 H66 O9 -","- C60 H66 O9 -","- C120 H132 O18 -","2","0.333333","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.0725","0.0716","","","0.1854","0.1861","","","","","","1.157","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4510811","31.214","0.009","18.145","0.004","26.186","0.007","90","","122.923","0.003","90","","12449","6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C63 H63 N O8 -","- C63 H63 N O8 -","- C504 H504 N8 O64 -","8","1","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1063","0.084","","","0.2241","0.2385","","","","","","1.087","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510812","16.378","0.005","18.037","0.005","23.771","0.007","103.79","","102.499","0.004","111.865","0.004","5955","3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H76 O11 -","- C66 H76 O11 -","- C264 H304 O44 -","4","2","","Wang, Lian-Cheng; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Observation of a Persistent Supramolecular Synthon Involving Carboxyl Groups and H2O That Guides the Formation of Polycatenated Co-crystals of a Tritopic Carboxylic Acid and Bis(pyridyls)","Crystal Growth & Design","2013","13","1","1","","10.1021/cg301015a","","","0.71073","MoKα","","0.1905","0.1458","","","0.2936","0.3235","","","","","","1.502","","","","has coordinates,has disorder","179655","2020-10-21","18:00:00",""
"4517059","3.9533","0.0002","10.6197","0.0004","14.3961","0.0006","74.675","0.002","82.622","0.003","79.443","0.002","570.99","0.04","291","0.3","291","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Trzesowska-Kruszynska, Agata","Solvent-Free and Catalysis-Free Approach to the Solid State in Situ Growth of Crystalline Isoniazid Hydrazones","Crystal Growth & Design","2013","13","9","3892","","10.1021/cg400529s","","","1.54178","CuKα","","0.0353","0.0349","","","0.0962","0.0966","","","","","","1.109","","","","has coordinates","239716","2020-10-21","18:00:00",""
"4517061","7.3823","0.0003","8.4674","0.0003","10.4894","0.0004","77.886","0.001","86.838","0.002","87.937","0.002","639.9","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0975","0.0466","","","0.0755","0.0899","","","","","","0.928","","","","has coordinates","239718","2020-10-21","18:00:00",""
"4517062","7.519","0.0007","8.8836","0.0008","10.1342","0.0009","76.071","0.003","86.803","0.003","83.784","0.003","652.84","0.1","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1229","0.0467","","","0.0756","0.0951","","","","","","0.949","","","","has coordinates,has disorder","239719","2020-10-21","18:00:00",""
"4517063","7.4063","0.0004","8.5132","0.0005","10.4515","0.0006","77.693","0.002","86.876","0.002","87.493","0.002","642.53","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0598","0.0434","","","0.1072","0.1191","","","","","","1.049","","","","has coordinates,has disorder","239720","2020-10-21","18:00:00",""
"4517064","7.4235","0.0004","8.5698","0.0005","10.393","0.0005","77.478","0.002","86.938","0.002","86.79","0.002","643.86","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0827","0.0504","","","0.1212","0.1403","","","","","","1.015","","","","has coordinates,has disorder","239721","2020-10-21","18:00:00",""
"4517065","7.5049","0.0004","8.8598","0.0004","10.1573","0.0006","76.199","0.002","86.886","0.003","83.941","0.002","651.92","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1378","0.0486","","","0.0723","0.0922","","","","","","0.939","","","","has coordinates,has disorder","239722","2020-10-21","18:00:00",""
"4517066","7.5175","0.0003","8.8851","0.0003","10.1345","0.0004","76.054","0.002","86.817","0.002","83.763","0.002","652.78","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1015","0.051","","","0.113","0.1362","","","","","","1.015","","","","has coordinates,has disorder","239723","2020-10-21","18:00:00",""
"4517067","7.4793","0.0002","8.7829","0.0003","10.2316","0.0003","76.593","0.002","86.968","0.002","84.781","0.002","650.74","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0907","0.0466","","","0.1034","0.1225","","","","","","1.013","","","","has coordinates,has disorder","239724","2020-10-21","18:00:00",""
"4517068","7.5206","0.0004","8.8938","0.0004","10.1311","0.0006","76.016","0.002","86.818","0.003","83.775","0.002","653.37","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1287","0.0527","","","0.0932","0.1167","","","","","","1.003","","","","has coordinates,has disorder","239725","2020-10-21","18:00:00",""
"4517069","7.4924","0.0003","8.8522","0.0004","10.1725","0.0005","76.232","0.002","86.916","0.002","84.121","0.001","651.55","0.05","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0815","0.0601","","","0.0916","0.1018","","","","","","1.085","","","","has coordinates,has disorder","239726","2020-10-21","18:00:00",""
"4517070","7.4171","0.0002","8.5537","0.0003","10.4144","0.0003","77.547","0.001","86.928","0.001","87.005","0.001","643.69","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0634","0.0452","","","0.1088","0.121","","","","","","1.019","","","","has coordinates,has disorder","239727","2020-10-21","18:00:00",""
"4517071","7.4528","0.0003","8.6771","0.0003","10.316","0.0004","77.061","0.002","86.974","0.002","85.713","0.002","647.92","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0997","0.0458","","","0.0952","0.1166","","","","","","1.009","","","","has coordinates,has disorder","239728","2020-10-21","18:00:00",""
"4517072","7.4994","0.0004","8.8416","0.0004","10.1705","0.0005","76.24","0.002","86.882","0.002","84.146","0.002","651.29","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","- C30.969 H25.974 N1.998 O3.996 S1.998 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1448","0.0487","","","0.0773","0.0984","","","","","","0.934","","","","has coordinates,has disorder","239729","2020-10-21","18:00:00",""
"4517073","7.5078","0.0002","8.888","0.0003","10.1325","0.0003","76.029","0.001","86.784","0.001","83.779","0.001","651.96","0.03","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","- C31.031 H26.026 N2.002 O4.004 S2.002 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.0853","0.0509","","","0.1075","0.1256","","","","","","1.051","","","","has coordinates,has disorder","239730","2020-10-21","18:00:00",""
"4517074","9.6723","0.0004","8.5785","0.0004","31.5474","0.0014","90","","96.531","0.002","90","","2600.6","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C124 H104 N8 O16 S8 -","4","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71073","MoKα","","0.1054","0.0517","","","0.0941","0.108","","","","","","0.958","","","","has coordinates,has disorder","239731","2020-10-21","18:00:00",""
"4517075","7.519","0.005","8.898","0.005","10.122","0.005","76.022","0.005","86.781","0.005","83.761","0.005","652.9","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","- C31 H26 N2 O4 S2 -","1","1","","Khorasani, Sanaz; Fernandes, Manuel A.","Cooperativity and Feedback Mechanisms in the Single-Crystal-to-Single-Crystal Solid-State Diels‒Alder Reaction of 9-Methylanthracene with Bis(N-cyclobutylimino)-1,4-dithiin","Crystal Growth & Design","2013","13","12","5499","","10.1021/cg401474f","","","0.71069","MoKα","","0.1155","0.0557","","","0.0965","0.1208","","","","","","1.104","","","","has coordinates,has disorder","239732","2020-10-21","18:00:00",""
"9017412","12.353","","7.102","","25.733","","90.46","","99.78","","90.24","","2224.67","","","","","","","","","","","","theoretical","3","C 1","C 1","1","","","Vaterite","- C Ca O3 -","- C36 Ca36 O108 -","- C36 Ca36 O108 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:28",""
"9017413","12.358","","7.106","","25.741","","90.43","","99.88","","90.29","","2226.84","","","","","","","","","","","","theoretical","3","C 1","C 1","1","","","Vaterite","- C Ca O3 -","- C36 Ca36 O108 -","- C36 Ca36 O108 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:40",""
"9017414","12.245","","7.197","","9.305","","90","","115.16","","90","","742.224","","","","","","","","","","","","theoretical","3","C 1 2 1","C 2y","5","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:44",""
"9017415","12.281","","7.142","","9.371","","90","","115.48","","90","","741.993","","","","","","","","","","","","theoretical","3","C 1 c 1","C -2yc","9","","","Vaterite","- C Ca O3 -","- C12 Ca12 O36 -","- C12 Ca12 O36 -","","","","Demichelis, R.; Raiteri, P.; Gale, J. D.; Dovesi, R.","The multiple structures of vaterite","Crystal Growth & Design","2013","13","","2247","2251","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:58:47",""