# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:34:18+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'CrystEngComm') AND volume = 26 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
"1571179","10.2478","0.0006","19.9069","0.0014","35.264","0.002","90","","94.106","0.005","90","","7175.5","0.8","150","0.1","150.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H43 Fe O13 S32 -","- C53 H43 Fe O13 S32 -","- C212 H172 Fe4 O52 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1218","0.0862","","","0.2072","0.2425","","","","","","1.037","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571180","10.3279","0.0003","20.0206","0.0005","35.3409","0.0009","90","","92.91","0.007","90","","7298","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H39 Fe O14 S32 -","- C52 H39 Fe O14 S32 -","- C208 H156 Fe4 O56 S128 -","4","0.5","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.054","0.0382","","","0.0849","0.0919","","","","","","1.019","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571181","10.2331","0.001","11.1922","0.0009","35.2191","0.0014","89.485","0.005","86.524","0.006","62.861","0.009","3582.2","0.6","150","0.1","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H41 Fe O14 S32 -","- C53 H41 Fe O14 S32 -","- C106 H82 Fe2 O28 S64 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1749","0.1359","","","0.3833","0.4348","","","","","","1.514","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"1571182","11.1233","0.0002","11.5487","0.0002","35.1801","0.0006","89.381","0.006","85.771","0.006","69.934","0.005","4232.83","0.19","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Fe O14 S40 -","- C58 H50 Fe O15 S40 -","- C116 H100 Fe2 O30 S80 -","2","1","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","0.71075","MoKα","","0.0844","0.0595","","","0.1699","0.1863","","","","","","1.041","","","","has coordinates","290893","2024-04-04","23:08:27",""
"1571183","24.9368","0.0006","19.4844","0.0003","31.8267","0.001","90","","108.849","0.003","90","","14634.6","0.7","293","2","293","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C50 H37 Fe O12 S32 -","- C50 H37 Fe O12 S32 -","- C400 H296 Fe8 O96 S256 -","8","2","","Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee","Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate","CrystEngComm","2024","26","14","1962","1975","10.1039/D4CE00099D","","","1.54184","CuKα","","0.1527","0.0706","","","0.1774","0.2294","","","","","","0.962","","","","has coordinates,has disorder","290893","2024-04-04","23:08:27",""
"7247746","10.5827","0.0006","11.1323","0.0007","12.6983","0.0008","104.061","0.003","113.978","0.003","90.275","0.003","1316.85","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","- C42 H48 Mn4 N4 O20 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0874","0.0512","","","0.1236","0.1513","","","","","","0.82","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247747","7.8214","0.0005","9.9952","0.0006","10.4841","0.0007","94.868","0.002","105.897","0.002","94.543","0.002","780.92","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","- C30 H32 Mn2 N6 O8 -","1","0.5","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.0651","0.0478","","","0.1282","0.1463","","","","","","1.139","","","","has coordinates","289435","2024-02-04","11:36:18",""
"7247748","10.063","0.012","12.143","0.015","15.195","0.017","68.52","0.04","73.73","0.04","71.1","0.06","1607","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H28 Mn2 N6 O8 -","- C30 H28 Mn2 N6 O8 -","- C60 H56 Mn4 N12 O16 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1026","0.0684","","","0.1855","0.2105","","","","","","1.068","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247749","9.888","0.004","20.717","0.009","21.011","0.009","71.075","0.007","77.324","0.008","80.532","0.007","3952","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H60 Mn5 N12 O21 S5 -","- C69 H60 Mn5 N12 O21 S5 -","- C138 H120 Mn10 N24 O42 S10 -","2","1","","Kumar, Jayasree; Tarannum, Ibtesham; Zheng, Yan-Zhen; Singh, Saurabh Kumar; Mondal, Kartik Chandra","Assembly of MnIII ions into di-, tetra-, deca-nuclear coordination complexes, zero- to three-dimensional molecular frameworks: molecular spin flop to and short-range bulk magnetic spin flop ordering","CrystEngComm","2024","26","1","80","99","10.1039/D3CE00967J","","","0.71073","MoKα","","0.1419","0.095","","","0.2551","0.2944","","","","","","1.028","","","","has coordinates,has disorder","289435","2024-02-04","11:36:19",""
"7247754","9.7958","0.0004","7.7989","0.0003","14.7319","0.0006","90","","90","","90","","1125.47","0.08","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H5 N5 O2 -","- C3 H5 N5 O2 -","- C24 H40 N40 O16 -","8","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.08","0.0441","","","0.0918","0.1069","","","","","","1.028","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247755","4.0899","0.0018","8.238","0.005","20.69","0.011","96.88","0.02","90.38","0.04","95.16","0.03","689.2","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C4 H6 K2 N11 O6 -","- C4 H6 K2 N11 O6 -","- C8 H12 K4 N22 O12 -","2","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","1.34139","GaKα","","0.0293","0.0281","","","0.0802","0.0811","","","","","","1.075","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247756","9.0488","0.0014","13.078","0.002","6.7239","0.0012","90","","101.968","0.005","90","","778.4","0.2","296","2","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N10 -","- C4 H8 N10 -","- C16 H32 N40 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.0832","0.0678","","","0.1607","0.1707","","","","","","1.093","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247757","3.8946","0.0011","14.07","0.004","23.813","0.007","90","","92.162","0.009","90","","1304","0.6","180","2","179.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N12 O7 -","- C4 H11 N12 O7 -","- C16 H44 N48 O28 -","4","1","","Zhang, Lingfeng; Wang, Yu; Wang, Yefeng; Liu, Shuai; Zhang, Na; Yang, Mingmin; Ma, Haixia; Guo, Zhaoqi","N-Methylene-C bridged tetrazole and 1,2,4-triazole energetic salts as promising primary explosives","CrystEngComm","2024","26","2","143","152","10.1039/D3CE01051A","","","0.71073","MoKα","","0.1721","0.1056","","","0.2375","0.2709","","","","","","1.091","","","","has coordinates","289448","2024-02-04","11:39:15",""
"7247790","8.6333","0.0007","10.6401","0.0007","24.273","0.002","90","","90","","90","","2229.7","0.3","113","2","113.15","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.069","0.0518","","","0.1125","0.126","","","","","","1.063","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247791","12.5547","0.0008","11.7675","0.0006","7.7848","0.0006","90","","103.444","0.007","90","","1118.59","0.13","113","2","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Liu, Yumin; Gong, Junbo; Yan, Dongpeng; Wang, Jingkang","Insight into polymorphism in weakly polar systems using favorable connection motifs","CrystEngComm","2024","26","2","153","159","10.1039/D3CE00856H","","x-ray","0.71073","MoKα","","0.0607","0.0474","","","0.1138","0.1232","","","","","","1.044","","","","has coordinates","289450","2024-02-04","11:39:28",""
"7247796","9.366","0.0007","10.5136","0.0008","15.0815","0.0012","107.389","0.003","91.634","0.003","107.736","0.003","1338.12","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","- C54 H36 Co4 N4 O25 -","1","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.1134","0.0662","","","0.2087","0.2401","","","","","","1.06","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247797","18.995","0.004","11.667","0.003","16.273","0.003","90","","113.608","0.007","90","","3304.5","1.3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 N3 O15 Zn2 -","- C32 H27 N3 O15 Zn2 -","- C128 H108 N12 O60 Zn8 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0868","0.0567","","","0.1479","0.1633","","","","","","0.988","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247798","19.1756","0.0019","11.7383","0.0012","15.5273","0.0014","90","","111.057","0.003","90","","3261.6","0.6","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H27 Co2 N3 O15 -","- C32 H27 Co2 N3 O15 -","- C128 H108 Co8 N12 O60 -","4","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0887","0.0545","","","0.1353","0.1508","","","","","","1.05","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247799","19.5933","0.001","22.7256","0.0012","52.888","0.003","90","","90","","90","","23549","2","293","2","293","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C52 H59 N7 Ni2 O23 -","- C52 H37 N7 Ni2 O12 -","- C832 H592 N112 Ni32 O192 -","16","0.5","","Yang, Yuan-Yu; Xue, Jian-Hua; Yang, Dong-Dong; Zhang, Li-Yang; Ma, Qi; Zhao, Xuan","Effects of solvents and metal ions on the synthesis, structural diversity and magnetic properties of the 5′-nitro-[1,1′:3′,1′′-terphenyl]-3,3′′,5,5′′-tetracarboxylic acid ligand and a highly sensitive sensor for Fe3+","CrystEngComm","2024","26","2","170","179","10.1039/D3CE01076G","","","0.71073","MoKα","","0.0492","0.0384","","","0.0843","0.0897","","","","","","1.078","","","","has coordinates","289447","2024-02-04","11:39:07",""
"7247803","7.564","0.0002","21.9862","0.0006","17.8275","0.0004","90","","90","","90","","2964.78","0.13","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Cl5 N2 -","- C4 H15 Bi Cl5 N2 -","- C32 H120 Bi8 Cl40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0416","0.03","","","0.0719","0.0751","","","","","","1.02","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247804","7.6954","0.0002","22.2151","0.0008","17.9473","0.0005","90","","90","","90","","3068.16","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br2.27 Cl2.73 N2 -","- C4 H15 Bi Br2.259 Cl2.741 N2 -","- C32 H120 Bi8 Br18.072 Cl21.928 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0796","0.0438","","","0.0848","0.0924","","","","","","1.032","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247805","7.767","0.0003","22.3242","0.0008","18.0376","0.0006","90","","90","","90","","3127.58","0.19","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br3.13 Cl1.87 N2 -","- C4 H15 Bi Br3.125 Cl1.875 N2 -","- C32 H120 Bi8 Br25 Cl15 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","","0.71073","MoKα","","0.0506","0.0339","","","0.0622","0.066","","","","","","1.026","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247806","7.894","0.0002","22.4137","0.0007","18.2284","0.0006","90","","90","","90","","3225.22","0.17","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br5 N2 -","- C4 H15 Bi Br5 N2 -","- C32 H120 Bi8 Br40 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.098","0.0521","","","0.0843","0.0933","","","","","","1.016","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247807","7.6366","0.0002","22.1176","0.0008","17.8909","0.0005","90","","90","","90","","3021.83","0.16","293","2","293","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C4 H16 Bi Br1.18 Cl3.82 N2 -","- C4 H15 Bi Br1.187 Cl3.813 N2 -","- C32 H120 Bi8 Br9.496 Cl30.504 N16 -","8","0.5","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0627","0.0351","","","0.0668","0.0719","","","","","","0.975","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247808","18.2458","0.0005","22.4324","0.0007","7.8919","0.0002","90","","90","","90","","3230.13","0.16","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br5 N2 -","- C4 H16 Bi Br5 N2 -","- C32 H128 Bi8 Br40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0582","0.0381","","","0.0913","0.0993","","","","","","1.057","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247809","17.5689","0.0007","21.6639","0.0009","7.487","0.0003","90","","90","","90","","2849.6","0.2","90","2","90","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0342","0.0272","","","0.0598","0.0621","","","","","","1.021","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247810","17.7119","0.0005","22.0532","0.0007","7.5527","0.0002","90","","90","","90","","2950.12","0.15","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br2.12 Cl2.88 N2 -","- C4 H16 Bi Br2.13 Cl2.87 N2 -","- C32 H128 Bi8 Br17.04 Cl22.96 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0769","0.0714","","","0.1279","0.1332","","","","","","1.165","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247811","17.6291","0.0003","21.9787","0.0004","7.512","0.0001","90","","90","","90","","2910.63","0.08","90","2","90","2","","","","","","","","6","A e a 2","A 2 -2ab","41","","","","- C4 H16 Bi Br1.15 Cl3.85 N2 -","- C4 H16 Bi Br1.149 Cl3.851 N2 -","- C32 H128 Bi8 Br9.192 Cl30.808 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0418","0.0358","","","0.0796","0.082","","","","","","1.077","","","","has coordinates,has disorder","289452","2024-02-04","11:40:26",""
"7247812","17.5665","0.0004","7.4508","0.0002","22.164","0.0005","90","","90","","90","","2900.92","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H16 Bi Cl5 N2 -","- C4 H16 Bi Cl5 N2 -","- C32 H128 Bi8 Cl40 N16 -","8","1","","Pradhan, Abinash; Sahoo, Sanand; Samal, Saroj L.","(C2H5NH3)2BiCl5−xBrx perovskites containing 1D chains: effect of Br substitution on their structural and optical properties","CrystEngComm","2024","26","3","312","323","10.1039/D3CE01019H","","x-ray","0.71073","MoKα","","0.0816","0.0708","","","0.1064","0.1091","","","","","","1.07","","","","has coordinates","289452","2024-02-04","11:40:26",""
"7247813","14.7317","0.0013","15.1925","0.0014","20.7026","0.0019","97.426","0.002","105.699","0.002","93.95","0.002","4397","0.7","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C35 H59 Mn3.5 Mo12 N10 O71 P8 -","- C70 H118 Mn7 Mo24 N20 O142 P16 -","2","1","","Liu, Xiaodong; Xu, Na; Liu, Xiaohui; Guo, Yanyan; Wang, Xiuli","A new {P4Mo6}-based complex as a highly efficient heterogeneous catalyst for the oxidation of alkylbenzenes under mild conditions","CrystEngComm","2024","26","3","364","369","10.1039/D3CE01031G","","x-ray","0.71073","MoKα","K-L~3~","0.0452","0.0396","","","0.0946","0.0979","","","","","","1.069","","","","has coordinates,has disorder","289454","2024-02-04","11:40:41",""
"7247822","7.9718","0.0005","14.0812","0.0009","11.5373","0.0008","90","","95.204","0.002","90","","1289.75","0.15","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H29 Co N4 O13 P -","- C19 H29 Co N4 O13 P -","- C38 H58 Co2 N8 O26 P2 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0436","0.0333","","","0.063","0.0664","","","","","","0.977","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247823","6.7824","0.0006","13.8721","0.0012","15.7504","0.0014","68.453","0.003","89.86","0.003","80.963","0.003","1358.8","0.2","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","- C33 H63 Co2 N9 O32 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.1054","0.0644","","","0.155","0.178","","","","","","1.018","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247824","6.9314","0.001","13.624","0.002","15.739","0.002","115.138","0.004","93.184","0.004","96.631","0.005","1327.4","0.3","296.15","","296.15","","","","","","","","","6","P 1","P 1","1","","","","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","- C30 H50 Co2 N8 O27 P2 -","1","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","x-ray","0.71073","MoKα","","0.1442","0.0821","","","0.1723","0.2002","","","","","","1.019","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247825","11.7","0.002","31.93","0.006","11.774","0.002","90","","106.376","0.007","90","","4220.1","1.3","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C58 H82 Co2 N20 O30 P2 -","- C58 H82 Co2 N20 O30 P2 -","- C116 H164 Co4 N40 O60 P4 -","2","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0635","0.0534","","","0.1351","0.1402","","","","","","1.021","","","","has coordinates","289457","2024-02-04","11:41:59",""
"7247826","10.7744","0.0004","25.5061","0.0011","31.6431","0.0012","90","","90","","90","","8695.9","0.6","296.15","","296.15","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C27 H35 Cd N8 O14 P -","- C27 H35 Cd N8 O14 P -","- C216 H280 Cd8 N64 O112 P8 -","8","1","","Zhang, Menglei; Li, Zhongkui; Zhu, Yanhong; Yan, Li; Zhong, Xue; Zhang, Yijie; Li, Ziyao; Bai, Yixiang; Li, Hui","Mimic uracil–uracil base pairing: self-assembly and single crystal structure","CrystEngComm","2024","26","3","261","267","10.1039/D3CE01056B","","","0.71073","MoKα","","0.0601","0.0407","","","0.0922","0.0994","","","","","","1.032","","","","has coordinates,has disorder","289457","2024-02-04","11:41:59",""
"7247833","5.1004","0.0007","20.907","0.003","21.437","0.003","90","","94.484","0.004","90","","2278.9","0.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Cu N4 O9 -","- C27 H18 Cu N4 O9 -","- C108 H72 Cu4 N16 O36 -","4","1","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.157","0.0763","","","0.2069","0.2602","","","","","","1.02","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247834","13.3687","0.0006","19.6383","0.0009","12.8093","0.0005","90","","90","","90","","3362.9","0.3","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H24 Cu2 N6 O17 -","- C34 H24 Cu2 N6 O17 -","- C136 H96 Cu8 N24 O68 -","4","0.5","","Duan, Wen-Long; Yan, Ming-Yue; Yan, Feng; Luan, Jian","Fabrication of two 5-R-isophthalic acid-modulated Cu-based coordination polymers as urease inhibitors","CrystEngComm","2024","26","3","324","333","10.1039/D3CE01109G","","","0.71073","MoKα","","0.0799","0.0402","","","0.0922","0.1094","","","","","","1","","","","has coordinates","289451","2024-02-04","11:39:36",""
"7247836","19.0668","0.001","8.1886","0.0004","8.0487","0.0004","90","","91.561","0.003","90","","1256.18","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0701","0.0465","","","0.1097","0.1225","","","","","","1.044","","","","has coordinates","289458","2024-02-04","11:42:22",""
"7247837","47.13","0.004","5.0755","0.0004","23.567","0.002","90","","111.352","0.002","90","","5250.5","0.8","173","2","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C200 H272 N48 O48 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1011","0.0829","","","0.1916","0.1988","","","","","","1.183","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247838","19.888","0.004","8.2744","0.0015","8.3942","0.0015","90","","96.316","0.006","90","","1373","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 N3 O3 -","- C13 H18 N3 O3 -","- C52 H72 N12 O12 -","4","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.1118","0.0664","","","0.1659","0.1913","","","","","","1.032","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247839","7.9554","0.0004","13.7715","0.0008","14.6005","0.0008","72.874","0.003","75.014","0.003","84.453","0.003","1476.32","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H40 N6 O6 -","- C28 H40 N6 O6 -","- C56 H80 N12 O12 -","2","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.0783","0.0528","","","0.1317","0.149","","","","","","1.027","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247840","22.0145","0.0019","16.7461","0.0015","7.9045","0.0006","90","","100.476","0.003","90","","2865.5","0.4","173","2","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13.5 H19 N3 O3 -","- C13.5 H19 N3 O3 -","- C108 H152 N24 O24 -","8","1","","Scheepers, Matthew C.; Lemmerer, Andreas","The design of a series of cocrystals featuring dicarboxylic acid with a modified isoniazid derivative","CrystEngComm","2024","26","3","268","276","10.1039/D3CE00846K","","x-ray","0.71073","MoKα","","0.107","0.0506","","","0.1077","0.1354","","","","","","1.031","","","","has coordinates","289458","2024-02-04","11:42:32",""
"7247841","12.4347","0.0005","7.204","0.0003","33.7027","0.0013","90","","90","","90","","3019.1","0.2","150","0.1","150","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C152 H120 N24 O8 -","8","1","","Han, Chuchu; Yang, Jing; Zhang, Xin; Li, Aisen; Peng, Jiang","Dual control of passive light output direction by light and mechanical forces in elastic crystals","CrystEngComm","2024","26","2","203","208","10.1039/D3CE01021J","","x-ray","1.54178","CuKα","","0.069","0.0539","","","0.1338","0.149","","","","","","1.036","","","","has coordinates","289449","2024-02-04","11:39:21",""
"7247844","16.832","0.0014","14.5894","0.0016","23.725","0.003","90","","90","","90","","5826.1","1.1","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C32 H22 Co2 N4 O9 S6 -","- C32 H22 Co2 N4 O9 S6 -","- C128 H88 Co8 N16 O36 S24 -","4","0.5","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1094","0.0962","","","0.2823","0.2921","","","","","","1.134","","","","has coordinates","289456","2024-02-04","11:41:27",""
"7247845","15.156","0.003","18.378","0.002","15.9626","0.0018","90","","91.834","0.012","90","","4443.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 Co2 N8 O8 S4 -","- C36 H20 Co2 N8 O8 S4 -","- C144 H80 Co8 N32 O32 S16 -","4","1","","Duan, Chun-Pu; Ni, Ya-Lu; Yang, Xu-Dong; Huang, Jing-Yu; Shen, Yong-Hui; Gu, Xun-Gang; Ni, Gang; Ma, Miao-Lian; Li, Juan; Qin, Ling","Electrocatalytic hydrogen evolution of MOF-derived materials based on conjugated or unconjugated ligands","CrystEngComm","2024","26","3","370","380","10.1039/D3CE00829K","","","0.71073","MoKα","","0.1704","0.1141","","","0.2754","0.3041","","","","","","1.02","","","","has coordinates","289456","2024-02-04","11:41:37",""
"7247846","8.8956","0.0005","14.3091","0.0008","10.4218","0.0006","90","","92.766","0.002","90","","1325.02","0.13","298.27","","298.27","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 Co2 N4 O2 -","- C14 H26 Cl8 Co2 N4 O2 -","- C28 H52 Cl16 Co4 N8 O4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.032","0.0267","","","0.0626","0.0658","","","","","","1.059","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247847","8.9266","0.0008","14.2573","0.0012","10.4071","0.0009","90","","92.659","0.002","90","","1323.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 Cl8 N4 O2 Zn2 -","- C14 H25.98 Cl8 N4 O2 Zn2 -","- C28 H51.96 Cl16 N8 O4 Zn4 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0524","0.0489","","","0.1358","0.1396","","","","","","1.056","","","","has coordinates,has disorder","289453","2024-02-04","11:40:34",""
"7247848","9.1035","0.0008","5.0596","0.0004","23.3576","0.0019","90","","93.543","0.003","90","","1073.8","0.15","293.15","","293.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cl6 Cu N4 -","- C14 H22 Cl6 Cu N4 -","- C28 H44 Cl12 Cu2 N8 -","2","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0478","0.0394","","","0.0985","0.1034","","","","","","1.119","","","","has coordinates,has disorder","289453","2024-02-04","11:40:35",""
"7247849","6.3666","0.0003","9.1403","0.0005","11.6139","0.0006","74.548","0.002","88.019","0.002","80.64","0.002","642.71","0.06","293.15","","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","- C14 H26 Cl8 Cu2 N4 O2 -","1","0.5","","Li, Haitao; Guo, Zhenwei; Liu, Tie; Xin, Lianxin; Guo, Fang","Solid-state reaction among [CoCl4]2−, [CuCl4]2− and [CuCl4(H2O)]2− ions through transmetalation and liquid-assisted grinding","CrystEngComm","2024","26","3","381","387","10.1039/D3CE01038D","","","0.71073","MoKα","","0.0272","0.0256","","","0.0641","0.0651","","","","","","1.097","","","","has coordinates","289453","2024-02-04","11:40:35",""
"7247865","15.207","0.002","5.1052","0.0007","26.456","0.004","90","","99.547","0.005","90","","2025.5","0.5","109","","109","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Cl N O4 -","- C22 H24 Cl N O4 -","- C88 H96 Cl4 N4 O16 -","4","2","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0429","0.0389","","","0.1027","0.1061","","","","","","1.043","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247866","5.1261","0.0009","8.728","0.0014","29.053","0.005","90","","90","","90","","1299.8","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 I N O4 -","- C9 H16 I N O4 -","- C36 H64 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.0435","0.0411","","","0.1063","0.1086","","","","","","1.044","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247867","5.4467","0.0008","11.4173","0.0018","25.107","0.004","90","","90","","90","","1561.3","0.4","100","2","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H22 I N O4 -","- C12 H22 I N O4 -","- C48 H88 I4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0206","0.0194","","","0.0393","0.0396","","","","","","1.132","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247868","5.9666","0.0005","9.8723","0.0009","12.6022","0.0011","90","","93.118","0.003","90","","741.22","0.11","101","2","101","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","- C24 H44 Cl2 N2 O8 -","1","0.5","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0234","0.0231","","","0.0615","0.0617","","","","","","1.046","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247869","16.6588","0.0011","16.6588","0.0011","5.174","0.0005","90","","90","","120","","1243.5","0.17","110","","110","","","","","","","","","5","P 31","P 31","144","","","","- C15 H20 I N O4 -","- C15 H20 I N O4 -","- C45 H60 I3 N3 O12 -","3","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0295","0.0273","","","0.0641","0.0656","","","","","","1.036","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247870","9.224","0.0006","5.0773","0.0003","13.2741","0.0009","90","","107.467","0.002","90","","593","0.07","100","2","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H16 Cl N O4 -","- C9 H16 Cl N O4 -","- C18 H32 Cl2 N2 O8 -","2","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","0.71073","MoKα","","0.0219","0.0212","","","0.0527","0.0531","","","","","","1.075","","","","has coordinates","289440","2024-02-04","11:37:19",""
"7247871","5.1069","0.0015","11.791","0.003","26.327","0.008","90","","90","","90","","1585.3","0.8","105","2","105","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O4 -","- C15 H20 Cl N O4 -","- C60 H80 Cl4 N4 O16 -","4","1","","De Beer, Francois J.; Jacobs, Frederick J. F.; Ntsila, Akho; Kama, Dumisani V.; Azov, Vladimir A.","Analysis of short contacts in crystals of halogenated amino acids: atom–atom interactions vs. energy frameworks","CrystEngComm","2024","26","5","604","619","10.1039/D3CE01029E","","","1.54178","CuKα","","0.1294","0.0802","","","0.1981","0.2465","","","","","","1.061","","","","has coordinates,has disorder","289440","2024-02-04","11:37:19",""
"7247877","9.9297","0.0001","10.5228","0.0001","21.8433","0.0003","94.3066","0.0007","95.3186","0.0006","107.106","0.0006","2159.41","0.04","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H40 Cd2 N6 O15 -","- C43 H40 Cd2 N6 O15 -","- C86 H80 Cd4 N12 O30 -","2","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.0539","0.0346","","","0.0626","0.0687","","","","","","1.014","","","","has coordinates","289445","2024-02-04","11:38:41",""
"7247878","20.134","0.004","20.134","0.004","38.292","0.008","90","0.03","90","0.03","120","0.03","13443","6","296","2","296","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C72 H96 Cd3 N12 O39 -","- C72 H90 Cd3 N12 O39 -","- C432 H540 Cd18 N72 O234 -","6","0.333333","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.1134","0.0582","","","0.1069","0.1292","","","","","","1.032","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247879","10.6729","0.0002","27.5687","0.0004","13.9401","0.0002","90","","108.001","0.0009","90","","3900.94","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H36 Cd N6 O9 -","- C41 H36 Cd N6 O9 -","- C164 H144 Cd4 N24 O36 -","4","1","","Chen, Chia-Ling; Wang, Song-Wei; Zhong, Shih-Ying; Chen, Jhy-Der","Cd(ii) coordination polymers constructed from tris-pyridyl-tris-amide and polycarboxylic acid: synthesis, structures and sensing properties","CrystEngComm","2024","26","4","431","438","10.1039/D3CE01096A","","","0.71073","MoKα","","0.112","0.0498","","","0.0966","0.1148","","","","","","1.006","","","","has coordinates,has disorder","289445","2024-02-04","11:38:41",""
"7247886","10.7851","0.0004","5.4371","0.0002","22.4992","0.001","90","","91.358","0.004","90","","1318.98","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cd N12 O14 -","- C18 H14 Cd N12 O14 -","- C36 H28 Cd2 N24 O28 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","x-ray","0.71073","MoKα","","0.0476","0.0351","","","0.0767","0.0868","","","","","","0.9008","","","","has coordinates","289446","2024-02-04","11:38:53",""
"7247887","10.5932","0.0002","5.3285","0.0001","22.3376","0.0005","90","","92.928","0.002","90","","1259.22","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N12 O14 Zn -","- C18 H14 N12 O14 Zn -","- C36 H28 N24 O28 Zn2 -","2","0.5","","Singla, Priyanka; Soni, Pramod Kumar; Singh, Arjun; Sahoo, Subash Chandra","Constructing energetic coordination polymers through mixed-ligand strategy: way to achieve reduced sensitivity with significant energetic performance","CrystEngComm","2024","26","4","494","503","10.1039/D3CE01043K","","","0.71073","MoKα","","0.0419","0.0342","","","0.0902","0.094","","","","","","1.054","","","","has coordinates","289446","2024-02-04","11:38:54",""
"7247888","18.8181","0.0008","18.8181","0.0008","23.6351","0.0007","90","","90","","120","","7248.4","0.5","150","0.1","150","0.1","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H18 Cu N4 O9 -","- C20 H12 Cu N4 O9 -","- C120 H72 Cu6 N24 O54 -","6","0.5","","Dai, Wen; Zhang, Chuanming; Yang, Xiaoang; Li, Lincai","Highly efficient iodine uptake and iodate selective probe in a 3D honeycomb-like copper–organic framework based on in situ ligand transformation","CrystEngComm","2024","26","6","773","782","10.1039/D3CE01169K","","x-ray","1.54184","CuKα","","0.0649","0.0527","","","0.1432","0.1527","","","","","","1.071","","","","has coordinates","290144","2024-03-04","20:07:33",""
"7247889","9.6542","0.0007","15.3891","0.0012","16.7669","0.0016","90","","97.803","0.003","90","","2468","0.4","100","","100","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C18 H22 Cl2 Cu N8 O10 -","- C18 H22 Cl2 Cu N8 O10 -","- C72 H88 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0746","0.0691","","","0.1728","0.1771","","","","","","1.037","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247890","19.535","0.0009","14.0069","0.0007","10.0241","0.0005","90","","90.699","0.002","90","","2742.6","0.2","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 B2 F8 N8 O2 Zn -","- C20 H30 B2 F8 N8 O2 Zn -","- C80 H120 B8 F32 N32 O8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0715","0.0686","","","0.1955","0.199","","","","","","1.082","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247891","18.3983","0.0014","18.9979","0.0014","10.4012","0.0007","90","","97.843","0.007","90","","3601.5","0.5","150","","150","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 F6 N8 O11 S2 Zn -","- C26 H18 F6 N8 O8 S2 Zn -","- C104 H72 F24 N32 O32 S8 Zn4 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.1651","0.099","","","0.2564","0.3139","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247892","18.58","0.003","16.19","0.002","9.4572","0.0013","90","","92.654","0.011","90","","2841.8","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 Cu N8 O10 -","- C20 H30 Cl2 Cu N8 O10 -","- C80 H120 Cl8 Cu4 N32 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.128","0.0782","","","0.2024","0.2453","","","","","","1.103","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247893","6.8471","0.0004","7.8394","0.0005","16.1936","0.0009","77.929","0.004","85.53","0.004","80.67","0.004","837.89","0.09","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","- C28 H26 Cu F6 N8 O8 S2 -","1","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.142","0.1185","","","0.2791","0.2945","","","","","","1.039","","","","has coordinates,has disorder","289442","2024-02-04","11:37:43",""
"7247894","9.8837","0.0005","12.5723","0.0006","13.0446","0.0007","85.637","0.002","84.688","0.002","88.395","0.002","1608.94","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 N8 O11 Zn -","- C26 H26 Cl2 N8 O10 Zn -","- C52 H52 Cl4 N16 O20 Zn2 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0491","0.0483","","","0.1272","0.1279","","","","","","1.044","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247895","18.5166","0.0011","16.2958","0.0009","9.3201","0.0005","90","","92.768","0.004","90","","2809","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl2 N8 Ni O10 -","- C20 H30 Cl2 N8 Ni O10 -","- C80 H120 Cl8 N32 Ni4 O40 -","4","0.5","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0821","0.0602","","","0.1639","0.1818","","","","","","1.058","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247896","9.8467","0.0006","12.6342","0.0008","12.9571","0.0008","85.731","0.003","85.591","0.004","88.909","0.003","1602.56","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 Cl2 Co N8 O11 -","- C26 H26 Cl2 Co N8 O10 -","- C52 H52 Cl4 Co2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.082","0.0763","","","0.211","0.2201","","","","","","1.094","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247897","10.0299","0.0012","13.9025","0.0017","19.959","0.002","90","","90","","90","","2783.1","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C20 H30.5 Cl2 Fe N8 O10.25 -","- C80 H122 Cl8 Fe4 N32 O41 -","4","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0798","0.0615","","","0.1639","0.1765","","","","","","1.061","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247898","9.7671","0.0008","12.2209","0.001","13.5331","0.0012","87.818","0.005","81.123","0.005","83.122","0.004","1584.2","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24.5 Cl3.5 Mn N8 O10.5 -","- C24 H22 Cl2 Mn N8 O10 -","- C48 H44 Cl4 Mn2 N16 O20 -","2","1","","Donaldson, Marryllyn E.; Dais, Tyson N.; Rowlands, Gareth J.; Matheson, Brodie E.; Plieger, Paul G.","Adaptable 2,5-bis((1,2,3-triazol-4-yl)methoxy)pyrazine ligands for the simple self-assembly of homoleptic 1D coordination polymers","CrystEngComm","2024","26","4","504","516","10.1039/D3CE01143G","","","1.54178","CuKα","","0.0575","0.0518","","","0.1239","0.1273","","","","","","1.049","","","","has coordinates","289442","2024-02-04","11:37:43",""
"7247904","24.217","0.003","42.642","0.004","8.474","0.001","90","","90","","90","","8750.8","1.7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C22 H24 Br F N4 O2 -","- C22 H24 Br F N4 O2 -","- C352 H384 Br16 F16 N64 O32 -","16","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0427","0.0349","","","0.0797","0.0828","","","","","","1.046","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247905","9.789","0.001","9.937","0.001","12.479","0.001","75.4","0.01","82.79","0.01","75.88","0.03","1136.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H27 Br F N4 O4 -","- C24 H27 Br F N4 O4 -","- C48 H54 Br2 F2 N8 O8 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0505","0.0442","","","0.1404","0.1469","","","","","","1.09","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247906","8.929","0.001","12.655","0.001","28.459","0.001","80.46","0.02","89.09","0.01","71.38","0.03","3002.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H76 Br2 F2 N8 O14.5 -","- C58 H76 Br2 F2 N8 O14.5 -","- C116 H152 Br4 F4 N16 O29 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.1627","0.0687","","","0.1329","0.167","","","","","","1.019","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247907","8.866","0.001","14.05","0.001","14.358","0.001","117.44","0.02","94.18","0.03","95.2","0.03","1567.4","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H42 Br F N4 O7 -","- C31 H42 Br F N4 O7 -","- C62 H84 Br2 F2 N8 O14 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0521","0.0384","","","0.0918","0.0979","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247908","8.913","0.001","12.55","0.001","14.54","0.001","100.34","0.01","96.88","0.01","91.489","0.001","1586.6","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H40 Br F N4 O9 -","- C28 H40 Br F N4 O9 -","- C56 H80 Br2 F2 N8 O18 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0758","0.0419","","","0.0902","0.0981","","","","","","1.023","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247909","10.149","0.001","13.513","0.002","13.857","0.002","113.16","0.01","106.52","0.01","98.22","0.01","1603.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H42 Br F N4 O6 -","- C32 H42 Br F N4 O6 -","- C64 H84 Br2 F2 N8 O12 -","2","1","","Bandaru, Ravi Kumar; Giri, Lopamudra; Krishna, Gamidi Rama; Dandela, Rambabu","Novel molecular adducts of an anti-cancer drug vandetanib with enhanced solubility","CrystEngComm","2024","26","3","248","260","10.1039/D3CE01130E","","","0.71073","MoKα","","0.0263","0.0242","","","0.0645","0.0656","","","","","","1.062","","","","has coordinates","289455","2024-02-04","11:41:03",""
"7247910","11.9478","0.0013","11.6849","0.0013","19.94","0.02","90","","90","","90","","2784","3","298","","298","","570000","","570000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1403","0.1108","","","0.312","0.3642","","","","","","1.547","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247911","11.4952","0.0015","19.71","0.03","11.7143","0.0018","90","","91.02","0.013","90","","2654","4","298","2","293","2","1050000","","1050000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1852","0.1242","","","0.3226","0.3682","","","","","","1.256","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247912","11.4968","0.0017","19.231","0.003","11.6579","0.0012","90","","91.196","0.011","90","","2576.9","0.6","298","2","298","2","1740000","","1740000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.16","0.1136","","","0.3225","0.3667","","","","","","1.374","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247913","11.4453","0.0014","18.97","0.02","11.5585","0.0017","90","","91.276","0.013","90","","2509","3","298","2","298","2","2320000","","2320000","","","","","2","P 1 21/c 1","-P 2ybc","14","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1739","0.1211","","","0.3115","0.3489","","","","","","1.25","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247914","12.179","0.0017","11.8019","0.0017","20.61","0.03","90","","90","","90","","2962","4","298","","298","","220000","","220000","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.1709","0.116","","","0.3033","0.3662","","","","","","1.358","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247915","12.182","0.0004","11.79","0.0004","20.8728","0.0008","90","","90","","90","","2997.87","0.18","298","","298","","101.325","","101.325","","","","","2","P n a 21","P 2c -2n","33","C6Ph6","Hexaphenylbenzene","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Turner, Gemma F.; Stapleton, Nicholas; Brookes, James; Spagnoli, Dino; Sussardi, Alif N.; Jones, Anita C.; McGonigal, Paul R.; Moggach, Stephen A.","The crystal structure of hexaphenylbenzene under high hydrostatic pressure","CrystEngComm","2024","26","4","459","467","10.1039/D3CE01122D","","x-ray","0.71073","MoKα","","0.0561","0.0407","","","0.0946","0.1022","","","","","","1.046","","","","has coordinates","289443","2024-02-04","11:38:15",""
"7247916","9.2164","0.0001","12.1632","0.0002","9.8754","0.0001","90","","96.584","0.001","90","","1099.74","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H9 Br N16 O16 -","- C10 H9 Br N16 O16 -","- C20 H18 Br2 N32 O32 -","2","1","","Jing, Suming; Deng, Jiahao; Li, Cong; Liu, Yucun; Zhu, Jin; Wang, Yuanyuan; Zhang, Wei; Liu, Jia","High energy explosive with low sensitivity: a new energetic cocrystal based on CL-20 and BMDNP","CrystEngComm","2024","26","8","1126","1132","10.1039/D3CE01118F","","x-ray","1.54184","CuKα","","0.0215","0.0211","","","0.0556","0.0559","","","","","","1.062","","","","has coordinates","290139","2024-03-04","20:06:16",""
"7247923","9.9684","0.0011","10.4769","0.0012","11.0045","0.0012","89.147","0.004","87.966","0.004","62.592","0.004","1019.6","0.2","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C6 H10 N3 O6 Tc -","- C6 H10 N3 O6 Tc -","- C24 H40 N12 O24 Tc4 -","4","4","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.1041","0.0743","","","0.1584","0.1786","","","","","","1.031","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247924","9.2915","0.0003","17.0748","0.0005","19.5885","0.0005","90","","90","","90","","3107.73","0.16","100.15","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 N3 O6 Re -","- C6 H10 N3 O6 Re -","- C72 H120 N36 O72 Re12 -","12","3","","Novikov, Anton P.; Safonov, Alexey V.; German, Konstantin E.; Grigoriev, Mikhail S.","What kind of interactions we may get moving from zwitter to “dritter” ions: C–O⋯Re(O4) and Re–O⋯Re(O4) anion⋯anion interactions make structural difference between l-histidinium perrhenate and pertechnetate","CrystEngComm","2024","26","1","61","69","10.1039/D3CE01164J","","","0.71073","MoKα","","0.0421","0.0318","","","0.0505","0.0535","","","","","","0.969","","","","has coordinates","288580","2023-12-31","23:58:23",""
"7247925","12.8068","0.0002","9.5159","0.0001","16.9226","0.0002","90","","111.994","0.002","90","","1912.24","0.05","300.15","","300.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H9 Br2 N O5 Zn -","- C11 H9 Br2 N O5 Zn -","- C44 H36 Br8 N4 O20 Zn4 -","4","1","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0327","0.03","","","0.0898","0.0916","","","","","","1.117","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247926","28.4852","0.0003","28.4852","0.0003","7.9052","0.0001","90","","90","","120","","5554.97","0.11","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br O4 Zn -","- C8 H3 Br O4 Zn -","- C144 H54 Br18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0622","0.0613","","","0.1998","0.201","","","","","","1.133","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247927","28.4445","0.0005","28.4445","0.0005","7.8224","0.0001","90","","90","","120","","5481.09","0.15","295.15","","295.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Cl O4 Zn -","- C8 H3 Cl O4 Zn -","- C144 H54 Cl18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.0515","0.0492","","","0.1553","0.1576","","","","","","1.124","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247928","11.0562","0.0002","12.6155","0.0002","15.2102","0.0003","90","","90","","90","","2121.51","0.07","295.15","","295.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H8 O5 Zn -","- C10 H8 O5 Zn -","- C80 H64 O40 Zn8 -","8","2","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","0.71073","MoKα","","0.0392","0.0307","","","0.0733","0.0761","","","","","","1.056","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247929","28.5799","0.0004","28.5799","0.0004","8.0913","0.0001","90","","90","","120","","5723.61","0.13","290.15","","290.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C8 H3 I O4 Zn -","- C8 H3 I O4 Zn -","- C144 H54 I18 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","","1.54184","CuKα","","0.067","0.0666","","","0.2117","0.2121","","","","","","1.118","","","","has coordinates","289439","2024-02-04","11:37:07",""
"7247930","28.4902","0.0004","28.4902","0.0004","7.9073","0.0001","90","","90","","120","","5558.4","0.13","295.01","0.1","295.01","0.1","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C8 H3 Br0.41 Cl0.59 O4 Zn -","- C8 H3 Br0.408 Cl0.592 O4 Zn -","- C144 H54 Br7.344 Cl10.656 O72 Zn18 -","18","0.5","","Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.","Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.","CrystEngComm","2024","26","5","673","680","10.1039/d3ce01078c","","x-ray","1.54184","CuKα","","0.056","0.0541","","","0.1769","0.1792","","","","","","1.104","","","","has coordinates,has disorder","289439","2024-02-04","11:37:07",""
"7247932","10.3592","0.0002","10.3592","0.0002","20.7675","0.0008","90","","90","","120","","1930.04","0.09","243","2","243","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C6 H9 K5 N10 O6 -","- C6 H9 K5 N10.0005 O6 -","- C24 H36 K20 N40.002 O24 -","4","0.333333","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.0353","0.0267","","","0.0573","0.0621","","","","","","1.136","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247933","23.7161","0.0016","7.198","0.0007","20.5953","0.0018","90","","90","","90","","3515.8","0.5","170","","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 F18 K8 N10 O12 -","- C12 F18 K8 N10 O12 -","- C48 F72 K32 N40 O48 -","4","1","","Jiang, Shuaijie; Zhou, Jianxin; Xu, Yuangang; Lin, Qiuhan; Wang, Pengcheng; Lu, Ming","Regulation of the structure and density of KN5 frameworks with CH3COOK and CF3COOK","CrystEngComm","2024","26","7","951","956","10.1039/D3CE01210G","","","0.71073","MoKα","","0.1244","0.0728","","","0.1817","0.2271","","","","","","1.023","","","","has coordinates,has disorder","290149","2024-03-04","20:08:26",""
"7247947","9.515","0.003","12.609","0.004","11.115","0.004","90","","103.185","0.008","90","","1298.4","0.7","296.25","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 N6 O -","- C10 H20 N6 O -","- C40 H80 N24 O4 -","4","1","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","0.71073","MoKα","","0.1561","0.0596","","","0.1493","0.2125","","","","","","1.01","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247948","6.2573","0.0006","13.544","0.0013","7.2073","0.0009","90","","92.963","0.011","90","","609.99","0.11","293","2","293.15","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C6 H16 N12 O -","- C6 H16 N12 O -","- C12 H32 N24 O2 -","2","0.5","","Jiang, Tianyu; Xia, Honglei; Zhang, Wenquan; Cai, Ziwu; Song, Siwei; Liu, Tianlin","Can cage-like cations function as antagonistic ions towards pentazolate anions?","CrystEngComm","2024","26","7","977","984","10.1039/D3CE01168B","","","1.54184","CuKα","","0.0718","0.0637","","","0.1799","0.2043","","","","","","1.056","","","","has coordinates","290153","2024-03-04","20:09:44",""
"7247952","5.0351","0.0002","25.7114","0.001","8.667","0.0003","90","","106.89","0.004","90","","1073.63","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","1.54184","CuKα","","0.0561","0.0505","","","0.1278","0.1334","","","","","","1.054","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247953","5.0339","0.0002","16.1821","0.0008","16.2812","0.0007","90","","90","","90","","1326.25","0.1","200","2","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C32 H60 N12 O16 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","","1.54184","CuKα","","0.044","0.0408","","","0.1029","0.1062","","","","","","1.066","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247954","4.9438","0.0001","17.0476","0.0003","8.7107","0.0002","90","","105.326","0.002","90","","708.03","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H21 N3 O5 S -","- C10 H21 N3 O5 S -","- C20 H42 N6 O10 S2 -","2","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0369","0.0338","","","0.0868","0.0886","","","","","","1.044","","","","has coordinates","290152","2024-03-04","20:09:31",""
"7247955","5.024","0.0001","8.6623","0.0003","14.2346","0.0009","96.682","0.004","95.901","0.004","106.738","0.003","583.12","0.05","294.15","","294.15","","","","","","","","","4","P 1","P 1","1","","","","- C8 H15 N3 O4 -","- C8 H15 N3 O4 -","- C16 H30 N6 O8 -","2","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0826","0.0771","","","0.2056","0.2189","","","","","","1.084","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7247956","10.066","0.0005","16.1694","0.0007","16.1972","0.0006","90","","90","","90","","2636.3","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 O5 -","- C10 H21 N3 O5 -","- C80 H168 N24 O40 -","8","2","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0914","0.0587","","","0.1195","0.1375","","","","","","1.03","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247957","5.0124","0.0003","15.2769","0.001","16.3628","0.001","90","","90","","90","","1252.96","0.13","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H19 N3 O6 -","- C8 H19 N3 O6 -","- C32 H76 N12 O24 -","4","1","","Fu, Jinqiu; Cai, Mengyang; Shi, Yuzhong; Hou, Yihang; Guo, Rongxi; Wang, Chiyi; Zhao, Jingjing; Zhuang, Wei; Ying, Hanjie; Yang, Pengpeng; Zhang, Keke","Discovery and exploration of new solid forms of dipeptide: l-alanyl-l-glutamine","CrystEngComm","2024","26","7","943","950","10.1039/D3CE00957B","","x-ray","0.71073","MoKα","","0.0928","0.0559","","","0.11","0.1313","","","","","","1.035","","","","has coordinates,has disorder","290152","2024-03-04","20:09:31",""
"7247958","7.3734","0.0018","10.207","0.002","21.402","0.005","99.812","0.005","98.717","0.005","102.962","0.006","1516.2","0.6","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C28 H33 Cl N6 O6.81 -","- C28 H33 Cl N6 O6.805 -","- C56 H66 Cl2 N12 O13.61 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1265","0.0585","","","0.1594","0.2079","","","","","","1.016","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247959","9.3478","0.0002","12.5278","0.0002","25.5542","0.0004","90","","91.676","0.001","90","","2991.3","0.09","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Domperidone mandelate dihydrate","Domperidone mandelate dihydrate","","- C30 H36 Cl N5 O7 -","- C30 H36 Cl N5 O7 -","- C120 H144 Cl4 N20 O28 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1754","0.0588","","","0.1392","0.1928","","","","","","0.943","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247960","9.454","0.002","12.248","0.003","12.77","0.003","90.05","0.007","107.616","0.006","98.32","0.006","1392.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate","Domperidone mandelate","","- C30 H32.24 Cl N5 O5 -","- C30 H32.237 Cl N5 O5 -","- C60 H64.474 Cl2 N10 O10 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1641","0.0666","","","0.1591","0.2057","","","","","","1.029","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247961","7.5379","0.0004","11.3926","0.0006","15.869","0.0008","99.679","0.002","102.801","0.002","91.935","0.002","1306.4","0.12","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone orotate","Domperidone orotate","","- C27 H28 Cl N7 O6 -","- C27 H28 Cl N7 O6 -","- C54 H56 Cl2 N14 O12 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1688","0.0545","","","0.1162","0.1545","","","","","","0.927","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247962","7.4744","0.0002","10.1384","0.0002","21.5088","0.0005","102.006","0.0007","94.2351","0.0008","104.624","0.0009","1528.79","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone salicylate hydrate","Domperidone salicylate hydrate","","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","- C58 H70 Cl2 N10 O15 -","1","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1703","0.0572","","","0.1423","0.1751","","","","","","1.014","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247963","7.3045","0.0002","10.2362","0.0002","21.8241","0.0005","80.9935","0.0007","82.5939","0.0007","79.5884","0.0007","1576.61","0.06","294","2","294","2","","","","","","","","5","P -1","-P 1","2","Domperidone mandelate hydrate","Domperidone mandelate hydrate","","- C30 H36 Cl N5 O7.27 -","- C30 H36 Cl N5 O7.268 -","- C60 H72 Cl2 N10 O14.536 -","2","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1624","0.053","","","0.1446","0.1887","","","","","","0.982","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247964","14.471","0.005","17.466","0.006","11.749","0.004","90","","92.939","0.006","90","","2965.7","1.8","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone nicotinate hydrate","Domperidone nicotinate hydrate","","- C56 H66 Cl2 N12 O13 -","- C56 H66 Cl2 N12 O13 -","- C112 H132 Cl4 N24 O26 -","2","0.5","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.1473","0.0687","","","0.1861","0.2394","","","","","","1.015","","","","has coordinates,has disorder","290150","2024-03-04","20:08:39",""
"7247965","9.7232","0.0002","9.501","0.0002","31.7204","0.0005","90","","92.0116","0.0007","90","","2928.53","0.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Domperidone aspirin","Domperidone aspirin","","- C31 H32 Cl N5 O6 -","- C31 H32 Cl N5 O6 -","- C124 H128 Cl4 N20 O24 -","4","1","","Nechipadappu, Sunil Kumar; Swain, Debasish","New drug–drug and drug–nutraceutical salts of anti-emetic drug domperidone: structural and physicochemical aspects of new salts","CrystEngComm","2024","26","7","926","942","10.1039/D3CE01000G","","","0.71073","MoKα","","0.0894","0.0532","","","0.1297","0.1508","","","","","","1.045","","","","has coordinates","290150","2024-03-04","20:08:39",""
"7247967","12.4945","0.0001","12.4945","0.0001","12.4945","0.0001","90","","90","","90","","1950.55","0.03","293","2","293","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Ca2.855 Ga3.045 Nb1.665 O12 Yb0.0325 -","- Ca2.8548 Ga3.0444 Nb1.665 O12 Yb0.0324 -","- Ca22.8384 Ga24.3552 Nb13.32 O96 Yb0.2592 -","8","0.0833333","","Li, Xiaoheng; Lu, Dazhi; Wang, Shuxian; Wu, Kui; Yu, Haohai; Li, Jing; Zhang, Huaijin","Growth of 60 mm-diameter Yb:CNGG single crystals with disordered coordination structure for high-energy laser systems","CrystEngComm","2024","26","5","697","703","10.1039/D3CE01151H","","","0.71073","MoKα","","0.0179","0.0178","","","0.0558","0.0559","","","","","","1.046","","","","has coordinates","289441","2024-02-04","11:37:27",""
"7247968","10.196","0.005","12.292","0.005","13.672","0.005","71.38","0.005","73.265","0.005","66.095","0.005","1459.4","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 Cu N6 O8 -","- C23 H22 Cu N6 O8 -","- C46 H44 Cu2 N12 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0395","0.0336","","","0.087","0.0908","","","","","","1.096","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247969","10.18","0.001","10.728","0.001","19.078","0.0013","85.594","0.007","77.042","0.007","81.97","0.008","2008.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H34 Cu2 N10 O13 -","- C37 H34 Cu2 N10 O13 -","- C74 H68 Cu4 N20 O26 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0774","0.0584","","","0.1584","0.1773","","","","","","1.033","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247970","9.6099","0.0006","23.7989","0.0016","11.1127","0.0007","90","","96.2","0.006","90","","2526.7","0.3","280","2","280","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cu N6 O7 -","- C25 H24 Cu N6 O7 -","- C100 H96 Cu4 N24 O28 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0685","0.0469","","","0.1041","0.1141","","","","","","1.041","","","","has coordinates","289436","2024-02-04","11:36:30",""
"7247971","14.3344","0.0008","9.9511","0.0004","34.0401","0.0015","90","","96.508","0.005","90","","4824.3","0.4","120","2","120","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C47 H35 Cu2 N12 O14.48 -","- C47 H35 Cu2 N12 O14.464 -","- C188 H140 Cu8 N48 O57.856 -","4","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","0.71073","MoKα","","0.0845","0.0692","","","0.1647","0.175","","","","","","1.088","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247972","9.2705","0.0004","10.1686","0.0005","20.8317","0.0012","81.868","0.004","82.682","0.004","86.369","0.004","1926.13","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H22 Cu2 N8 O8 -","- C35 H22 Cu2 N8 O8 -","- C70 H44 Cu4 N16 O16 -","2","1","","Oliveira, Willian X. C.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.","Effects on the magnetic interaction caused by molecular recognition in complexes of 1,2-azole-based oxamate and [Cu(bpca)]+ units","CrystEngComm","2024","26","5","647","665","10.1039/D3CE01180A","","","1.54184","CuKα","","0.0824","0.0562","","","0.1318","0.1439","","","","","","0.985","","","","has coordinates,has disorder","289436","2024-02-04","11:36:30",""
"7247973","25.3903","0.0015","14.1304","0.0006","9.1996","0.0006","90","","99.658","0.005","90","","3253.8","0.3","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Br Hg I2 N2 O -","- C12 H9 Br Hg I2 N2 O -","- C96 H72 Br8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0862","0.064","","","0.1406","0.1517","","","","","","1.023","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247974","22.68","0.002","4.9699","0.0003","27.573","0.003","90","","123.819","0.007","90","","2582.1","0.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0956","0.0763","","","0.1102","0.1248","","","","","","1.004","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247975","4.5421","0.0003","21.7134","0.0019","19.3708","0.0013","90","","92.541","0.006","90","","1908.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Hg3 I8 N4 O2 -","- C24 H18 Hg3 I8 N4 O2 -","- C48 H36 Hg6 I16 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0815","0.064","","","0.1055","0.1276","","","","","","0.912","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247976","4.5326","0.0004","21.434","0.0012","19.1582","0.0016","90","","92.076","0.007","90","","1860","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C24 H18 Br2 Hg3 I6 N4 O2 -","- C48 H36 Br4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.08","0.0528","","","0.1174","0.1283","","","","","","1.028","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247977","38.52","0.007","4.8018","0.0008","14.841","0.002","90","","100.118","0.013","90","","2702.4","0.8","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Cl2 Hg I2 N4 O2 -","- C24 H18 Cl2 Hg I2 N4 O2 -","- C96 H72 Cl8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1476","0.0719","","","0.1196","0.1426","","","","","","0.909","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247978","25.08","0.006","14.097","0.004","9.2","0.002","90","","100.394","0.018","90","","3199.3","1.4","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 Cl Hg I2 N2 O -","- C12 H9 Cl Hg I2 N2 O -","- C96 H72 Cl8 Hg8 I16 N16 O8 -","8","1","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0986","0.0861","","","0.1658","0.1952","","","","","","0.895","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247979","24.3489","0.0018","4.92","0.0006","28.395","0.002","90","","125.751","0.004","90","","2760.6","0.5","294","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Hg I2 N4 O2 -","- C24 H18 Br2 Hg I2 N4 O2 -","- C96 H72 Br8 Hg4 I8 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0772","0.0489","","","0.1203","0.128","","","","","","0.885","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247980","23.569","0.003","4.9189","0.0004","27.722","0.003","90","","124.465","0.007","90","","2649.8","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br4 Hg N4 O2 -","- C24 H18 Br4 Hg N4 O2 -","- C96 H72 Br16 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0909","0.0705","","","0.1562","0.1761","","","","","","1.011","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247981","23.266","0.003","4.9212","0.0004","27.288","0.003","90","","124.251","0.008","90","","2582.6","0.5","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C24 H18 Br2 Cl2 Hg N4 O2 -","- C96 H72 Br8 Cl8 Hg4 N16 O8 -","4","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.1017","0.0701","","","0.168","0.1853","","","","","","0.971","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247982","4.5347","0.0004","21.3006","0.0012","19.0448","0.0015","90","","91.533","0.007","90","","1838.9","0.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C24 H18 Cl2 Hg3 I6 N4 O2 -","- C48 H36 Cl4 Hg6 I12 N8 O4 -","2","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.915","0.0906","","","0.1101","0.1419","","","","","","0.939","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247983","8.0015","0.0012","9.2079","0.0013","12.4641","0.0018","98.279","0.012","100.092","0.012","108.027","0.011","840.2","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","- C20 H18 Hg2 I6 N8 O4 -","1","0.5","","Amani, Vahid; Esmaeili, Maryam; Norouzi, Fataneh; Khavasi, Hamid Reza","A strategy for obtaining isostructurality despite structural diversity in coordination compounds","CrystEngComm","2024","26","4","543","556","10.1039/D3CE01106B","","","0.71073","MoKα","","0.0857","0.0627","","","0.1611","0.1713","","","","","","0.926","","","","has coordinates","289444","2024-02-04","11:38:30",""
"7247984","5.1554","0.0001","8.9641","0.0003","9.1377","0.0004","100.539","0.003","104.874","0.003","90.936","0.002","400.36","0.02","168","2","168","2","","","","","","","","5","P -1","-P 1","2","sodiun zincophosphate chloride","","","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl0.5 Na4.5 O8 P2 Zn -","- Cl Na9 O16 P4 Zn2 -","2","1","","Yakubovich, Olga; Kiriukhina, Galina; Volkov, Anatoly; Simonov, Sergey; Yapaskurt, Vasiliy; Dimitrova, Olga","Crystal chemistry and predicted ionic conductivity of hydrothermally synthesized Na9Zn2(PO4)4Cl","CrystEngComm","2024","26","6","848","855","10.1039/D3CE01242E","","","0.71073","MoKα","","0.0175","0.0167","","","0.045","0.0454","","","","","","1.188","","","","has coordinates","290146","2024-03-04","20:07:47",""
"7247989","15.6078","0.0008","19.1265","0.001","24.1307","0.0008","90","","110.387","0.002","90","","6752.3","0.5","188","","188","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 N7 O19 Tb Zn2 -","- C66 H80 N7 O19 Tb Zn2 -","- C264 H320 N28 O76 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.041","0.0366","","","0.0997","0.1022","","","","","","1.036","","","","has coordinates","290151","2024-03-04","20:09:12",""
"7247990","12.3634","0.0007","18.1775","0.0011","16.4172","0.0008","90","","100.662","0.0019","90","","3625.8","0.3","191","","191","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0465","0.0425","","","0.104","0.1075","","","","","","1.043","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247991","12.3427","0.0011","18.1743","0.0013","16.3681","0.0014","90","","100.677","0.003","90","","3608.1","0.5","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 Mn2 N7 O15 Tb -","- C62 H60 Cl12 Mn2 N7 O15 Tb -","- C124 H120 Cl24 Mn4 N14 O30 Tb2 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0498","0.0436","","","0.1072","0.1128","","","","","","1.01","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247992","15.2744","0.0006","15.3918","0.0005","26.2915","0.0009","90","","90","","90","","6181.1","0.4","188","","188","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C60 H64 Cl4 N7 O15 Tb Zn2 -","- C240 H256 Cl16 N28 O60 Tb4 Zn8 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0292","0.0273","","","0.0624","0.0632","","","","","","1.028","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247993","12.1126","0.0009","18.5566","0.0014","16.3863","0.0011","90","","98.127","0.002","90","","3646.1","0.5","188","","188","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0592","0.0428","","","0.1052","0.1209","","","","","","1.066","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247994","15.7164","0.0008","15.9773","0.0009","24.5892","0.0012","90","","90","","90","","6174.5","0.6","188","","188","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C61 H72 Mn2 N7 O18 Tb -","- C61 H72 Mn2 N7 O18 Tb -","- C244 H288 Mn8 N28 O72 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0204","0.0194","","","0.0512","0.0523","","","","","","0.424","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247995","12.0645","0.0006","18.5409","0.0011","16.4406","0.0008","90","","98.0231","0.0016","90","","3641.5","0.3","192","","192","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C62 H64 Cl12 N7 O15 Tb Zn2 -","- C124 H128 Cl24 N14 O30 Tb2 Zn4 -","2","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0846","0.045","","","0.0999","0.1441","","","","","","1.129","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247996","23.9154","0.0018","17.9234","0.0014","16.4008","0.0011","90","","98.864","0.002","90","","6946.2","0.9","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C62 H68 Cl8 Mn2 N7 O15 Tb -","- C248 H272 Cl32 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0779","0.0589","","","0.1404","0.1498","","","","","","1.065","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7247997","11.8404","0.0017","11.8606","0.0014","14.328","0.002","104.939","0.004","90.305","0.004","117.451","0.004","1707","0.4","188","","188","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H84 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","- C66 H80 Mn2 N7 O19 Tb -","1","0.5","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0253","0.0238","","","0.071","0.0729","","","","","","1.147","","","","has coordinates,has disorder","290151","2024-03-04","20:09:19",""
"7247998","18.4535","0.0008","14.872","0.0005","25.4136","0.0008","90","","115.697","0.002","90","","6284.7","0.4","188","","188","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C60 H64 Cl4 Mn2 N7 O15 Tb -","- C240 H256 Cl16 Mn8 N28 O60 Tb4 -","4","1","","Takahara, Kazuma; Horino, Yuki; Wada, Koki; Sakata, Hiromu; Tomita, Daichi; Sunatsuki, Yukinari; Isobe, Hiroshi; Kojima, Masaaki; Suzuki, Takayoshi","The effect of solvent molecules on crystallisation of heterotrinuclear MII–TbIII–MII complexes with tripodal nonadentate ligands","CrystEngComm","2024","26","7","1004","1014","10.1039/D3CE01192E","","","0.71075","MoKα","","0.0311","0.0242","","","0.0604","0.0634","","","","","","1.044","","","","has coordinates","290151","2024-03-04","20:09:19",""
"7248001","9.5818","0.0004","10.4568","0.0005","11.5348","0.0005","114.713","0.002","94.029","0.002","96.506","0.002","1034.22","0.08","100","","100","","","","","","","","","7","P -1","-P 1","2","","UmeRitter2","","- C19 H8 F3 Mo N O5 S2 -","- C19 H8 F3 Mo N O5 S2 -","- C38 H16 F6 Mo2 N2 O10 S4 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0243","0.0216","","","0.0541","0.0558","","","","","","1.076","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248002","18.1737","0.0007","10.1525","0.0003","25.8418","0.0007","90","","90.06","0.002","90","","4768","0.3","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","TNSUmeF2","","- C20 H8 Cl2 F5 Mo N O5 S -","- C20 H8 Cl2 F5 Mo N O5 S -","- C160 H64 Cl16 F40 Mo8 N8 O40 S8 -","8","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.055","0.0462","","","0.0929","0.0966","","","","","","1.185","","","","has coordinates","289438","2024-02-04","11:36:51",""
"7248003","10.1988","0.0004","10.2849","0.0004","13.3894","0.0005","73.18","0.001","85.274","0.002","62.991","0.002","1195.77","0.08","105","","105","","","","","","","","","9","P -1","-P 1","2","","","","- C20 H9 Cl2 F3 Mo0.822 N2 O7 S W0.178 -","- C20 H9 Cl2 F3 Mo0.82222 N2 O7 S W0.17778 -","- C40 H18 Cl4 F6 Mo1.64444 N4 O14 S2 W0.35556 -","2","1","","Streit, Tim-Niclas; Gomila, Rosa M.; Sievers, Robin; Frontera, Antonio; Malischewski, Moritz","CF3-substituted sulfonium cations as efficient chalcogen bond donors towards cyanometalates","CrystEngComm","2024","26","5","594","598","10.1039/D3CE01155K","","","0.71073","MoKα","","0.0444","0.0366","","","0.0966","0.1096","","","","","","1.1098","","","","has coordinates,has disorder","289438","2024-02-04","11:36:51",""
"7248004","7.9881","0.0008","6.0289","0.0004","9.0193","0.001","90","","100.291","0.009","90","","427.38","0.07","296","","296","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 F2 I -","- C3 F2 I -","- C12 F8 I4 -","4","1","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0361","0.0327","","","0.0818","0.0848","","","","","","1.08","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248005","43.551","0.0012","4.45154","0.00019","11.3608","0.0004","90","","90.067","0.003","90","","2202.51","0.14","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C80 F48 I16 -","8","2","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","x-ray","0.71073","MoKα","","0.1114","0.0956","","","0.2158","0.2243","","","","","","1.167","","","","has coordinates,has disorder","290145","2024-03-04","20:07:41",""
"7248006","10.2667","0.0009","6.0444","0.0004","8.9912","0.0006","90","","94.075","0.007","90","","556.55","0.07","113","","113","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 F6 I2 -","- C10 F6 I2 -","- C20 F12 I4 -","2","0.5","","Ohtsuka, Naoya; Ota, Hino; Sugiura, Satoshi; Kakinuma, Shuya; Sugiyama, Haruki; Suzuki, Toshiyasu; Momiyama, Norie","Perfluorohalogenated naphthalenes: synthesis, crystal structure, and intermolecular interaction","CrystEngComm","2024","26","6","764","772","10.1039/D3CE01124K","","","0.71073","MoKα","","0.0433","0.0332","","","0.0711","0.0755","","","","","","1.055","","","","has coordinates","290145","2024-03-04","20:07:41",""
"7248013","6.6611","0.0007","36.847","0.003","6.6223","0.0008","90","","91.048","0.009","90","","1625.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Ga3 K3 S20 Si7 -","- Ga3 K3 S20 Si7 -","- Ga6 K6 S40 Si14 -","2","0.5","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0967","0.0549","","","0.0955","0.1117","","","","","","1.044","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248014","6.9955","0.0009","7.4508","0.0009","14.2302","0.0014","87.204","0.009","81.546","0.009","69.495","0.011","687.16","0.15","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- K2 S8 Si3 Zn -","- K2 S8 Si3 Zn -","- K4 S16 Si6 Zn2 -","2","1","","Liu, Jia-Ting; Ablez, Abdusalam; Hu, Qian-Qian; Tang, Jun-Hao; Lv, Chuan; Yang, Lu; Feng, Mei-Ling; Huang, Xiao-Ying","Alkali halide flux synthesis, crystal structure, and photoelectric response of quaternary thiosilicates K3Ga3Si7S20 and K2ZnSi3S8","CrystEngComm","2024","26","5","691","696","10.1039/D3CE00960B","","","0.71073","MoKα","","0.0818","0.0573","","","0.116","0.1294","","","","","","1.122","","","","has coordinates","289437","2024-02-04","11:36:37",""
"7248022","17.513","0.004","14.247","0.003","14.249","0.003","90","","112.7","0.03","90","","3279.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 N6 O11 Zn -","- C33 H34 N6 O11 Zn -","- C132 H136 N24 O44 Zn4 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.037","0.0332","","","0.0841","0.0853","","","","","","1.077","","","","has coordinates","290148","2024-03-04","20:08:08",""
"7248023","14.608","0.002","14.608","0.002","24.244","0.005","90","","90","","120","","4480.4","1.3","153","2","153","2","","","","","","","","5","P -3","-P 3","147","","","","- C74 H84 N14 Ni3 O31 -","- C66 H60 N12 Ni3 O24 -","- C132 H120 N24 Ni6 O48 -","2","0.333333","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1829","0.1458","","","0.3727","0.4034","","","","","","1.389","","","","has coordinates","290148","2024-03-04","20:08:16",""
"7248024","11.732","0.002","23.592","0.005","14.243","0.003","90","","111.45","0.03","90","","3669.1","1.5","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C70 H66 N16 O24 Zn3 -","- C70 H66 N15.999 O23.997 Zn3 -","- C140 H132 N31.998 O47.994 Zn6 -","2","0.5","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.7","synchrotron","","0.1247","0.0766","","","0.2322","0.2678","","","","","","1.072","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248025","21.1949","0.0018","18.9263","0.0018","22.497","0.002","90","","105.855","0.002","90","","8681.1","1.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C82 H84 Cu3 N14 O26 -","- C82 H82 Cu3 N14 O26 -","- C328 H328 Cu12 N56 O104 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.71073","MoKα","","0.1717","0.1061","","","0.2706","0.3305","","","","","","1.075","","","","has coordinates,has disorder","290148","2024-03-04","20:08:17",""
"7248026","17.551","0.004","14.217","0.003","14.235","0.003","90","","112.49","0.03","90","","3281.8","1.4","223","2","223","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H34 Co N6 O11 -","- C33 H34 Co N6 O11 -","- C132 H136 Co4 N24 O44 -","4","1","","Kim, Gyeongmin; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Construction and catalytic effects of solvent- and metal(ii)-dependent products: the process of transformation of 0D structures into 3D structures","CrystEngComm","2024","26","7","918","925","10.1039/D3CE01298K","","","0.63","synchrotron","","0.1329","0.0631","","","0.1092","0.1256","","","","","","0.851","","","","has coordinates","290148","2024-03-04","20:08:17",""
"7248027","7.5135","0.0002","12.1526","0.0006","14.5092","0.0004","92.374","0.003","99.647","0.002","96.671","0.003","1294.73","0.08","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 I2 N3 O2 Zn -","- C25 H23 I2 N3 O2 Zn -","- C50 H46 I4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","x-ray","0.71073","MoKα","","0.0416","0.0337","","","0.0686","0.0748","","","","","","1.041","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248028","7.3928","0.0003","11.9818","0.0004","14.0657","0.0004","93.806","0.003","99.114","0.003","95.971","0.003","1219.16","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Br2 N3 O2 Zn -","- C25 H23 Br2 N3 O2 Zn -","- C50 H46 Br4 N6 O4 Zn2 -","2","1","","Xia, Zhong-Gang; Shi, Yong-Sheng; Xiao, Tong; Zheng, Xiang-Jun","Multi-stimuli responsive behavior of two Zn(ii) complexes based on a Schiff base with high contrast","CrystEngComm","2024","26","7","1015","1021","10.1039/D3CE01214J","","","0.71073","MoKα","","0.0499","0.039","","","0.0948","0.1016","","","","","","1.062","","","","has coordinates","290147","2024-03-04","20:07:54",""
"7248033","6.5961","0.0017","7.3355","0.0015","11.576","0.002","97.689","0.009","104.047","0.011","99.886","0.011","526.2","0.2","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H8 N12 O2 -","- C4 H8 N12 O2 -","- C8 H16 N24 O4 -","2","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","1.54178","CuKα","","0.0391","0.0359","","","0.1013","0.104","","","","","","1.03","","","","has coordinates","290143","2024-03-04","20:07:20",""
"7248034","9.6066","0.0006","19.859","0.0014","4.6599","0.0002","90","","90","","90","","889","0.09","173","2","173.1","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C4 H8 Cl N7 O2 -","- C4 H8 Cl N7 O2 -","- C16 H32 Cl4 N28 O8 -","4","1","","Tang, Mingjie; Yin, Zhaoyang; Zeng, Zhiwei; Dong, Yaqun; Huang, Wei; Liu, Yuji; Tang, Yongxing","A desirable coplanar energetic pentazolate salt driven by hydrogen bonds","CrystEngComm","2024","26","6","748","752","10.1039/D3CE01234D","","","0.71073","MoKα","","0.0399","0.0316","","","0.0612","0.0638","","","","","","1.075","","","","has coordinates","290143","2024-03-04","20:07:21",""
"7248035","8.3969","0.0001","10.2061","0.0001","31.5288","0.0004","90","","90","","90","","2702.01","0.05","212.99","0.1","213.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H38 N2 O7 -","- C31 H38 N2 O7 -","- C124 H152 N8 O28 -","4","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.54184","CuKα","","0.0448","0.0417","","","0.1139","0.1201","","","","","","1.099","","","","has coordinates,has disorder","290141","2024-03-04","20:06:37",""
"7248036","11.7266","0.0006","11.7266","0.0006","21.9372","0.0016","90","","90","","90","","3016.7","0.3","150","","150.15","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","matrine-h2o","","- C15 H27.5 N2 O2.75 -","- C15 H26 N2 O2 -","- C120 H208 N16 O16 -","8","1","","Zhu, Yujing; Shi, Xiaoju; Li, Duanxiu; Li, Shuang; Wang, Lin; Deng, Zongwu; Huang, Shaohua; Zhang, Hailu","Sustained release of matrine via salt formation with hesperetin","CrystEngComm","2024","26","8","1090","1098","10.1039/D3CE01129A","","","1.34139","GaKα","","0.0412","0.0339","","","0.0787","0.0826","","","","","","1.035","","","","has coordinates","290141","2024-03-04","20:06:37",""
"7248040","7.1182","0.0012","22.582","0.004","5.9936","0.001","90","","103.469","0.005","90","","936.9","0.3","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Cu F N O4 -","- C9 H8 Cu F N O4 -","- C36 H32 Cu4 F4 N4 O16 -","4","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0488","0.0324","","","0.0724","0.078","","","","","","1.058","","","","has coordinates","290898","2024-04-04","23:09:45",""
"7248041","26.796","0.005","26.796","0.005","7.4941","0.0014","90","","90","","120","","4660","1.5","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Cu I N O3 -","- C9 H6 Cu I N O3 -","- C162 H108 Cu18 I18 N18 O54 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0386","0.0309","","","0.0783","0.0845","","","","","","1.045","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248042","26.8602","0.0006","26.8602","0.0006","7.2007","0.0005","90","","90","","120","","4499.1","0.3","296","2","296.15","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9 H6 Br Cu N O3.056 -","- C9 H6 Br Cu N O3.05556 -","- C162 H108 Br18 Cu18 N18 O55.0001 -","18","1","","Manurkar, Nagesh; Su, Hao; Arshad, Faiza; Li, Zhongkui; Li, Hui","Construction of MOF-74 analogues through pre-installation of functional ligands: efficient directional functionalization and properties","CrystEngComm","2024","26","11","1540","1549","10.1039/D4CE00008K","","","0.71073","MoKα","","0.0446","0.0324","","","0.0857","0.0931","","","","","","1.0462","","","","has coordinates","290898","2024-04-04","23:09:46",""
"7248043","9.4413","0.0003","12.1521","0.0005","16.2434","0.0007","90","","93.569","0.001","90","","1860.02","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0593","0.0424","","","0.0915","0.1029","","","","","","0.997","","","","has coordinates","289184","2024-01-22","23:41:08",""
"7248044","9.6452","0.0015","12.4497","0.0019","16.168","0.002","90","","92.796","0.005","90","","1939.1","0.5","299","2","299","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H28 Cl4 Co N2 -","- C14 H28 Cl4 Co N2 -","- C56 H112 Cl16 Co4 N8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0667","0.0472","","","0.1214","0.141","","","","","","1.021","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248045","9.5688","0.0002","12.9473","0.0003","15.9128","0.0003","90","","90","","90","","1971.44","0.07","296","2","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C56 H112 Cl16 Co4 N8 O8 -","4","1","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.0419","0.0349","","","0.0838","0.087","","","","","","1.059","","","","has coordinates,has disorder","289184","2024-01-22","23:41:09",""
"7248046","6.5731","0.0015","16.213","0.004","13.002","0.003","90","","91.784","0.007","90","","1384.9","0.6","301","","301","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0644","0.0559","","","0.1432","0.15","","","","","","1.042","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248047","6.4979","0.0004","16.0144","0.001","12.9534","0.0008","90","","91.907","0.002","90","","1347.18","0.14","100","","100","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C7 H18 Cl4 Co N2 O -","- C7 H18 Cl4 Co N2 O -","- C28 H72 Cl16 Co4 N8 O4 -","4","2","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","0.56086","AgKα","","0.0296","0.0286","","","0.0645","0.065","","","","","","1.062","","","","has coordinates","289184","2024-01-22","23:41:09",""
"7248048","9.5314","0.0012","15.705","0.002","38.49","0.005","90","","90","","90","","5761.6","1.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 Cl4 Co N2 O2 -","- C14 H28 Cl4 Co N2 O2 -","- C168 H336 Cl48 Co12 N24 O24 -","12","3","","Belloso-Casuso, Cantia; de Pedro, Imanol; Canadillas-Delgado, Laura; Beobide, Garikoitz; Sánchez-Andújar, Manuel; Gárcia Ben, Javier; Walker, Julian; González Izquierdo, Palmerina; Cano, Israel; Rodríguez Fernández, Jesus; Fabelo, Oscar","Structural and physico-chemical characterization of hybrid materials based on globular quinuclidinium cation derivatives and tetrachloridocobaltate(ii) anions","CrystEngComm","2024","26","4","439","451","10.1039/D3CE00759F","","","1.54178","CuKα","","0.1199","0.1011","","","0.2876","0.3132","","","","","","1.258","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248049","12.4408","0.0007","15.1905","0.0008","16.5411","0.0009","92.864","0.003","102.624","0.003","106.246","0.003","2907.9","0.3","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","Ponatinib HCl","3-(imidazo[1,2-b]pyridazin-3-yylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide hydrochloride","","- C58 H63 Cl3 F6 N12 O5 -","- C58 H63 Cl3 F6 N12 O5 -","- C116 H126 Cl6 F12 N24 O10 -","2","1","","Stirk, Alexander J.; Holmes, Sean T.; Souza, Fabio E. S.; Hung, Ivan; Gan, Zhehong; Britten, James F.; Rey, Allan W.; Schurko, Robert W.","An unusual ionic cocrystal of ponatinib hydrochloride: characterization by single-crystal X-ray diffraction and ultra-high field NMR spectroscopy.","CrystEngComm","2024","26","9","1219","1233","10.1039/d3ce01062g","","","0.71073","MoKα","","0.0895","0.0599","","","0.1595","0.1733","","","","","","1.096","","","","has coordinates","290156","2024-03-04","20:10:19",""
"7248050","36.361","0.004","5.9049","0.0006","21.101","0.002","90","","115.569","0.003","90","","4086.9","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 N2 O9 Zn -","- C20 H18 N2 O9 Zn -","- C160 H144 N16 O72 Zn8 -","8","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.0426","0.0413","","","0.1254","0.1272","","","","","","1.072","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248051","11.3657","0.0007","17.0847","0.0014","9.57","0.0008","90","","107.99","0.002","90","","1767.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N6 O6 Zn -","- C17 H12 N6 O6 Zn -","- C68 H48 N24 O24 Zn4 -","4","1","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","0.71073","MoKα","","0.0389","0.0303","","","0.0725","0.0785","","","","","","1.059","","","","has coordinates,has disorder","290157","2024-03-04","20:10:32",""
"7248052","8.7045","0.0003","15.5177","0.0005","18.7098","0.0006","110.77","0.002","92.2","0.002","91.272","0.002","2359.49","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N11 O9 Zn2 -","- C18 H19 N11 O9 Zn2 -","- C72 H76 N44 O36 Zn8 -","4","2","","Guerrero-García, Pablo; Cepeda, Javier; Ortega-Muñoz, Mariano; García, Jose Angel; Navarro, Amparo; Choquesillo-Lazarte, Duane; Rojas, Sara; Diéguez, Antonio Rodríguez; Quesada-Moreno, María Mar; Vitórica-Yrezábal, Iñigo J.","Naphthalene-1,8-dicarboxylate based zinc coordination polymers: a photophysical study","CrystEngComm","2024","26","9","1268","1277","10.1039/D3CE01233F","","","1.54178","CuKα","","0.197","0.1002","","","0.2424","0.3087","","","","","","0.998","","","","has coordinates","290157","2024-03-04","20:10:32",""
"7248053","10.1417","0.0002","18.861","0.0003","16.4838","0.0002","90","","105.408","0.002","90","","3039.74","0.09","212.99","0.1","212.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 Mn2 N O15 -","- C28 H23 Mn2 N O15 -","- C112 H92 Mn8 N4 O60 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0551","0.0466","","","0.1097","0.1136","","","","","","1.055","","","","has coordinates,has disorder","290880","2024-04-04","23:04:06",""
"7248054","19.1708","0.0008","6.2123","0.0003","9.5258","0.0005","90","","102.172","0.004","90","","1108.97","0.09","213","0.1","213","0.1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C23 H16 Mn O14 -","- C23 H16 Mn O14 -","- C46 H32 Mn2 O28 -","2","0.5","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","0.71073","MoKα","","0.0505","0.0389","","","0.0987","0.1052","","","","","","1.067","","","","has coordinates,has disorder","290880","2024-04-04","23:04:07",""
"7248055","11.2767","0.0004","11.9402","0.0004","12.4311","0.0004","96.076","0.003","104.603","0.003","111.886","0.003","1465.3","0.1","213","0.1","213","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H22 Mn N2 O13 -","- C33 H22 Mn N2 O13 -","- C66 H44 Mn2 N4 O26 -","2","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","x-ray","1.54184","CuKα","","0.0559","0.0494","","","0.1318","0.1363","","","","","","1.057","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248056","14.081","0.004","19.265","0.005","16.785","0.005","90","","100.61","0.006","90","","4475","2","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 Mn2 N4 O17 -","- C39 H48 Mn2 N4 O17 -","- C156 H192 Mn8 N16 O68 -","4","1","","Wu, Hang; Ghosh, Mithun Kumar; Wang, Guang-Li; Wang, Jun; Muddassir, Mohd.; Ghorai, Tanmay Kumar; Kushwaha, Aparna; Srivastava, Devyani; Kumar, Abhinav","New 3,5-bis(3,4-dicarboxyphenoxy)benzoic acid-appended Mn(ii) coordination polymers: synthesis, characterization and antibiotic photodegradation properties","CrystEngComm","2024","26","10","1453","1463","10.1039/D3CE01285A","","","0.71073","MoKα","","0.1413","0.0653","","","0.1522","0.1871","","","","","","0.996","","","","has coordinates","290880","2024-04-04","23:04:07",""
"7248057","6.6228","0.0004","10.0408","0.0008","22.0134","0.0016","90","","94.015","0.005","90","","1460.26","0.18","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C64 H56 N24 O4 -","4","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1003","0.0652","","","0.1654","0.1913","","","","","","1.078","","","","has coordinates","290877","2024-04-04","23:03:32",""
"7248058","5.3231","0.0009","11.4404","0.0019","12.235","0.002","73.954","0.015","81.185","0.014","89.683","0.014","707.1","0.2","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N6 O -","- C16 H14 N6 O -","- C32 H28 N12 O2 -","2","1","","Shishkina, Svitlana V.; Shaposhnyk, Anna M.; Dyakonenko, Viktoriya V.; Shyshkina, Mariia O.; Kovalenko, Sergiy M.","Use of quantum chemical methods to study concomitant polymorphs of a new benzimidazole-1,2,3-triazole hybrid compound","CrystEngComm","2024","26","10","1481","1493","10.1039/D3CE01152F","","x-ray","0.71073","MoKα","","0.1126","0.0819","","","0.1984","0.2327","","","","","","1.028","","","","has coordinates","290877","2024-04-04","23:03:33",""
"7248060","18.493","0.0007","18.493","0.0007","7.1799","0.0005","90","","90","","90","","2455.5","0.2","100","0.1","100","0.1","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C116 H104 Br8 -","- C116 H104 Br8 -","- C116 H104 Br8 -","1","0.125","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0684","0.0394","","","0.0728","0.082","","","","","","1","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248061","7.1953","0.0003","25.4666","0.0009","10.1699","0.0004","90","","107.729","0.004","90","","1775.03","0.13","101","2","101","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 Br4 -","- C42 H38 Br4 -","- C84 H76 Br8 -","2","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.0458","0.0374","","","0.0644","0.0665","","","","","","1.034","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248062","18.7063","0.0012","7.1729","0.0005","25.574","0.002","90","","101.643","0.007","90","","3360.9","0.4","100","0.1","100","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Br4 Cl3 -","- C35 H29 Br4 Cl3 -","- C140 H116 Br16 Cl12 -","4","0.5","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.115","0.0672","","","0.1635","0.1851","","","","","","1.058","","","","has coordinates,has disorder","290140","2024-03-04","20:06:29",""
"7248063","19.2611","0.0014","7.1873","0.0007","25.1626","0.0019","90","","94.187","0.008","90","","3474.1","0.5","100","0.1","100","0.1","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41 H36 Br4 -","- C41 H36 Br4 -","- C164 H144 Br16 -","4","1","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.066","0.0493","","","0.101","0.1064","","","","","","1.056","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248064","10.8095","0.0007","15.4233","0.0009","19.8301","0.001","67.615","0.005","80.075","0.005","74.356","0.005","2934.6","0.3","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C34 H28 Br4 -","- C34 H28 Br4 -","- C136 H112 Br16 -","4","2","","Lutz, Nicholas; Bicknell, Josephine; Loya, Jesus Daniel; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Channel confinement and separation properties in an adaptive supramolecular framework using an adamantane tecton","CrystEngComm","2024","26","8","1067","1070","10.1039/D4CE00037D","","x-ray","0.71073","MoKα","","0.1042","0.0524","","","0.1061","0.1219","","","","","","1.032","","","","has coordinates","290140","2024-03-04","20:06:29",""
"7248065","14.4222","0.0015","9.8977","0.0011","15.7318","0.0016","90","","115.349","0.005","90","","2029.4","0.4","298","2","298.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl2 Cu N8 O8 -","- C12 H16 Cl2 Cu N8 O8 -","- C48 H64 Cl8 Cu4 N32 O32 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0537","0.0428","","","0.114","0.1202","","","","","","1.072","","","","has coordinates","290142","2024-03-04","20:07:02",""
"7248066","13.6445","0.0013","9.875","0.0009","14.6405","0.0014","90","","112.024","0.005","90","","1828.7","0.3","298","","298","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cu N10 O6 -","- C12 H16 Cu N10 O6 -","- C48 H64 Cu4 N40 O24 -","4","0.5","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","x-ray","0.71073","MoKα","","0.0508","0.0435","","","0.1197","0.1251","","","","","","1.077","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248067","36.169","0.003","9.9451","0.0009","13.4069","0.0016","90","","90","","90","","4822.5","0.8","298.15","","298.15","","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C12 H12 Cl6 Cu N8 O8 -","- C12 H12 Cl6 Cu N8 O8 -","- C96 H96 Cl48 Cu8 N64 O64 -","8","0.25","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.1081","0.093","","","0.2395","0.2527","","","","","","1.128","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248068","12.171","0.0013","12.171","0.0013","43.96","0.004","90","","90","","120","","5639.5","1","298","2","298.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H33 Cu3 N19 O4 -","- C27 H33 Cu3 N19 O4 -","- C162 H198 Cu18 N114 O24 -","6","0.333333","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0675","0.056","","","0.1606","0.1678","","","","","","1.117","","","","has coordinates","290142","2024-03-04","20:07:03",""
"7248069","38.031","0.003","7.9094","0.0008","14.7249","0.0011","90","","102.767","0.003","90","","4319.8","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 Cu N10 O6 -","- C12 H12 Cl4 Cu N10 O6 -","- C96 H96 Cl32 Cu8 N80 O48 -","8","1","","Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo","Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method","CrystEngComm","2024","26","8","1178","1188","10.1039/D3CE01182H","","","0.71073","MoKα","","0.0916","0.0759","","","0.1873","0.1943","","","","","","1.125","","","","has coordinates,has disorder","290142","2024-03-04","20:07:03",""
"7248070","8.7652","0.0004","10.7608","0.0005","11.206","0.0005","103.334","0.0018","92.5999","0.0018","107.653","0.0017","972.43","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16.5 N1.5 O6 U -","- C21 H16.5 N1.5 O6 U -","- C42 H33 N3 O12 U2 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.024","0.021","","","0.0447","0.0456","","","","","","1.151","","","","has coordinates,has disorder","290155","2024-03-04","20:10:08",""
"7248071","15.7139","0.0005","15.008","0.0005","22.3323","0.0006","90","","96.4976","0.0011","90","","5232.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H56 N2 O18 U2 -","- C58 H56 N2 O18 U2 -","- C232 H224 N8 O72 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0232","0.0194","","","0.041","0.0431","","","","","","1.059","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248072","8.6348","0.0003","14.3691","0.0005","27.8539","0.0011","93.9567","0.0017","98.1776","0.0017","94.847","0.0016","3397.1","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H52 N8 Ni O21 U2 -","- C70 H52 N8 Ni O21 U2 -","- C140 H104 N16 Ni2 O42 U4 -","2","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0387","0.0358","","","0.0785","0.0796","","","","","","1.208","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248073","28.912","0.0013","11.9986","0.0005","13.6561","0.0005","90","","95.2025","0.0017","90","","4717.8","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 N O7 U -","- C22 H21 N O7 U -","- C176 H168 N8 O56 U8 -","8","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0385","0.034","","","0.087","0.0892","","","","","","1.174","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248074","8.4166","0.0003","21.8953","0.0007","8.4203","0.0003","90","","93.6517","0.0012","90","","1548.58","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 O6 U -","- C18 H12 O6 U -","- C72 H48 O24 U4 -","4","1","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0175","0.0164","","","0.0385","0.039","","","","","","1.119","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248075","23.3097","0.0006","13.3655","0.0003","13.5379","0.0003","90","","90","","90","","4217.68","0.17","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C102 H76 O16 P2 U2 -","- C102 H76 O16 P2 U2 -","- C204 H152 O32 P4 U4 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0204","0.019","","","0.04","0.0408","","","","","","1.038","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248076","17.5195","0.0006","26.5815","0.0007","8.8808","0.0003","90","","90","","90","","4135.7","0.2","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C80 H80 N4 O26 U4 -","- C80 H80 N4 O26 U4 -","- C160 H160 N8 O52 U8 -","2","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0605","0.0472","","","0.0992","0.1058","","","","","","1.035","","","","has coordinates,has disorder","290155","2024-03-04","20:10:09",""
"7248077","15.4596","0.0004","15.193","0.0004","21.8735","0.0005","90","","95.5571","0.0009","90","","5113.5","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H43 Ag2 N2 O16.5 U2 -","- C58 H42 Ag2 N2 O16.5 U2 -","- C232 H168 Ag8 N8 O66 U8 -","4","0.5","","Lee, Young Hoon; Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Uranyl ion coordination polymers with the dibenzobarrelene-based rac- and (R,R)-trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate ligands","CrystEngComm","2024","26","9","1278","1291","10.1039/D3CE01176C","","","0.71073","MoKα","","0.0183","0.0182","","","0.0465","0.0466","","","","","","1.073","","","","has coordinates","290155","2024-03-04","20:10:09",""
"7248080","6.802","0.0005","21.332","0.002","13.2767","0.0012","90","","97.576","0.003","90","","1909.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 N8 O20 Th -","- C4 H16 N8 O20 Th -","- C16 H64 N32 O80 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.016","0.0142","","","0.034","0.0346","","","","","","1.124","","","","has coordinates","290882","2024-04-04","23:05:46",""
"7248081","9.1818","0.0008","15.7857","0.0013","16.523","0.002","68.362","0.004","89.898","0.004","75.32","0.002","2142.2","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H34 N14 O28 Th -","- C30 H34 N14 O28 Th -","- C60 H68 N28 O56 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0302","0.0231","","","0.0403","0.0417","","","","","","1.072","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248082","12.2065","0.001","12.3878","0.001","19.2532","0.0016","90","","108.057","0.002","90","","2767.9","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N10 O21 Th -","- C15 H18 N10 O21 Th -","- C60 H72 N40 O84 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0173","0.0157","","","0.0347","0.0353","","","","","","1.17","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248083","7.5205","0.0003","9.4305","0.0004","19.2896","0.0008","86.993","0.001","83.564","0.001","81.812","0.001","1344.65","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N10 O21 Th -","- C15 H15 N10 O21 Th -","- C30 H30 N20 O42 Th2 -","2","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0256","0.0196","","","0.0336","0.0348","","","","","","1.029","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248084","10.1866","0.0007","13.3824","0.0009","13.089","0.0009","90","","95.951","0.002","90","","1774.7","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N12 O24 Th -","- C20 H24 N12 O24 Th -","- C40 H48 N24 O48 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0209","0.0178","","","0.0464","0.0485","","","","","","1.081","","","","has coordinates,has disorder","290882","2024-04-04","23:05:47",""
"7248085","8.8462","0.0006","13.2604","0.0009","11.0517","0.0007","90","","101.802","0.002","90","","1269","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N8 O18 Th -","- C14 H20 N8 O18 Th -","- C28 H40 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0324","0.018","","","0.0362","0.0399","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248086","19.3201","0.0009","10.8154","0.0005","13.1377","0.0006","90","","109.58","0.001","90","","2586.4","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N10 O18 Th -","- C16 H14 N10 O18 Th -","- C64 H56 N40 O72 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0395","0.0208","","","0.0367","0.0409","","","","","","1.015","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248087","8.5991","0.0005","10.9119","0.0006","12.5427","0.0007","90","","94.099","0.001","90","","1173.9","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N8 O18 Th -","- C12 H16 N8 O18 Th -","- C24 H32 N16 O36 Th2 -","2","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0175","0.0151","","","0.0344","0.0352","","","","","","1.208","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248088","17.3812","0.0015","18.9121","0.0015","13.497","0.0011","90","","113.819","0.003","90","","4058.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 N14 O24 Th -","- C30 H26 N14 O24 Th -","- C120 H104 N56 O96 Th4 -","4","0.5","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0164","0.0159","","","0.0409","0.0411","","","","","","1.122","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248089","11.1786","0.0009","18.1915","0.0015","16.9407","0.0014","90","","93.437","0.003","90","","3438.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 N10 O21 Th -","- C21 H30 N10 O21 Th -","- C84 H120 N40 O84 Th4 -","4","1","","Shore, Madeline C.; Nicholas, Aaron D.; Vasiliu, Monica; Edwards, Kyle C.; de Melo, Gabriel F.; Bertke, Jeffery A.; Dixon, David A.; Knope, Karah E.","Structural chemistry of penta- and hexanitrato thorium(iv) complexes isolated using N–H donors","CrystEngComm","2024","26","10","1380","1398","10.1039/D3CE01319G","","","0.71073","MoKα","","0.0273","0.0235","","","0.0539","0.0553","","","","","","1.078","","","","has coordinates","290882","2024-04-04","23:05:47",""
"7248096","14.5892","0.0009","21.9646","0.0015","26.1741","0.0017","90","","90","","90","","8387.4","0.9","296.15","","296.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C54 H55 Co3 N6 O57 W12 -","- C54 H44 Co3 N6 O52 W12 -","- C216 H176 Co12 N24 O208 W48 -","4","1","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.1123","0.0616","","","0.1243","0.1468","","","","","","1.014","","","","has coordinates,has disorder","290878","2024-04-04","23:03:43",""
"7248097","13.0872","0.0006","13.6972","0.0007","19.4602","0.0009","95.412","0.001","106.144","0.001","93.091","0.001","3324.2","0.3","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H75 Cu N8 O95 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","- C72 H66 Cu N8 O91 P2 W24 -","1","0.5","","Wang, Xiuli; Yang, Lin; Zhang, Zhong","Structure-induced selective adsorption of diverse dyes and Cr(vi) photoreduction using two new polyoxometalate-based metal–viologen complexes","CrystEngComm","2024","26","10","1363","1370","10.1039/D3CE01227A","","x-ray","0.71073","MoKα","K-L~3~","0.0781","0.0454","","","0.1089","0.1223","","","","","","1.017","","","","has coordinates","290878","2024-04-04","23:03:44",""
"7248099","34.8261","0.0006","34.8261","0.0006","17.3791","0.0004","90","","90","","120","","18254.4","0.6","152.99","","152.99","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H31 Cu6 N6 O24 -","- C42 H31 Cu6 N6 O24 -","- C252 H186 Cu36 N36 O144 -","6","0.25","","Li, Hong-Xin; Zhang, Zong-Hui; Fang, Han; Guo, Xin-Ai; Du, Guo-Tong; Wang, Qin; Xue, Dong-Xu","A (4,6)-c copper–organic framework constructed from triazole-inserted dicarboxylate linker with CO2 selective adsorption","CrystEngComm","2024","26","9","1204","1208","10.1039/D3CE01217D","","","1.54178","CuKα","","0.1682","0.1401","","","0.408","0.4432","","","","","","1.79","","","","has coordinates,has disorder","290154","2024-03-04","20:09:52",""
"7248102","8.7171","0.0003","12.9296","0.0005","14.2643","0.0005","90","","90","","90","","1607.71","0.1","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,4-bis(4,5-diiodoimidazol-1-yl)butane","","- C10 H10 I4 N4 -","- C10 H10 I4 N4 -","- C40 H40 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0139","0.0134","","","0.0311","0.0313","","","","","","1.195","","","","has coordinates","290900","2024-04-04","23:09:59",""
"7248103","11.0164","0.0005","15.4161","0.0006","12.9223","0.0005","90","","103.359","0.002","90","","2135.21","0.15","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 Cu2 I6 N4 -","- C10 H10 Cu2 I6 N4 -","- C40 H40 Cu8 I24 N16 -","4","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0221","0.0195","","","0.0435","0.0447","","","","","","1.05","","","","has coordinates","290900","2024-04-04","23:10:00",""
"7248104","12.379","0.006","16.228","0.007","14.155","0.01","90","","107.332","0.016","90","","2714","3","200","","200","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H20.5 Cl2 Co I4 N5.5 O1.5 -","- C10 H10 Cl2 Co I4 N4 -","- C40 H40 Cl8 Co4 I16 N16 -","4","0.5","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Korobeynikov, Nikita A.; Novikov, Alexander S.; Usoltsev, Andrey N.; Fedin, Vladimir P.; Adonin, Sergey A.","4,5-Diiodo-1-H-imidazole-derived linker ligand and Cu(i) and Co(ii) coordination polymers based thereupon","CrystEngComm","2024","26","11","1607","1612","10.1039/D4CE00072B","","","0.71073","MoKα","","0.0378","0.0268","","","0.0561","0.0589","","","","","","1.04","","","","has coordinates,has disorder","290900","2024-04-04","23:10:01",""
"7248105","9.7501","0.0006","8.8976","0.0005","24.5696","0.0016","90","","90","","90","","2131.5","0.2","298.15","","298.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H5 N9 O7 -","- C5 H5 N9 O7 -","- C40 H40 N72 O56 -","8","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0703","0.0429","","","0.0991","0.1107","","","","","","1.046","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248106","7.2532","0.0004","12.1486","0.0008","13.3337","0.0008","90","","104.28","0.002","90","","1138.61","0.12","181","","181","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Cl N8 O8 -","- C5 H5 Cl N8 O8 -","- C20 H20 Cl4 N32 O32 -","4","1","","Lv, Hongyu; Song, Siwei; Yin, Dangyue; Jiang, Xiue; Li, Yang; Li, Zhiwei; Ao, Wen; Wang, Yi; Zhang, Qinghua","Assembly of thermostable fused compounds with oxidizers for laser-ignited energetic materials","CrystEngComm","2024","26","12","1738","1746","10.1039/D4CE00006D","","","0.71073","MoKα","","0.0476","0.0365","","","0.0887","0.0982","","","","","","1.04","","","","has coordinates","290909","2024-04-04","23:12:41",""
"7248111","14.52","0.0007","9.3992","0.0005","15.1096","0.0008","90","","112.583","0.002","90","","1903.99","0.17","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0928","0.0694","","","0.1599","0.173","","","","","","1.0789","","","","has coordinates","290881","2024-04-04","23:05:29",""
"7248112","14.4831","0.0018","9.3913","0.0009","15.0356","0.0019","90","","112.58","0.004","90","","1888.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1776","0.1189","","","0.3019","0.4517","","","","","","1.619","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248113","14.4915","0.0018","9.3952","0.0009","15.0402","0.0019","90","","112.575","0.004","90","","1890.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1787","0.1197","","","0.3027","0.4518","","","","","","1.6254","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248114","14.5114","0.0018","9.3994","0.0011","15.0586","0.0018","90","","112.506","0.004","90","","1897.5","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1548","0.1083","","","0.2779","0.4118","","","","","","1.5726","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248115","14.4807","0.0019","9.3916","0.001","15.0389","0.0019","90","","112.567","0.004","90","","1888.6","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.173","0.1119","","","0.2865","0.4333","","","","","","1.5304","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248116","14.4804","0.0019","9.3873","0.001","15.0373","0.0019","90","","112.596","0.004","90","","1887.1","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.1708","0.1228","","","0.3134","0.4094","","","","","","1.5692","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248117","14.5277","0.0005","9.4021","0.0004","15.0821","0.0006","90","","112.559","0.001","90","","1902.45","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O -","- C23 H21 N3 O -","- C92 H84 N12 O4 -","4","1","","Kaenpracha, Chaowat; Katrun, Praewpan; Chainok, Kittipong; Sukpattanacharoen, Chattarika; Kungwan, Nawee; Boonmak, Jaursup","Photoinduced enhancement of intraligand charge-transfer of a crystalline 3,3′-diindolyl(3-pyridyl)methane","CrystEngComm","2024","26","10","1438","1443","10.1039/D3CE01283B","","","0.71073","MoKα","","0.0964","0.0746","","","0.1557","0.1672","","","","","","1.0891","","","","has coordinates","290881","2024-04-04","23:05:30",""
"7248124","8.6215","0.0005","26.4188","0.0014","11.3368","0.0005","90","","101.383","0.002","90","","2531.4","0.2","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 F6 N4 O8 P -","- C19 H27 F6 N4 O8 P -","- C76 H108 F24 N16 O32 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.0605","0.0408","","","0.0907","0.0984","","","","","","1.038","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248125","5.7747","0.0004","12.6277","0.001","28.442","0.002","90","","95.394","0.002","90","","2064.8","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 F6 N4 O4 P -","- C19 H19 F6 N4 O4 P -","- C76 H76 F24 N16 O16 P4 -","4","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.078","0.0457","","","0.1085","0.1237","","","","","","1.027","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248126","22.036","0.011","10.119","0.005","22.787","0.011","90","","90","","90","","5081","4","296","2","296.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H24 F6 N5 O4 P -","- C22 H24 F6 N5 O4 P -","- C176 H192 F48 N40 O32 P8 -","8","1","","Xu, Yu-Ru; Zheng, Wen-Hui; Fang, Zong-Bin; Huang, Jian-Cai; Wu, Shu-Ting","Crystal structures and stimuli-responsive properties for three novel D–A type salicylhydrazide–viologen compounds with free radical properties under ambient conditions","CrystEngComm","2024","26","11","1527","1533","10.1039/D3CE01287E","","","0.71073","MoKα","","0.1386","0.0581","","","0.1323","0.1675","","","","","","1.015","","","","has coordinates","290897","2024-04-04","23:09:18",""
"7248131","16.589","0.002","8.8658","0.0011","8.1243","0.0011","90","","103.606","0.004","90","","1161.3","0.3","102","2","102","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0688","0.0555","","","0.1408","0.1489","","","","","","1.086","","","","has coordinates","290902","2024-04-04","23:10:13",""
"7248132","4.8347","0.0001","20.8619","0.0005","22.8684","0.0006","90","","90","","90","","2306.53","0.09","102","2","102","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","2","","Zakharychev, Dmitry V.; Fayzullin, Robert R.","Solubility- and melting-based approaches to evaluate the inner-crystal enantiophobia and enantiophilia undergoing a structural change within a homologous series, exemplified by chiral glycerol ethers","CrystEngComm","2024","26","11","1571","1582","10.1039/D3CE01196H","","x-ray","0.71073","MoKα","","0.0549","0.0463","","","0.1149","0.1206","","","","","","1.068","","","","has coordinates","290902","2024-04-04","23:10:14",""
"7248133","5.6513","0.0012","19.384","0.004","18.237","0.004","90","","98.331","0.008","90","","1976.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N5 Pb S2 -","- C20 H15 N5 Pb S2 -","- C80 H60 N20 Pb4 S8 -","4","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.1394","0.1221","","","0.2664","0.2754","","","","","","1.235","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248134","7.8039","0.0004","11.1545","0.0007","33.709","0.002","90","","90.944","0.002","90","","2933.9","0.3","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C9 H9 N7 Pb S3 -","- C9 H9 N7 Pb S3 -","- C72 H72 N56 Pb8 S24 -","8","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0235","0.018","","","0.0337","0.0351","","","","","","1.035","","","","has coordinates,has disorder","290896","2024-04-04","23:09:02",""
"7248135","6.9411","0.0004","8.1607","0.0005","10.8395","0.0007","97.201","0.003","93.084","0.002","107.496","0.002","578.25","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 N7 Pb S2 -","- C7 H7 N7 Pb S2 -","- C14 H14 N14 Pb2 S4 -","2","1","","Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.","On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives","CrystEngComm","2024","26","11","1637","1646","10.1039/D3CE01207G","","","0.71073","MoKα","","0.0289","0.0206","","","0.0313","0.0337","","","","","","1.054","","","","has coordinates","290896","2024-04-04","23:09:02",""
"7248136","9.1603","0.0007","11.1181","0.0008","11.9004","0.0009","90","","110.772","0.009","90","","1133.22","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N2 O3 -","- C10 H14 N2 O3 -","- C40 H56 N8 O12 -","4","1","","Hussain, Mohammed Noorul; Van Meervelt, Luc; Van Gerven, Tom","Crystallization of para-aminobenzoic acid forms from specific solvents","CrystEngComm","2024","26","11","1647","1656","10.1039/D3CE01055D","","x-ray","0.71073","MoKα","","0.068","0.051","","","0.1402","0.1563","","","","","","1.039","","","","has coordinates","290901","2024-04-04","23:10:07",""
"7248137","8.8896","0.0001","4.3363","0.0001","17.221","0.0002","90","","90","","90","","663.835","0.019","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0644","0.0644","","","0.097","0.097","","","","1.91","1.91","1.91","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248138","8.824","0.0001","4.3415","0.0001","17.1357","0.0002","90","","90","","90","","656.458","0.019","25","","25","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Mn S3 -","- Ba2 Mn S3 -","- Ba8 Mn4 S12 -","4","0.5","","Moore, Benjamin J.; Cui, Z. X.; Liu, Y.; Gutmann, Matthias J.; Teather, E. N.; Orlandi, Fabio; Balz, Christian; Manuel, Pascal; Perry, R. S.","Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3","CrystEngComm","2024","26","10","1444","1452","10.1039/D3CE00977G","","neutron","","neutron","","0.0699","0.0699","","","0.1067","0.1067","","","","1.4","1.4","1.4","","","","has coordinates","290879","2024-04-04","23:03:55",""
"7248139","10.6395","0.0003","28.9664","0.0008","10.5656","0.0004","90","","114.341","0.001","90","","2966.74","0.16","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H23.17 Cd N6 O4.58 -","- C35 H23.1666 Cd N6 O4.5833 -","- C140 H92.6664 Cd4 N24 O18.3332 -","4","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","","0.71073","MoKα","","0.0308","0.0279","","","0.0646","0.0669","","","","","","1.06","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248140","8.8685","0.0009","10.2782","0.0011","16.752","0.002","95.095","0.007","101.142","0.006","110.208","0.005","1385.8","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H26 N6 O7 Zn -","- C31 H20 N6 O4 Zn -","- C62 H40 N12 O8 Zn2 -","2","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.1133","0.0967","","","0.2581","0.2755","","","","","","1.041","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248141","18.1361","0.0009","18.1361","0.0009","26.421","0.002","90","","90","","90","","8690.3","0.9","193","","193","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C43 H40 Cd N10 O12 -","- C37 H22 Cd N8 O8 -","- C296 H176 Cd8 N64 O64 -","8","1","","Huang, Zi-Qing; Chen, Jia-Qi; Zhang, Xiao-Yu; Yuan, Cheng-Kai; Wang, Peng; Zhao, Yue; Zhao, Bao-Cheng; Qi, Wei-Xin; Sun, Wei-Yin","Cd(ii) and Zn(ii) coordination polymer-assisted CO2/cyclohexene oxide copolymerization with a double metal cyanide catalyst","CrystEngComm","2024","26","12","1701","1709","10.1039/D3CE01289A","","x-ray","1.34139","GaKα","","0.0381","0.0314","","","0.0795","0.0823","","","","","","1.034","","","","has coordinates","290906","2024-04-04","23:12:04",""
"7248144","17.8139","0.0006","12.4929","0.0004","19.4102","0.0007","90","","110.782","0.001","90","","4038.6","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Tb -","- C36 H24 Co N11 O15 Tb -","- C144 H96 Co4 N44 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0495","0.0316","","","0.0691","0.0763","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248145","27.417","0.002","13.0209","0.0012","27.138","0.002","90","","104.446","0.003","90","","9381.8","1.3","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C38 H27 Co N12 O15 Tb -","- C38 H27 Co N12 O15 Tb -","- C304 H216 Co8 N96 O120 Tb8 -","8","2","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1071","0.0836","","","0.196","0.2126","","","","","","1.179","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248146","12.6274","0.0009","17.4622","0.0013","21.5945","0.0016","90","","90","","90","","4761.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Tb -","- C42 H33 Co N14 O15 Tb -","- C168 H132 Co4 N56 O60 Tb4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0337","0.0296","","","0.0727","0.0744","","","","","","1.075","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248147","17.794","0.0004","12.4847","0.0003","19.409","0.0004","90","","110.851","0.001","90","","4029.38","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co Dy N11 O15 -","- C36 H24 Co Dy N11 O15 -","- C144 H96 Co4 Dy4 N44 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0363","0.0273","","","0.0699","0.0741","","","","","","1.068","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248148","17.8105","0.0005","12.4596","0.0005","19.4286","0.0006","90","","110.544","0.001","90","","4037.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 O15 Y Zn -","- C36 H24 N11 O15 Y Zn -","- C144 H96 N44 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0827","0.0429","","","0.0683","0.0765","","","","","","1.08","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248149","17.7131","0.0004","12.4943","0.0003","19.302","0.0005","90","","110.611","0.001","90","","3998.35","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N11 Ni O15 Y -","- C36 H24 N11 Ni O15 Y -","- C144 H96 N44 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0691","0.0387","","","0.0868","0.0985","","","","","","1.002","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248150","17.7823","0.0006","12.4756","0.0004","19.4154","0.0007","90","","110.848","0.001","90","","4025.2","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Co N11 O15 Y -","- C36 H24 Co N11 O15 Y -","- C144 H96 Co4 N44 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0714","0.0398","","","0.0869","0.0998","","","","","","0.958","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248151","12.834","0.0006","17.5509","0.0009","21.6296","0.0012","90","","90","","90","","4872","0.4","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1107","0.0592","","","0.135","0.1592","","","","","","1.023","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248152","12.689","0.0007","17.3285","0.0008","21.5711","0.0009","90","","90","","90","","4743.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0683","0.042","","","0.0779","0.089","","","","","","1.04","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248153","12.6343","0.0003","17.4984","0.0004","21.6439","0.0005","90","","90","","90","","4785.03","0.19","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0344","0.0287","","","0.0664","0.0688","","","","","","0.993","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248154","12.66","0.002","17.879","0.004","22.64","0.005","90","","90","","90","","5124.5","1.8","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 Ni O15 -","- C48 H32 La N13 Ni O15 -","- C192 H128 La4 N52 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1588","0.0472","","","0.1103","0.1608","","","","","","0.735","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248155","12.602","0.0005","17.3989","0.0007","21.5392","0.001","90","","90","","90","","4722.7","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co N14 O15 Y -","- C42 H33 Co N14 O15 Y -","- C168 H132 Co4 N56 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0568","0.0463","","","0.0948","0.0984","","","","","","1.086","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248156","12.7677","0.0007","17.414","0.0008","21.6944","0.001","90","","90","","90","","4823.5","0.4","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 O15 Y Zn -","- C42 H33 N14 O15 Y Zn -","- C168 H132 N56 O60 Y4 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0671","0.0397","","","0.0766","0.0878","","","","","","1.053","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248157","12.6828","0.0004","17.3643","0.0006","21.4063","0.0008","90","","90","","90","","4714.3","0.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 N14 Ni O15 Y -","- C42 H33 N14 Ni O15 Y -","- C168 H132 N56 Ni4 O60 Y4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0566","0.0387","","","0.0781","0.0842","","","","","","1.009","","","","has coordinates,has disorder","290903","2024-04-04","23:11:17",""
"7248158","12.453","0.004","17.82","0.006","22.217","0.008","90","","90","","90","","4930","3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 Nd O15 -","- C48 H32 Co N13 Nd O15 -","- C192 H128 Co4 N52 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1461","0.1429","","","0.3434","0.3452","","","","","","1.438","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248159","12.4662","0.0018","17.717","0.003","22.612","0.003","90","","90","","90","","4994.2","1.3","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 La N13 O15 Zn -","- C48 H32 La N13 O15 Zn -","- C192 H128 La4 N52 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.214","0.0938","","","0.2497","0.2816","","","","","","1.184","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248160","12.4224","0.0004","20.0351","0.0009","22.1111","0.001","90","","90","","90","","5503.1","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0604","0.0442","","","0.0917","0.0995","","","","","","0.856","","","","has coordinates","290903","2024-04-04","23:11:17",""
"7248161","12.5205","0.0004","20.2855","0.0005","22.2201","0.0006","90","","90","","90","","5643.6","0.3","250","2","250","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0346","0.0281","","","0.0503","0.0527","","","","","","1","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248162","12.5426","0.0018","20.322","0.004","22.424","0.004","90","","90","","90","","5715.7","1.7","340","2","340","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1233","0.0508","","","0.0912","0.1106","","","","","","0.858","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248163","12.4132","0.0007","20.1554","0.0012","22.077","0.0013","90","","90","","90","","5523.5","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 Nd O15 -","- C54 H41 Co N16 Nd O15 -","- C216 H164 Co4 N64 Nd4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0329","","","0.0588","0.0636","","","","","","1.082","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248164","12.4889","0.0008","20.1897","0.0013","21.9131","0.0017","90","","90","","90","","5525.3","0.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 O15 Zn -","- C54 H41 La N16 O15 Zn -","- C216 H164 La4 N64 O60 Zn4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0488","0.0337","","","0.0568","0.0617","","","","","","0.997","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248165","12.6555","0.0006","17.9417","0.0008","22.6477","0.001","90","","90","","90","","5142.4","0.4","400","2","400","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1175","0.0499","","","0.0648","0.0791","","","","","","1.044","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248166","12.555","0.002","20.342","0.004","22.458","0.005","90","","90","","90","","5735.6","1.9","360","2","360","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 La N16 Ni O15 -","- C54 H41 La N16 Ni O15 -","- C216 H164 La4 N64 Ni4 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1527","0.0572","","","0.106","0.1285","","","","","","0.909","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248167","12.5969","0.0005","17.4194","0.0007","21.5508","0.0009","90","","90","","90","","4728.9","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H33 Co Dy N14 O15 -","- C42 H33 Co Dy N14 O15 -","- C168 H132 Co4 Dy4 N56 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0487","0.0365","","","0.0791","0.0883","","","","","","1.039","","","","has coordinates,has disorder","290903","2024-04-04","23:11:18",""
"7248168","12.5118","0.0016","20.32","0.003","22.341","0.003","90","","90","","90","","5680","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","- C216 H164 Co4 N64 Nd4 O60 -","1","0.25","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0622","0.0543","","","0.1105","0.1141","","","","","","0.95","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248169","12.5614","0.0018","20.372","0.003","22.451","0.003","90","","90","","90","","5745.2","1.4","350","2","350","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1297","0.0972","","","0.2523","0.272","","","","","","1.201","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248170","12.6065","0.0014","17.994","0.0017","22.46","0.002","90","","90","","90","","5094.9","0.9","380","2","380","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co N13 O15 Sm -","- C48 H32 Co N13 O15 Sm -","- C192 H128 Co4 N52 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.1164","0.0823","","","0.2057","0.2288","","","","","","1.11","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248171","12.4723","0.0008","20.1964","0.001","22.0456","0.0011","90","","90","","90","","5553.2","0.5","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co La N16 O15 -","- C54 H41 Co La N16 O15 -","- C216 H164 Co4 La4 N64 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0478","0.0347","","","0.0588","0.0629","","","","","","1.022","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248172","12.4812","0.0007","20.2883","0.0013","22.2801","0.0015","90","","90","","90","","5641.8","0.6","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0345","0.0284","","","0.0615","0.0641","","","","","","1.029","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248173","12.4061","0.001","20.1133","0.0017","21.9689","0.0019","90","","90","","90","","5481.8","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C54 H41 Co N16 O15 Sm -","- C54 H41 Co N16 O15 Sm -","- C216 H164 Co4 N64 O60 Sm4 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0352","0.0324","","","0.0783","0.0799","","","","","","1.01","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248174","12.4652","0.0006","17.7628","0.0008","22.4407","0.001","90","","90","","90","","4968.7","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H32 Co La N13 O15 -","- C48 H32 Co La N13 O15 -","- C192 H128 Co4 La4 N52 O60 -","4","1","","Gavrikov, Andrey V.; Ilyukhin, Andrey B.","Union is strength: π–π stacking interactions are capable of preventing solid-state racemization of tris-chelate complexes","CrystEngComm","2024","26","12","1677","1682","10.1039/D4CE00104D","","","0.71073","MoKα","","0.0429","0.0348","","","0.0683","0.0715","","","","","","1.038","","","","has coordinates","290903","2024-04-04","23:11:18",""
"7248175","8.112","0.001","8.112","0.001","4.9862","0.0006","90","","90","","120","","284.16","0.06","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","Tricalcium Tantalum Trigallodisilicate","Langasite","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","- Ca3 Ga3 O14 Si2 Ta -","1","0.166667","","Ai, Lei; Sun, Zhigang; Jiang, Linwen; Pan, Jianguo; Zheng, Yanqing; Pan, Shangke","Piezoelectric properties of (Sr0.2Ca0.8)3TaGa3Si2O14 and Ca3TaGa3Si2O14 single crystals grown via vertical Bridgman method","CrystEngComm","2024","26","11","1550","1555","10.1039/D3CE01126G","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","290899","2024-04-04","23:09:52",""
"7248176","14.3117","0.0004","3.9776","0.0001","26.9681","0.0005","90","","104.512","0.002","90","","1486.21","0.06","299.63","0.1","299.63","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","(E)-1,2-bis(2-pyridyl)ethene and pentachloroiodobenzene cocrystal","","- C24 H10 Cl10 I2 N2 -","- C24 H10 Cl10 I2 N2 -","- C48 H20 Cl20 I4 N4 -","2","0.5","","Andren, Max; Bosch, Eric; Krueger, Herman R.; Groeneman, Ryan H.","Achieving a series of solid-state [2 + 2] cycloaddition reactions involving 1,2-bis(2-pyridyl)ethylene within halogen-bonded co-crystals","CrystEngComm","2024","26","10","1349","1352","10.1039/D4CE00097H","","","1.54184","CuKα","","0.062","0.0539","","","0.1513","0.1583","","","","","","1.0324","","","","has coordinates","290876","2024-04-04","23:03:23",""
"7248187","11.142","0.0014","6.8138","0.0008","13.6024","0.0017","90","","102.714","0.004","90","","1007.4","0.2","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O6 -","- C11 H10 O6 -","- C44 H40 O24 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0756","0.0502","","","0.1095","0.1188","","","","","","1.067","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248188","12.0789","0.0003","10.0528","0.0002","8.6569","0.0002","90","","90","","90","","1051.18","0.04","298","","298","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C44 H48 O28 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0306","0.0284","","","0.0709","0.0723","","","","","","1.092","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248189","6.568","0.0002","27.9778","0.0008","12.4818","0.0004","90","","92.584","0.003","90","","2291.3","0.12","295.5","0.2","295.5","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 O7 -","- C11 H12 O7 -","- C88 H96 O56 -","8","2","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","x-ray","0.71073","MoKα","","0.0733","0.0504","","","0.1278","0.1414","","","","","","1.091","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248190","10.7437","0.0012","6.9554","0.0007","12.3782","0.0014","90","","92.629","0.004","90","","924.01","0.17","298","2","298.03","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 O5 -","- C10 H12 O5 -","- C40 H48 O20 -","4","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.0365","0.035","","","0.0867","0.0878","","","","","","1.097","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248191","7.1276","0.0008","7.5031","0.0008","11.3065","0.0013","98.614","0.006","105.39","0.007","105.364","0.007","546.17","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H12 O8 -","- C11 H12 O8 -","- C22 H24 O16 -","2","1","","Rashid, Showkat; Husain, Ahmad; Bhat, Bilal A.; Mehta, Goverdhan","Incisive analysis of hydrogen-bonded supramolecular architectures in designer polycyclitols: observation of some interesting self-assembly patterns","CrystEngComm","2024","26","14","1952","1961","10.1039/D4CE00010B","","","0.71073","MoKα","","0.1111","0.0797","","","0.2047","0.2305","","","","","","1.128","","","","has coordinates","290891","2024-04-04","23:07:54",""
"7248192","13.0318","0.0013","7.7973","0.0008","9.8712","0.001","90","","106.032","0.003","90","","964.03","0.17","213","2","213","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H8 N8 O6 -","- C3 H8 N8 O6 -","- C12 H32 N32 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0754","0.074","","","0.1912","0.1944","","","","","","1.081","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248193","8.7186","0.0002","11.5384","0.0003","8.1605","0.0002","90","","93.994","0.001","90","","818.94","0.03","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H K N6 O6 -","- C3 H K N6 O6 -","- C12 H4 K4 N24 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0231","0.0222","","","0.0596","0.0602","","","","","","1.034","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248194","17.215","0.002","6.5819","0.0007","13.6351","0.0018","90","","107.543","0.004","90","","1473.1","0.3","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H14 N14 O6 -","- C5 H14 N14 O6 -","- C20 H56 N56 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0564","0.0436","","","0.1094","0.1206","","","","","","1.03","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248195","13.6418","0.0005","9.7046","0.0003","8.1716","0.0003","90","","102.117","0.001","90","","1057.72","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H10 N10 O6 -","- C3 H10 N10 O6 -","- C12 H40 N40 O24 -","4","1","","Zhao, Pinxu; Lin, Qiuhan; Huang, Haifeng; Li, Xiaoqiang; Yang, Jun","Synthesis of energetic salts based on 4-nitro-5-dinitromethyl-1,2,3-1H-triazole","CrystEngComm","2024","26","12","1730","1737","10.1039/D3CE01184D","","","0.71073","MoKα","","0.0478","0.0356","","","0.0811","0.0889","","","","","","1.092","","","","has coordinates","290907","2024-04-04","23:12:12",""
"7248196","5.926","0.0012","22.325","0.005","22.507","0.005","90","","90","","90","","2977.6","1.1","220","2","220","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3,6-dichloro-9H-carbazole","","- C12 H7 Cl2 N -","- C12 H7 Cl2 N -","- C144 H84 Cl24 N12 -","12","3","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0429","0.0414","","","0.1154","0.1165","","","","","","1.09","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248197","4.176","0.0008","11.111","0.002","12.236","0.003","90","","93.14","0.03","90","","566.9","0.2","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","3,6-diiodo-9H-carbazole","","- C12 H7 I2 N -","- C12 H7 I2 N -","- C24 H14 I4 N2 -","2","1","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.63","synchrotron","","0.0534","0.0531","","","0.1386","0.1389","","","","","","1.144","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248198","6.01","0.0012","23.086","0.005","15.133","0.003","90","","90.8","0.03","90","","2099.5","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,6-dibromo-9H-carbazole","","- C12 H7 Br2 N -","- C12 H7 Br2 N -","- C96 H56 Br16 N8 -","8","2","","Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Halogen atom substitution effect on the carbazole fluorescence properties and supramolecular interactions in the solid-state","CrystEngComm","2024","26","12","1773","1778","10.1039/D4CE00053F","","","0.61","synchrotron","","0.0658","0.0618","","","0.1719","0.1752","","","","","","1.077","","","","has coordinates","290910","2024-04-04","23:12:52",""
"7248204","11.7879","0.0006","15.0748","0.0009","11.0619","0.0007","90","","90","","90","","1965.7","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H15 Cl2 N3 Zn -","- C22 H15 Cl2 N3 Zn -","- C88 H60 Cl8 N12 Zn4 -","4","0.5","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0565","0.0428","","","0.1152","0.1356","","","","","","1.11","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248205","8.8355","0.0006","18.3846","0.0011","13.1961","0.0008","90","","90.21","0.002","90","","2143.5","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Br2 N3 Zn -","- C22 H15 Br2 N3 Zn -","- C88 H60 Br8 N12 Zn4 -","4","1","","Lee, Pei-Chin; Huang, Tzu-Chiao; Wu, Jing-Yun","Wavelike zinc coordination polymers: anion-modulated ligand conformation and fluorescence detection of 4-aminobenzylamine","CrystEngComm","2024","26","13","1819","1828","10.1039/D3CE01228J","","","0.71073","MoKα","","0.0897","0.0707","","","0.1938","0.215","","","","","","1.079","","","","has coordinates","290886","2024-04-04","23:06:49",""
"7248206","5.0509","0.0005","12.397","0.0014","22.448","0.002","90","","93.489","0.008","90","","1403","0.2","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Hazarika, Pragyan J.; Gupta, Poonam; Allu, Suryanarayana; Nath, Naba K.","The photomechanical bending and photosalient effect of flexible crystals of an acylhydrazone","CrystEngComm","2024","26","12","1671","1676","10.1039/D3CE01321A","","","0.71073","MoKα","","0.1341","0.0688","","","0.1535","0.1887","","","","","","1.0255","","","","has coordinates","290905","2024-04-04","23:11:46",""
"7248214","9.0027","0.0003","7.527","0.0002","9.0306","0.0004","90","","114.109","0.005","90","","558.56","0.04","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C2 H12 Cl3 Fe N2 O6 -","- C2 H12 Cl3 Fe N2 O6 -","- C4 H24 Cl6 Fe2 N4 O12 -","2","0.5","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0831","0.079","","","","0.2251","","","","","","1.149","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248215","7.488","0.0003","8.597","0.0004","9.896","0.0003","90.603","0.003","99.679","0.003","95.105","0.003","625.28","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H14 Cl2 Fe N O5 -","- C6 H14 Cl2 Fe N O5 -","- C12 H28 Cl4 Fe2 N2 O10 -","2","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0696","0.0621","","","","0.2126","","","","","","1.448","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248216","11.2146","0.0005","8.5542","0.0003","15.9856","0.0007","90","","109.469","0.004","90","","1445.85","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.0807","0.0733","","","","0.1934","","","","","","1.021","","","","has coordinates,has disorder","290888","2024-04-04","23:07:19",""
"7248217","11.2283","0.0016","8.6109","0.0009","16.306","0.003","90","","109.46","0.019","90","","1486.5","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Cl2 Fe N O4 -","- C9 H18 Cl2 Fe N O4 -","- C36 H72 Cl8 Fe4 N4 O16 -","4","1","","Lozančić, Ana; Burazer, Sanja; Renka, Sanja; Molčanov, Krešimir; Molčanov, Lidija; Jurić, Marijana","Proton transport in oxalate compounds of iron(iii) containing (alkyl)ammonium cations: the influence of the density of hydrogen bonds on conductivity","CrystEngComm","2024","26","13","1892","1901","10.1039/D3CE01267K","","","1.54184","CuKα","","0.2281","0.153","","","","0.4212","","","","","","1.212","","","","has coordinates","290888","2024-04-04","23:07:19",""
"7248218","34.238","0.002","16.0211","0.0009","33.7881","0.0017","90","","91.078","0.001","90","","18530.5","1.8","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C81 H93 Fe3 N12 O24 -","- C57 H37 Fe3 N4 O16 -","- C456 H296 Fe24 N32 O128 -","8","1","","Wang, Hao; Shi, Le; Cao, Honghao; Xiong, Zhangyi; Ma, Si; Pan, Jun; Chen, Zhijie","Synthesis of an iron-based metal–organic framework with octahedral cages for the selective capture of sulfur hexafluoride","CrystEngComm","2024","26","13","1912","1916","10.1039/D4CE00041B","","","0.71073","MoKα","","0.0814","0.0673","","","0.1948","0.2118","","","","","","1.029","","","","has coordinates","290889","2024-04-04","23:07:31",""
"7248219","13.9706","0.00016","26.3924","0.0003","19.9773","0.0003","90","","90","","90","","7365.98","0.16","100","0.1","100","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Caff-Py","","","- C34 H43 N8 O15.5 -","- C34 H43 N8 O15.5 -","- C272 H344 N64 O124 -","8","1","","Molajafari, Fateme; Li, Tianrui; Abbasichaleshtori, Mehrnaz; Hajian Z. D., Moein; Cozzolino, Anthony F.; Fandrick, Daniel R.; Howe, Joshua D.","Computational screening for prediction of co-crystals: method comparison and experimental validation","CrystEngComm","2024","26","11","1620","1636","10.1039/D3CE01252B","","x-ray","1.54184","CuKα","","0.0553","0.0433","","","0.1127","0.1203","","","","","","1.033","","","","has coordinates","290895","2024-04-04","23:08:54",""
"7248221","14.2663","0.0004","20.3743","0.0006","22.7754","0.0005","90","","97.175","0.001","90","","6568.2","0.3","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C118 H124 Ag4 Mo8 N4 O28 P8 -","- C236 H248 Ag8 Mo16 N8 O56 P16 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0434","0.0295","","","0.0695","0.0762","","","","","","1.044","","","","has coordinates,has disorder","290887","2024-04-04","23:07:03",""
"7248222","11.6266","0.001","12.7787","0.0012","13.669","0.0013","109.407","0.003","96.054","0.003","115.217","0.003","1658.7","0.3","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","- C58 H58 Ag2 Mo6 N2 O19 P4 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.028","0.0238","","","0.0668","0.0762","","","","","","1.165","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248223","15.7042","0.001","22.4607","0.0016","20.2442","0.0015","90","","102.668","0.002","90","","6966.9","0.8","273.15","","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H104 Ag4 O40 P9 W12 -","- C108 H104 Ag4 O40 P9 W12 -","- C216 H208 Ag8 O80 P18 W24 -","2","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","0.71073","MoKα","","0.0984","0.0656","","","0.1911","0.2166","","","","","","1.04","","","","has coordinates,has disorder","290887","2024-04-04","23:07:04",""
"7248224","14.0626","0.0004","14.8889","0.0003","27.6698","0.0007","100.653","0.001","93.37","0.002","109.707","0.001","5314","0.2","297","","297","","","","","","","","","6","P -1","-P 1","2","","","","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","- C162 H156 Ag6 Mo24 O80 P14 -","1","0.5","","Yao, Sheng-Jie; Qi, Zhen-Qing; Jiang, Zhan-Guo; Zhan, Cai-Hong","Polyoxometalate templated silver-bisphosphine sandwich: structurally tunable hybrid materials","CrystEngComm","2024","26","13","1798","1805","10.1039/D4CE00106K","","","1.54178","CuKα","","0.1021","0.0666","","","0.1547","0.1778","","","","","","1.033","","","","has coordinates","290887","2024-04-04","23:07:04",""
"7248225","21.798","0.0012","6.3399","0.0005","16.8128","0.001","90","","90.723","0.006","90","","2323.3","0.3","250","0.1","250","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoic acid, dimethylsufoxide solvate","","- C42 H40 O10 S10 -","- C42 H40 O10 S10 -","- C84 H80 O20 S20 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.079","0.0582","","","0.155","0.1759","","","","","","1.029","","","","has coordinates,has disorder","291597","2024-05-05","02:19:06",""
"7248226","19.081","0.003","31.525","0.006","20.06","0.002","90","","104.324","0.015","90","","11692","3","180","0.1","180","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","[tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(water)-di-copper(ii)]4, dimethylformamide solvate","","- C155.9 H101.1 Cu8 N1.3 O41.3 S32 -","- C155.48 H99.5 Cu8 N1.16 O41.16 S32 -","- C310.96 H199 Cu16 N2.32 O82.32 S64 -","2","0.5","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1717","0.146","","","0.3817","0.4082","","","","","","1.43","","","","has coordinates,has disorder","291597","2024-05-05","02:19:09",""
"7248227","22.1127","0.0006","23.7586","0.0006","23.85","0.0005","95.728","0.002","94.436","0.002","102.342","0.002","12116.4","0.5","200","0.1","200","0.1","","","","","","","","6","P -1","-P 1","2","","copper(II)8-[mu-tetrakis(μ~2~-4,4',4'',4'''-(([2,2'-bi(1,3-dithiolylidene)]-4,4',5,5'-tetrayltetrakis(sulfanediyl))tetrakis(methylene))tetrabenzoate-O,O')-bis(dimethylacetamide/water), dimethylacetamide solvate","","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C193.92 H194.32 Cu8 N10.48 O44.48 S32 -","- C387.84 H388.64 Cu16 N20.96 O88.96 S64 -","2","1","","Cheret, Yohan; Avarvari, Narcis; Zigon, Nicolas","Metal–organic polyhedron from a flexible tetrakis(thiobenzyl-carboxylate)-tetrathiafulvalene","CrystEngComm","2024","26","15","2072","2077","10.1039/D3CE01251D","","x-ray","1.54184","CuKα","","0.1269","0.1013","","","0.2782","0.3175","","","","","","1.069","","","","has coordinates,has disorder","291597","2024-05-05","02:19:10",""
"7248228","12.166","0.002","9.4954","0.0019","29.213","0.006","90","","97.081","0.005","90","","3349","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N8 O6 Zn -","- C34 H36 N8 O6 Zn -","- C136 H144 N32 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0314","0.0274","","","0.0648","0.0685","","","","","","1.058","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248229","10.887","0.002","13.685","0.003","16.805","0.004","90","","99.712","0.006","90","","2467.9","0.9","105","2","105","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N5 O6 Zn -","- C24 H27 N5 O6 Zn -","- C96 H108 N20 O24 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0957","0.0703","","","0.1486","0.1721","","","","","","1.075","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248230","8.5917","0.0006","9.9828","0.0006","15.1695","0.001","90","","92.225","0.002","90","","1300.1","0.15","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N4 O -","- C13 H16 N4 O -","- C52 H64 N16 O4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.0784","0.0619","","","0.1158","0.1254","","","","","","1.166","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248231","16.0036","0.001","9.549","0.0006","27.2906","0.0017","90","","100.52","0.002","90","","4100.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N8 O9 Zn -","- C38 H50 N8 O9 Zn -","- C152 H200 N32 O36 Zn4 -","4","1","","Verma, Satyendra; Brahma, Rinki; Baruah, Jubaraj B.","Consequences of twisting of the flexible arms of imidazole-derived urea in zinc-dicarboxylate coordination polymers","CrystEngComm","2024","26","14","1976","1985","10.1039/D4CE00005F","","","0.71073","MoKα","","0.1068","0.0573","","","0.1106","0.138","","","","","","1.08","","","","has coordinates","290894","2024-04-04","23:08:38",""
"7248235","7.0073","0.0008","11.8847","0.0012","15.9967","0.0017","90","","101.95","0.004","90","","1303.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cl2 N4 O2 Tc -","- C9 H11 Cl2 N4 O2 Tc -","- C36 H44 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0591","0.0363","","","0.0712","0.0784","","","","","","1.029","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248236","8.0605","0.0006","33.63","0.003","12.0796","0.0009","90","","108.857","0.003","90","","3098.7","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Cl2 N4 O2 Tc -","- C11 H15 Cl2 N4 O2 Tc -","- C88 H120 Cl16 N32 O16 Tc8 -","8","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0787","0.0461","","","0.0833","0.0956","","","","","","1.017","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248237","9.0399","0.0005","14.145","0.0008","14.986","0.0008","69.993","0.002","84.129","0.002","83.815","0.002","1785.73","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H21 Cl2 N4 O2 Tc -","- C14 H21 Cl2 N4 O2 Tc -","- C56 H84 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0572","0.0407","","","0.0814","0.0886","","","","","","1.037","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248238","11.6629","0.0006","9.0674","0.0005","14.0443","0.0007","90","","105.197","0.002","90","","1433.28","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Cl2 N4 O2 Tc -","- C10 H13 Cl2 N4 O2 Tc -","- C40 H52 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.031","0.0228","","","0.0456","0.0488","","","","","","1.022","","","","has coordinates,has disorder","290904","2024-04-04","23:11:34",""
"7248239","14.089","0.002","9.1069","0.0015","16.009","0.003","90","","113.149","0.006","90","","1888.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl2 N4 O2 Tc -","- C15 H23 Cl2 N4 O2 Tc -","- C60 H92 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1658","0.0614","","","0.1111","0.1478","","","","","","0.965","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248240","6.8651","0.0006","7.6286","0.0007","19.7846","0.0018","86.031","0.003","89.719","0.004","72.288","0.004","984.52","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H25 Cl2 N4 O2 Tc -","- C16 H25 Cl2 N4 O2 Tc -","- C32 H50 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0748","0.0466","","","0.0799","0.0886","","","","","","0.984","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248241","6.8766","0.0004","7.6359","0.0005","21.635","0.0013","92.223","0.002","94.493","0.002","107.672","0.002","1076.75","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H29 Cl2 N4 O2 Tc -","- C18 H29 Cl2 N4 O2 Tc -","- C36 H58 Cl4 N8 O4 Tc2 -","2","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0496","0.0346","","","0.0608","0.0654","","","","","","1.033","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248242","14.0797","0.001","8.8218","0.0006","14.5189","0.0009","90","","109.072","0.002","90","","1704.4","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H19 Cl2 N4 O2 Tc -","- C13 H19 Cl2 N4 O2 Tc -","- C52 H76 Cl8 N16 O8 Tc4 -","4","1","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.0539","0.0321","","","0.0561","0.0628","","","","","","1.006","","","","has coordinates","290904","2024-04-04","23:11:34",""
"7248243","9.0647","0.0011","12.8136","0.0015","14.4134","0.0017","74.521","0.005","82.598","0.006","83.057","0.005","1593.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl2 N4 O2 Tc -","- C12 H17 Cl2 N4 O2 Tc -","- C48 H68 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.1207","0.0633","","","0.1015","0.1238","","","","","","0.949","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248244","9.612","0.004","10.482","0.004","21.517","0.008","101.141","0.017","99.638","0.016","90.665","0.016","2094.9","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H27 Cl2 N4 O2 Tc -","- C17 H27 Cl2 N4 O2 Tc -","- C68 H108 Cl8 N16 O8 Tc4 -","4","2","","Novikov, Anton P.; Volkov, Mikhail A.","The influence of the alkoxy substituent length on the crystal structures of Tc(v) complexes with pyrazine","CrystEngComm","2024","26","12","1747","1755","10.1039/D4CE00029C","","","0.71073","MoKα","","0.2912","0.0925","","","0.1586","0.2352","","","","","","0.935","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7248245","36.623","0.006","8.325","0.002","10.0606","0.0014","90","","97.746","0.013","90","","3039.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","x-ray","0.71073","synchrotron","","0.1314","0.0626","","","0.0969","0.1206","","","","","","0.981","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248246","36.466","0.007","8.2745","0.0015","10.0269","0.0018","90","","97.792","0.003","90","","2997.6","1","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N5 O4 -","- C36 H29 N5 O4 -","- C144 H116 N20 O16 -","4","0.5","","Lai, Xiaoxia; Liu, Xinxin; Yang, Ye; Huang, Jinyan; Song, Shichang; Ren, Shicheng; Liang, Xuexue; Wu, Dongqi; Zhou, Liya; Chen, Peican","In situ generated dimethylamine constructs a robust hydrogen-bonded organic framework for selective fluorescence detection","CrystEngComm","2024","26","13","1876","1883","10.1039/D4CE00004H","","","0.71073","MoKα","","0.0799","0.0469","","","0.1139","0.1312","","","","","","1.03","","","","has coordinates","290883","2024-04-04","23:06:06",""
"7248247","18.3042","0.0002","18.3042","0.0002","18.3042","0.0002","90","","90","","90","","6132.71","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.081","0.0701","","","0.1848","0.1952","","","","","","1.042","","","","has coordinates","291598","2024-05-05","02:20:09",""
"7248248","11.5467","0.0012","17.9284","0.0018","19.841","0.002","90","","90","","90","","4107.4","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H48 Cl Cu N6 O4 -","- C39 H48 Cl Cu N6 O4 -","- C156 H192 Cl4 Cu4 N24 O16 -","4","1","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.1529","0.1241","","","0.3243","0.3559","","","","","","1.055","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248249","18.0217","0.0003","18.0217","0.0003","18.0217","0.0003","90","","90","","90","","5853.12","0.17","250","2","250","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0481","0.039","","","0.0949","0.0989","","","","","","1.043","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248250","18.231","0.0002","18.231","0.0002","18.231","0.0002","90","","90","","90","","6059.43","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H80.0001 Cl Cu N6 O7 -","- C252 H320 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0776","0.0723","","","0.1995","0.2056","","","","","","1.086","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248251","18.0116","0.0002","18.0116","0.0002","18.0116","0.0002","90","","90","","90","","5843.28","0.11","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0753","0.0727","","","0.2028","0.2069","","","","","","1.048","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248252","17.9422","0.0004","17.9422","0.0004","17.9422","0.0004","90","","90","","90","","5776","0.2","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C48 H72 Cl Cu N6 O7 -","- C48 H72 Cl Cu N6 O7 -","- C192 H288 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0385","0.0339","","","0.0874","0.0903","","","","","","1.058","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248253","18.2489","0.0002","18.2489","0.0002","18.2489","0.0002","90","","90","","90","","6077.29","0.12","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0805","0.0775","","","0.2099","0.2135","","","","","","1.075","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248254","18.0076","0.0003","18.0076","0.0003","18.0076","0.0003","90","","90","","90","","5839.39","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C51 H78 Cl Cu N6 O7 -","- C51 H78 Cl Cu N6 O7 -","- C204 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0717","0.0698","","","0.1912","0.194","","","","","","1.051","","","","has coordinates","291598","2024-05-05","02:20:12",""
"7248255","18.2443","0.0003","18.2443","0.0003","18.2443","0.0003","90","","90","","90","","6072.7","0.17","150","2","150","2","","","","","","","","6","P 21 3","P 2ac 2ab 3","198","","","","- C63 H78 Cl Cu N6 O7 -","- C63 H78 Cl Cu N6 O7 -","- C252 H312 Cl4 Cu4 N24 O28 -","4","0.333333","","Röβ-Ohlenroth, Richard; Knippen, Katharina; Kraft, Maryana; Volkmer, Dirk","Enantioselective enrichment of chiral 1-phenylethanol in the camphor-based chiral metal–organic framework CFA-22","CrystEngComm","2024","26","15","2051","2055","10.1039/D4CE00181H","","","0.71073","MoKα","","0.0786","0.076","","","0.2049","0.2082","","","","","","1.069","","","","has coordinates,has disorder","291598","2024-05-05","02:20:12",""
"7248256","14.2868","0.0002","14.2868","0.0002","24.4236","0.0008","90","","90","","90","","4985.17","0.19","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C42 H54 Mo2.7 N6 Re3.3 S8 -","- C168 H216 Mo10.8 N24 Re13.2 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0301","0.0189","","","0.0363","0.039","","","","","","1.06","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248257","9.3333","0.0002","10.552","0.0002","11.8701","0.0002","114.453","0.001","91.101","0.001","108.996","0.001","989.99","0.04","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","- C30 H30 Mo2 N6 Re4 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0324","0.0274","","","0.0493","0.0515","","","","","","1.023","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248258","9.3362","0.0008","10.5758","0.0008","11.8771","0.0009","114.524","0.002","91.007","0.003","109.1","0.003","992.01","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo3 N6 Re3 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","- C30 H30 Mo2.9998 N6 Re3.0002 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0239","0.0217","","","0.0479","0.0488","","","","","","1.059","","","","has coordinates","290908","2024-04-04","23:12:33",""
"7248259","9.3458","0.0004","10.5903","0.0004","11.8441","0.0005","114.432","0.001","90.749","0.001","109.192","0.001","992.72","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H30 Mo2.65 N6 Re3.35 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","- C30 H30 Mo2.654 N6 Re3.346 S8 -","1","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.024","0.0195","","","0.0402","0.0418","","","","","","1.044","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248260","14.2677","0.0011","14.2677","0.0011","24.473","0.004","90","","90","","90","","4981.9","1","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo3 N6 Re3 S8 -","- C42 H54 Mo2.9998 N6 Re3.0002 S8 -","- C168 H216 Mo11.9992 N24 Re12.0008 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0417","0.0245","","","0.0456","0.0516","","","","","","1.033","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248261","26.7541","0.0006","26.7541","0.0006","9.3946","0.0003","90","","90","","90","","6724.5","0.3","296","2","296","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C54 H78 Mo2.7 N6 Re3.3 S8 -","- C216 H312 Mo10.8 N24 Re13.2 S32 -","4","0.5","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0473","0.0369","","","0.066","0.0691","","","","","","1.161","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248262","14.3459","0.0011","15.5318","0.0013","18.3357","0.0014","105.271","0.003","103.906","0.003","100.383","0.003","3694.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.17 H85.75 Mo3 N8.59 Re3 S8 -","- C59.168 H85.752 Mo3 N8.584 Re3 S8 -","- C118.336 H171.504 Mo6 N17.168 Re6 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.065","0.0408","","","0.0825","0.0939","","","","","","1.045","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248263","14.3716","0.0004","15.5898","0.0004","18.3061","0.0005","105.324","0.001","104.101","0.001","100.184","0.001","3706.74","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.19 H85.79 Mo2 N8.6 Re4 S8 -","- C59.188 H85.782 Mo2 N8.594 Re4 S8 -","- C118.376 H171.564 Mo4 N17.188 Re8 S16 -","2","1","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0339","0.0272","","","0.058","0.0605","","","","","","1.027","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248264","14.2615","0.0004","14.2615","0.0004","24.4091","0.001","90","","90","","90","","4964.6","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C42 H54 Mo2 N6 Re4 S8 -","- C42 H54 Mo2 N6 Re4 S8 -","- C168 H216 Mo8 N24 Re16 S32 -","4","0.25","","Lappi, Tatiana I.; Gaifulin, Yakov M.; Sukhikh, Taisiya S.; Gaifulina, Viktoria K.; Yanshole, Vadim V.; Cordier, Stephane; Naumov, Nikolay G.","Molecular heterometallic clusters [Re6−xMoxS8L6] (x = 2–3, L = py, etpy, tbp): negligible influence of the x value on the crystal structures","CrystEngComm","2024","26","12","1720","1729","10.1039/D3CE01229H","","","0.71073","MoKα","","0.0414","0.0218","","","0.04","0.0445","","","","","","1.055","","","","has coordinates,has disorder","290908","2024-04-04","23:12:33",""
"7248265","33.21","0.05","10.16","0.013","16.17","0.02","90","","112.22","0.03","90","","5051","12","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C46 H68 N8 O8 -","- C46 H68 N8 O8 -","- C184 H272 N32 O32 -","4","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2183","0.1038","","","0.2341","0.3234","","","","","","0.926","","","","has coordinates","290049","2024-03-04","03:30:22",""
"7248266","14.637","0.008","19.378","0.009","16.197","0.007","90","","104.947","0.016","90","","4439","4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C65 H120 N12 O13 -","- C65 H120 N12 O13 -","- C130 H240 N24 O26 -","2","1","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.0876","0.0531","","","0.1158","0.1277","","","","","","1.014","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248267","17.73","0.1","10.52","0.06","28.85","0.16","90","","99.42","0.08","90","","5309","5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H72 N8 O8 -","- C45 H72 N8 O8 -","- C180 H288 N32 O32 -","4","2","","Nalawade, Sachin A.; Kumar, Mothukuri Ganesh; Puneeth Kumar, DRGKoppalu R.; Singh, Manjeet; Dey, Sanjit; Gopi, Hosahudya N.","Crystal structure analysis of helix–turn–helix type motifs in α,γ-hybrid peptides","CrystEngComm","2024","26","7","913","917","10.1039/D3CE01236K","","","0.71073","MoKα","","0.2139","0.107","","","0.2415","0.2902","","","","","","1.026","","","","has coordinates","290049","2024-03-04","03:30:23",""
"7248268","6.9783","0.0011","7.2131","0.0011","16.191","0.003","89.097","0.002","87.703","0.002","67.944","0.002","754.7","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O4 -","- C17 H11 N O4 -","- C34 H22 N2 O8 -","2","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.0896","0.0572","","","0.188","0.2046","","","","","","1.057","","","","has coordinates","290050","2024-03-04","03:31:28",""
"7248269","23.861","0.002","12.381","0.0011","17.8166","0.0017","90","","112.927","0.002","90","","4847.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 N4 O4 Zn -","- C27 H20 N4 O4 Zn -","- C216 H160 N32 O32 Zn8 -","8","1","","Zhao, Bo; Lu, Jiangfeng; Liu, Hao; Li, Senlin; Sun, Qiaozhen; Zhang, Bingguang","Design and synthesis of a turn-off fluorescent sensor based on a multifunctional Zn(ii) coordination polymer for the detection of Fe3+, Hg2+ and 4-nitrophenol","CrystEngComm","2024","26","9","1319","1327","10.1039/D3CE01174G","","","0.71073","MoKα","","0.1412","0.0541","","","0.1091","0.1371","","","","","","0.998","","","","has coordinates,has disorder","290050","2024-03-04","03:31:29",""
"7248270","8.8359","0.0015","9.5857","0.0018","10.325","0.002","90.933","0.007","92.085","0.007","107.286","0.006","834.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl2 N5 O2 Pb -","- C13 H15 Cl2 N5 O2 Pb -","- C26 H30 Cl4 N10 O4 Pb2 -","2","1","","Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Labisbal, Elena; Castiñeiras, Alfonso; Eftekhari-Sis, Bagher; Mahmoudi, Ghodrat; Sagan, Filip; Mitoraj, Mariusz P.; Safin, Damir A.","An extended supramolecular coordination compound produced from PbCl2 and N′-isonicotinoylpicolinohydrazonamide","CrystEngComm","2024","26","9","1252","1260","10.1039/D3CE01066J","","","0.71073","MoKα","","0.0155","0.0134","","","0.027","0.0275","","","","","","1.052","","","","has coordinates","290051","2024-03-04","03:31:48",""
"7248272","12.4249","0.0018","11.7971","0.0018","24.951","0.004","90","","95.752","0.003","90","","3638.8","1","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","none","trans-alpha, alpha, alpha',alpha'-tetraphenyl-9,10-dihydro-9,10-ethano-anthracene-11,12-dimethanol 1,2-dichlorobenzene clathrate","","- C48 H38 Cl2 O2 -","- C48 H38 Cl2 O2 -","- C192 H152 Cl8 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0799","0.0577","","","0.151","0.1722","","","","","","1.02","","","","has coordinates","290884","2024-04-04","23:06:19",""
"7248273","23.236","0.001","15.6145","0.0008","24.0913","0.001","90","","115.807","0.003","90","","7869","0.7","200","2","200","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","trans- α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C48 H34 Cl6 O2 -","- C48 H34 Cl6 O2 -","- C384 H272 Cl48 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0616","0.045","","","0.1082","0.1205","","","","","","1.048","","","","has coordinates","290884","2024-04-04","23:06:20",""
"7248274","23.2834","0.0009","23.2834","0.0009","12.4263","0.0006","90","","90","","90","","6736.5","0.5","296","2","296","2","","","","","","","","4","I -4","I -4","82","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","","- C44 H35.33 Cl0.67 O2 -","- C43.9998 H35.3332 Cl0.6666 O2 -","- C351.998 H282.666 Cl5.3328 O16 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Host compounds based on the rigid 9,10-dihydro-9,10-ethanoanthracene framework: selectivity behaviour in mixed isomeric dichlorobenzenes","CrystEngComm","2024","26","13","1862","1875","10.1039/D4CE00113C","","","0.71073","MoKα","","0.0804","0.0566","","","0.1569","0.1771","","","","","","1.038","","","","has coordinates,has disorder","290884","2024-04-04","23:06:20",""
"7248275","9.4279","0.0002","9.4279","0.0002","25.1636","0.0007","90","","90","","90","","2236.67","0.09","150","","150","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0274","0.0226","","","0.0378","0.039","","","","","","1.048","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248276","13.6493","0.0011","10.0133","0.0006","18.0921","0.0014","90","","111.399","0.004","90","","2302.3","0.3","150","2","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0418","0.0303","","","0.0546","0.0578","","","","","","1.029","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248277","12.6722","0.0002","9.9937","0.0002","17.2207","0.0003","90","","102.588","0.001","90","","2128.44","0.07","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H20 Cl6 I2 N2 Te -","- C5.9997 H19.999 Cl6 I2 N1.9999 Te -","- C23.9988 H79.996 Cl24 I8 N7.9996 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0398","0.028","","","0.0549","0.0586","","","","","","1.038","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248278","17.8598","0.0011","7.4112","0.0005","17.6492","0.0011","90","","100.334","0.002","90","","2298.2","0.3","150","2","150","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H16 Cl6 I2 N2 Te -","- C12 H16 Cl6 I2 N2 Te -","- C48 H64 Cl24 I8 N8 Te4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","x-ray","0.71073","MoKα","","0.0526","0.0313","","","0.0498","0.055","","","","","","1.04","","","","has coordinates","290892","2024-04-04","23:08:05",""
"7248279","16.9466","0.0009","9.6814","0.0005","13.3524","0.0007","90","","108.691","0.002","90","","2075.15","0.19","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl6 I2 N2 Te -","- C10 H12 Cl6 I2 N2 Te -","- C40 H48 Cl24 I8 N8 Te4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Adonin, Sergey A.","Polymeric polyiodo-chlorotellurates(iv): new supramolecular hybrids in halometalate chemistry","CrystEngComm","2024","26","14","2018","2024","10.1039/D4CE00088A","","","0.71073","MoKα","","0.0376","0.0249","","","0.0431","0.0454","","","","","","1.044","","","","has coordinates,has disorder","290892","2024-04-04","23:08:05",""
"7248281","20.9615","0.0011","20.9615","0.0011","7.8858","0.0005","90","","90","","120","","3000.7","0.3","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","ETHYL MALTOL","","","- C7 H8 O3 -","- C7 H8 O3 -","- C126 H144 O54 -","18","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0349","0.0328","","","0.0893","0.0911","","","","","","1.062","","","","has coordinates","290885","2024-04-04","23:06:40",""
"7248282","4.8597","0.0007","6.8797","0.001","20.17","0.003","90","","95.2","0.004","90","","671.57","0.17","296","2","296","2","","","","","","","solution crystallization method","3","P 1 21/n 1","-P 2yn","14","ETHYL MALTOL","2ETHYL 3HYDROXY4PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C28 H32 O12 -","4","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.1785","0.0746","","","0.1173","0.1414","","","","","","1.067","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248283","7.1414","0.0008","7.6229","0.0008","7.6784","0.0008","62.162","0.003","68.379","0.003","76.408","0.003","342.61","0.06","296","2","296","2","","","","","","","","3","P -1","-P 1","2","ETHYL MALTOL","2-ETHYL-3-HYDROXY-4-PYRANONE","","- C7 H8 O3 -","- C7 H8 O3 -","- C14 H16 O6 -","2","1","","Thirumalaisamy, Anitha; Karuppannan, Srinivasan","Nucleation control and separation of ethyl maltol polymorphs under different growth conditions through solution crystallization process in selected solvent environments","CrystEngComm","2024","26","13","1902","1911","10.1039/D3CE01154B","","","0.71073","MoKα","","0.0647","0.0468","","","0.1161","0.1248","","","","","","1.09","","","","has coordinates","290885","2024-04-04","23:06:41",""
"7248288","28.3208","0.0013","39.2416","0.0017","16.2646","0.0006","90","","90","","90","","18075.7","1.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C288 H248 Dy16 O160 -","- C288 H248 Dy16 O160 -","- C576 H496 Dy32 O320 -","2","0.125","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0288","0.0259","","","0.0665","0.0684","","","","","","1.058","","","","has coordinates,has disorder","290890","2024-04-04","23:07:44",""
"7248289","10.0739","0.0005","10.1946","0.0005","12.6937","0.0006","76.507","0.001","86.196","0.002","71.856","0.001","1204.59","0.1","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 Eu O13 -","- C24 H21 Eu O13 -","- C48 H42 Eu2 O26 -","2","1","","Liao, Ya-Qing; Xiong, Tian-Zheng; Xie, Kang-Le; Zhang, Huan; Hu, Jun-Jie; Wen, He-Rui","Two multifunctional Dy(iii)-based metal–organic frameworks exhibiting proton conduction, magnetic properties and second-harmonic generation","CrystEngComm","2024","26","14","2033","2042","10.1039/D4CE00065J","","","0.71073","MoKα","","0.0653","0.0409","","","0.0596","0.0656","","","","","","1.073","","","","has coordinates","290890","2024-04-04","23:07:44",""
"7248291","7.455","0.003","7.934","0.003","8.27","0.003","85.443","0.012","76.787","0.011","74.123","0.011","458","0.3","170","","170","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromofluorene","","- C23 H11 Br N4 -","- C23 H11 Br N4 -","- C23 H11 Br N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.1273","0.0927","","","0.1887","0.2044","","","","","","1.093","","","","has coordinates,has disorder","291596","2024-05-05","02:17:28",""
"7248292","7.1852","0.0005","7.8039","0.0006","7.9484","0.0006","73.766","0.003","83.955","0.002","88.769","0.003","425.52","0.05","170","","170","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Fluorene","","- C23 H12 N4 -","- C23 H12 N4 -","- C23 H12 N4 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.068","0.0471","","","0.1153","0.1325","","","","","","1.058","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248293","8.0699","0.0019","9.282","0.002","12.323","0.003","79.161","0.008","78.504","0.009","84.709","0.008","887","0.4","160","","160","","","","","","","","","4","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-2-Bromocarbazole","","- C22 H10 Br N5 -","- C22 H10 Br N5 -","- C44 H20 Br2 N10 -","2","1","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0634","0.0444","","","0.0933","0.1025","","","","","","1.034","","","","has coordinates","291596","2024-05-05","02:17:34",""
"7248294","7.03","0.0005","7.8302","0.0006","7.8567","0.0007","73.722","0.003","88.51","0.003","84.102","0.003","412.95","0.06","100","","100","","","","","","","","","3","P -1","-P 1","2","","1,2,4,5-Tetracyanobenzene-Carbazole","","- C22 H11 N5 -","- C22 H11 N5 -","- C22 H11 N5 -","1","0.5","","Yao, Wenxiu; Wu, Pengfei; Xie, Yidan; Shen, Xinyu; Xia, Shuwei; Yu, Liangmin","Synthesis and photophysical properties of charge transfer cocrystals based on TCNB and fluorene and its derivatives","CrystEngComm","2024","26","16","2155","2165","10.1039/D3CE01208E","","","0.71073","MoKα","","0.0905","0.0646","","","0.1525","0.1677","","","","","","1.123","","","","has coordinates,has disorder","291596","2024-05-05","02:17:34",""
"7248298","9.1124","0.0003","11.7634","0.0004","25.2509","0.0009","90","","92.117","0.003","90","","2704.87","0.16","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl F N4 O6 -","- C29 H29 Cl F N4 O6 -","- C116 H116 Cl4 F4 N16 O24 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0453","0.044","","","0.1231","0.1254","","","","","","1.059","","","","has coordinates","291600","2024-05-05","02:21:39",""
"7248299","7.73274","0.00005","12.20698","0.0001","14.35665","0.00012","65.3898","0.0008","84.3011","0.0006","89.307","0.0006","1225.34","0.018","100","0.1","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25.5 H27 Cl F N4 O4.5 -","- C25.5 H27 Cl F N4 O4.5 -","- C51 H54 Cl2 F2 N8 O9 -","2","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0389","0.0386","","","0.09","0.0901","","","","","","1.022","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248300","10.83646","0.00005","26.10472","0.0001","10.91005","0.00005","90","","99.937","0.0004","90","","3039.97","0.02","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 Cl F N4 O7 -","- C32 H34 Cl F N4 O7 -","- C128 H136 Cl4 F4 N16 O28 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0377","0.0363","","","0.101","0.1023","","","","","","1.039","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248301","7.3807","0.0001","22.4116","0.0002","23.002","0.0001","90","","95.195","0.001","90","","3789.21","0.06","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl F N8 O15 -","- C36 H32 Cl F N8 O15 -","- C144 H128 Cl4 F4 N32 O60 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","","1.54184","CuKα","","0.0471","0.0415","","","0.1093","0.116","","","","","","1.05","","","","has coordinates","291600","2024-05-05","02:21:44",""
"7248302","14.4516","0.0001","18.0004","0.0001","26.7026","0.0002","90","","90","","90","","6946.27","0.08","301.92","0.14","301.92","0.14","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H72 Cl2 F2 N8 O18 -","- C72 H72 Cl2 F2 N8 O18 -","- C288 H288 Cl8 F8 N32 O72 -","4","1","","Zou, Yao; Meng, Xin; Zhang, Baoxi; Yu, Hongmei; He, Guorong; Gong, Ningbo; Lu, Yang; Du, Guanhua","Gefitinib salts/cocrystals with phenolic acids as a promising solid-state approach to improve solubility","CrystEngComm","2024","26","15","2112","2122","10.1039/D4CE00039K","","x-ray","1.54184","CuKα","","0.0566","0.0518","","","0.1452","0.1499","","","","","","1.016","","","","has coordinates,has disorder","291600","2024-05-05","02:21:44",""
"7248307","9.0389","0.0011","9.0389","0.0011","14.437","0.003","90","","90","","120","","1021.5","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Co I4 N6 -","- C6 H24 Ag2 Co I4 N6 -","- C12 H48 Ag4 Co2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0252","0.024","","","0.0545","0.0551","","","","","","1.273","","","","has coordinates","291593","2024-05-05","02:14:58",""
"7248308","9.0851","0.0011","9.0851","0.0011","14.411","0.003","90","","90","","120","","1030.1","0.3","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Fe I4 N6 -","- C6 H24 Ag2 Fe I4 N6 -","- C12 H48 Ag4 Fe2 I8 N12 -","2","0.166667","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.71073","MoKα","","0.0299","0.0235","","","0.0478","0.0501","","","","","","1.122","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248309","21.681","0.004","21.681","0.004","9.2216","0.0019","90","","90","","90","","4334.8","1.4","293","2","293","2","","","","","","","","7","I 41/a m d :2","-I 4bd 2","141","","","","- C8 H28 Ag2 Co I4 N6 O -","- C8 H8 Ag2 Co I4 N6 O -","- C32 H32 Ag8 Co4 I16 N24 O4 -","4","0.125","","Gao, Yan; Yang, Xiao; Ren, Taohong; Jia, Dingxian","Facile syntheses, structures and photocatalytic properties of 3D iodoargentate frameworks derived from TM-flexible-amino-ligand templates","CrystEngComm","2024","26","16","2172","2179","10.1039/D4CE00247D","","","0.7107","MoKα","","0.0685","0.043","","","0.0938","0.1053","","","","","","1.085","","","","has coordinates","291593","2024-05-05","02:15:03",""
"7248310","7.1123","0.0002","12.6881","0.0003","13.3199","0.0003","88.7065","0.0017","87.275","0.002","82.989","0.002","1191.5","0.05","100","0.11","100","0.11","","","","","","","","5","P -1","-P 1","2","","Niraparib tosylate monohydrate","","- C26 H30 N4 O5 S -","- C26 H30 N4 O5 S -","- C52 H60 N8 O10 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah","A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug","CrystEngComm","2024","26","19","2463","2473","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0955","0.0921","","","0.1954","0.1971","","","","","","1.109","","","","has coordinates,has disorder","292960","2024-07-05","15:27:08",""
"7248311","5.9287","0.0001","22.876","0.0004","10.8603","0.0002","90","","97.155","0.002","90","","1461.46","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","Niraparib tosylate L-proline","","- C31 H37 N5 O6 S -","- C31 H37 N5 O6 S -","- C62 H74 N10 O12 S2 -","2","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Das, Arijit; Reddy Lakkireddy, Pulla; Reddy, C. Malla; Chennuru, Ramanaiah","A zwitterionic salt–cocrystal: in vitro insights from niraparib tosylate, an anti-cancer drug","CrystEngComm","2024","26","19","2463","2473","10.1039/D4CE00114A","","x-ray","1.54184","CuKα","","0.0377","0.0354","","","0.092","0.0937","","","","","","1.05","","","","has coordinates","292960","2024-07-05","15:27:09",""
"7248314","13.32025","0.00013","13.32025","0.00013","31.8915","0.0006","90","","90","","90","","5658.48","0.13","297","2","297","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","R-Binol ; (R,R)-DADPE","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine","","- C34 H30 N2 O2 -","- C34 H30 N2 O2 -","- C272 H240 N16 O16 -","8","1","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.0449","0.0394","","","0.1066","0.1101","","","","","","1.089","","","","has coordinates,has disorder","291599","2024-05-05","02:20:59",""
"7248315","23.5398","0.0017","23.5398","0.0017","15.3506","0.0009","90","","90","","90","","8506.1","1","150","2","150","2","","","","","","","","4","I 4 2 2","I 4 2","97","R-Binol (R,R)-DADPE benzene solvate","(R)-(+)-1,1?-Bi(2-naphthol) ; (1R,2R)-N,N?-Dimethyl-1,2-diphenylethane-1,2-diamine benzene solvate","","- C50.27 H46.27 N2 O2 -","- C50.32 H46.32 N2 O2 -","- C402.56 H370.56 N16 O16 -","8","0.5","","de Meester, Joséphine; Shemchuk, Oleksii; Collard, Laurent; Wouters, Johan; Baillieux, Simon; Robeyns, Koen; Leyssens, Tom","Using the nature of the achiral solvent to orient chiral resolution","CrystEngComm","2024","26","15","2056","2059","10.1039/D4CE00124A","","","0.71073","MoKα","","0.1477","0.1165","","","0.2486","0.2667","","","","","","1.248","","","","has coordinates,has disorder","291599","2024-05-05","02:21:02",""
"7248334","12.3533","0.0004","27.6883","0.0008","21.444","0.0007","90","","90","","90","","7334.7","0.4","150","0.1","150","0.1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C86 H72 N12 Zn2 -","- C86 H72 N12 Zn2 -","- C344 H288 N48 Zn8 -","4","0.5","","Chauhan, Pinky; Pushpanandan, Poornenth; Ravikanth, Mangalampalli","Synthesis, structure, and properties of helical bis-Zn(ii) complexes of hexapyrrolic ligands","CrystEngComm","2024","26","17","2259","2268","10.1039/D4CE00019F","","x-ray","0.71073","MoKα","","0.0879","0.0541","","","0.1256","0.1481","","","","","","1.021","","","","has coordinates","291590","2024-05-05","02:10:51",""
"7248340","11.2868","0.0011","11.2868","0.0011","27.13","0.002","90","","90","","120","","2993.1","0.5","288","2","288","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71073","MoKα","","0.2396","0.0859","","","0.1623","0.2175","","","","","","1.0392","","","","has coordinates","291591","2024-05-05","02:12:22",""
"7248341","11.239","0.004","11.239","0.004","27.0392","0.001","90","","90","","120","","2957.9","1.5","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14.25 H26 N2 O5.51 S -","- C14.254 H26 N2 O5.508 S -","- C85.524 H156 N12 O33.048 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","","0.71075","MoKα","","0.101","0.0525","","","0.1424","0.1886","","","","","","0.8487","","","","has coordinates,has disorder","291591","2024-05-05","02:12:28",""
"7248342","11.2333","0.0009","11.2333","0.0009","27.046","0.002","90","","90","","120","","2955.6","0.4","238","","238","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.2013","0.0815","","","0.1848","0.246","","","","","","0.9909","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248343","11.3887","0.0008","11.3887","0.0008","27.3424","0.0002","90","","90","","120","","3071.3","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C16 H30 N2 O5 S -","- C16 H30 N2 O5 S -","- C96 H180 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1359","0.0754","","","0.1414","0.1646","","","","","","1.0308","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248344","11.4929","0.0007","11.4929","0.0007","27.9288","0.0018","90","","90","","120","","3194.8","0.3","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C17 H32 N2 O5 S -","- C17 H32 N2 O5 S -","- C102 H192 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1203","0.0732","","","0.1499","0.17","","","","","","1.0291","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248345","11.1876","0.0008","11.1876","0.0008","26.9537","0.0018","90","","90","","120","","2921.6","0.4","188","2","188.15","","","","","","","","","5","P 65","P 65","170","","","","- C14 H26 N2 O5 S -","- C14 H26 N2 O5 S -","- C84 H156 N12 O30 S6 -","6","1","","Yamanaka, Kazuaki; Oketani, Ryusei; Mori, Yuya; Sato, Takashi; Tsuzuki, Seiji; Takahashi, Hiroki; Tsue, Hirohito","Thermal fluctuation-induced selective CO2 uptake of seemingly nonporous N,C-protected dipeptide crystals as elucidated by in situ X-ray crystallographic analysis","CrystEngComm","2024","26","17","2314","2321","10.1039/D3CE01018J","","x-ray","0.71073","MoKα","","0.1442","0.0774","","","0.1692","0.1984","","","","","","1.0289","","","","has coordinates","291591","2024-05-05","02:12:28",""
"7248346","11.663","0.0007","15.3457","0.0008","17.2204","0.001","73.515","0.002","81.274","0.003","82.823","0.003","2910.2","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1243","0.0851","","","0.228","0.2681","","","","","","1.084","","","","has coordinates,has disorder","291594","2024-05-05","02:15:30",""
"7248347","11.8077","0.001","15.022","0.0012","19.3471","0.0017","98.973","0.003","104.421","0.003","111.029","0.003","2985.8","0.4","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 N4 O6 -","- C33 H36 N4 O6 -","- C132 H144 N16 O24 -","4","2","","Bracken, Matthew L.; Fernandes, Manuel A.; Mathura, Sadhna","Bilirubin and its crystal forms","CrystEngComm","2024","26","16","2136","2142","10.1039/D4CE00123K","","","0.71073","MoKα","","0.1867","0.0948","","","0.224","0.2974","","","","","","1.029","","","","has coordinates,has disorder","291594","2024-05-05","02:15:34",""
"7248348","22.7598","0.0007","26.3415","0.0009","31.6172","0.0011","94.269","0.002","93.768","0.001","90.135","0.001","18861.4","1.1","190","2","190","2","","","","","","","","6","P -1","-P 1","2","","","","- C279 H346 N4 O54 Tb2 Ti13 -","- C279 H346 N4 O54 Tb2 Ti13 -","- C558 H692 N8 O108 Tb4 Ti26 -","2","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1221","0.0894","","","0.2237","0.2565","","","","","","1.042","","","","has coordinates","291592","2024-05-05","02:14:04",""
"7248349","30.9135","0.0011","13.8627","0.0005","29.9394","0.0011","90","","114.261","0.001","90","","11697.2","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C96 H128 O24 Ti7 -","- C96 H128 O24 Ti7 -","- C384 H512 O96 Ti28 -","4","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1122","0.069","","","0.1891","0.2142","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:11",""
"7248350","59.769","0.0016","25.6869","0.0006","37.7482","0.001","90","","112.768","0.002","90","","53438","2","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C185 H235 O42 Ti13 -","- C185 H235 O42 Ti13 -","- C1480 H1880 O336 Ti104 -","8","1","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1415","0.0897","","","0.257","0.2885","","","","","","1.117","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248351","22.916","0.0006","23.1929","0.0006","25.3092","0.0006","111.59","0.001","108.549","0.001","96.595","0.001","11440.4","0.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","- C358 H430 N2 O72 Ti24 -","1","0.5","","Wang, Yanyan; Xiong, Ying; Liao, Wuping","Solvent-polarity-controlled assembly of polynuclear titanium-calixarene complexes: constructing isolated {Ti7}, {Ti13}, {Ti24} and {Tb2Ti13} clusters","CrystEngComm","2024","26","17","2287","2296","10.1039/D3CE01275A","","","1.54178","CuKα","","0.1073","0.0809","","","0.2205","0.2461","","","","","","1.094","","","","has coordinates","291592","2024-05-05","02:14:23",""
"7248352","9.522","0.0015","10.5289","0.0015","13.8101","0.0019","90","","104.454","0.002","90","","1340.7","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cd N12 O8 -","- C22 H22 Cd N12 O8 -","- C44 H44 Cd2 N24 O16 -","2","0.5","","Xia, Ying-Gui; Lan, Xue; Wang, Jun; Liu, Xiao-Hong; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav","A new Cd(ii)-based coordination polymer as a luminescent sensor and adsorbent for dichromate ions","CrystEngComm","2024","26","18","2353","2360","10.1039/D4CE00256C","","","0.71073","MoKα","","0.0603","0.0371","","","0.1053","0.1272","","","","","","0.838","","","","has coordinates","292974","2024-07-05","15:34:26",""
"7248357","9.7815","0.0008","13.1368","0.0015","18.8649","0.0002","102.042","0.007","104.779","0.006","105.238","0.009","2160.5","0.4","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","- C86 H72 Cl8 Cu2 I2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.045","0.0434","","","0.1249","0.1265","","","","","","1.079","","","","has coordinates","291589","2024-05-05","02:10:14",""
"7248358","9.6943","0.0001","13.0554","0.0001","18.6809","0.0002","101.251","0.001","104.377","0.001","105.007","0.001","2125.44","0.04","293","","293","","","","","","","","","8","P -1","-P 1","2","","","","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","- C86 H72 Br2 Cl8 Cu2 N2 O2 P4 -","1","0.5","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0634","0.0603","","","0.1748","0.1779","","","","","","1.044","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248359","15.5297","0.0001","19.398","0.0002","15.0582","0.0001","90","","99.942","0.001","90","","4468.09","0.06","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Cl3 Cu N2 O2 P2 -","- C48 H42 Cl3 Cu N2 O2 P2 -","- C192 H168 Cl12 Cu4 N8 O8 P8 -","4","1","","Mou, Wen-Long; Gao, Cheng-Jie; Li, Zi-Xi; Fan, Si-Jie; Hou, Chuan-Bin; Zhao, Jing-Tong; Zhang, Shuai; Li, Zhong-Feng; Han, Hong-Liang; Duan, Chun-Bo; Wang, Guo; Jin, Qiong-Hua","Synthesis and luminescent properties of three excellent yellow emissive Cu(i) complexes based on the diphosphine ligand and the diimine ligand","CrystEngComm","2024","26","17","2297","2305","10.1039/D4CE00206G","","x-ray","1.54184","CuKα","","0.0691","0.0622","","","0.196","0.204","","","","","","1.062","","","","has coordinates","291589","2024-05-05","02:10:17",""
"7248365","11.33","0.005","15.692","0.007","25.45","0.011","90","","90","","90","","4525","3","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H19 Co N7 O9 -","- C20 H19 Co N7 O9 -","- C160 H152 Co8 N56 O72 -","8","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively unsaturated 5-nitroisophthalate based cobalt(ii) coordination polymers: efficient catalytic CO2 fixation and Hantzsch condensation","CrystEngComm","2024","26","18","2421","2432","10.1039/D4CE00102H","","","0.71073","MoKα","","0.1293","0.1105","","","0.1952","0.2039","","","","","","1.4","","","","has coordinates","292976","2024-07-05","15:34:44",""
"7248366","9.076","0.0003","14.649","0.0005","16.6993","0.0006","90","","95.558","0.001","90","","2209.81","0.13","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Co N7 O7 -","- C20 H15 Co N7 O7 -","- C80 H60 Co4 N28 O28 -","4","1","","Sahoo, Subham; Patra, Rajesh; Sarma, Debajit","Coordinatively unsaturated 5-nitroisophthalate based cobalt(ii) coordination polymers: efficient catalytic CO2 fixation and Hantzsch condensation","CrystEngComm","2024","26","18","2421","2432","10.1039/D4CE00102H","","","0.71073","MoKα","","0.0927","0.0624","","","0.0908","0.1022","","","","","","1.186","","","","has coordinates","292976","2024-07-05","15:34:45",""
"7248367","13.7185","0.0018","7.2021","0.0009","8.8003","0.0012","90","","90","","90","","869.5","0.2","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br2 N -","- C8 H5 Br2 N -","- C32 H20 Br8 N4 -","4","0.5","","Kupietz, Kamil; Gomila, Rosa M.; Roisnel, Thierry; Frontera, Antonio; Gramage-Doria, Rafael","Shortening CN⋯Br–Csp3 halogen bonds via π-stacking","CrystEngComm","2024","26","16","2131","2135","10.1039/D4CE00307A","","x-ray","0.71073","MoKα","","0.0316","0.0238","","","0.0523","0.0563","","","","","","1.045","","","","has coordinates","291595","2024-05-05","02:16:07",""
"7248377","5.424","0.0008","10.6544","0.0014","11.243","0.007","90","","101.4","0.03","90","","636.9","0.4","120.1","0.2","120.1","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H3 Cl3 N4 O5 -","- C9 H3 Cl3 N4 O5 -","- C18 H6 Cl6 N8 O10 -","2","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material","CrystEngComm","2024","26","19","2491","2497","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0463","0.0402","","","0.0687","0.0732","","","","","","0.998","","","","has coordinates","292958","2024-07-05","15:25:10",""
"7248378","6.8806","0.0004","14.1354","0.0008","10.3877","0.0005","90","","103.677","0.005","90","","981.66","0.09","116.7","0.9","116.7","0.9","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 N5 O5 -","- C8 H5 N5 O5 -","- C32 H20 N20 O20 -","4","1","","Zhao, Binshan; Kuang, Baolong; Sun, Mou; Wang, Tingwei; Zhang, Chao; Xu, Meiqi; Li, Cong; Lu, Zujia; Zhang, Jian-guo","3-(3,5-Dinitrophenyl)-5-amino-1,2,4-oxadiazole: synthesis, structure and properties of a novel insensitive energetic material","CrystEngComm","2024","26","19","2491","2497","10.1039/D4CE00201F","","x-ray","0.71073","MoKα","","0.0732","0.0476","","","0.0986","0.1161","","","","","","1.046","","","","has coordinates","292958","2024-07-05","15:25:10",""
"7248384","16.08","0.003","14.472","0.003","37.326","0.008","90","","100.611","0.008","90","","8538","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H62 K2 Mn2 N12 O20 -","- C83 H62 K2 Mn2 N12 O20 -","- C332 H248 K8 Mn8 N48 O80 -","4","0.5","","Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","26","18","2346","2352","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1797","0.0737","","","0.1871","0.248","","","","","","1.026","","","","has coordinates,has disorder","292975","2024-07-05","15:34:37",""
"7248385","15.761","0.0011","14.5644","0.0009","36.558","0.003","90","","97.921","0.002","90","","8311.8","1","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H57 K2 N13 Ni2 O18 -","- C83 H57 K2 N13 Ni2 O18 -","- C332 H228 K8 N52 Ni8 O72 -","4","0.5","","Mendoza-Báez, Raúl; Molina-Renteria, Alan; Olguín, Juan","Nitro group and K±based secondary building units for the self-assembly of 3D coordination polymers built on dinuclear dianionic helicate connectors","CrystEngComm","2024","26","18","2346","2352","10.1039/D4CE00255E","","","0.71073","MoKα","","0.1076","0.0642","","","0.1671","0.1879","","","","","","1.066","","","","has coordinates","292975","2024-07-05","15:34:37",""
"7248386","7.4377","0.0003","14.7657","0.0004","23.7592","0.0007","90","","93.154","0.003","90","","2605.35","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 N2 O3 S -","- C33 H26 N2 O3 S -","- C132 H104 N8 O12 S4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0513","0.0403","","","","0.119","","","","","","1.0803","","","","has coordinates","292973","2024-07-05","15:34:19",""
"7248387","8.0458","0.0005","13.1703","0.0009","14.8309","0.0013","74.204","0.007","74.975","0.006","86.981","0.005","1460.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H28 N2 O3 S -","- C39 H28 N2 O3 S -","- C78 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.074","0.0554","","","","0.136","","","","","","0.9788","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248388","15.948","0.0006","6.6074","0.0003","14.6479","0.0006","90","","90","","90","","1543.52","0.11","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H15 N O -","- C21 H15 N O -","- C84 H60 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","0.71073","MoKα","","0.0623","0.048","","","0.107","0.1198","","","","","","1.0901","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248389","15.5838","0.0015","6.6875","0.0006","18.8389","0.0019","90","","107.494","0.011","90","","1872.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 N O -","- C27 H17 N O -","- C108 H68 N4 O4 -","4","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.0631","0.0432","","","0.1143","0.1357","","","","","","1.0493","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248390","10.5913","0.0007","11.8069","0.0007","12.2854","0.0007","103.279","0.005","103.085","0.005","96.474","0.005","1434.23","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H28 N2 O3 S -","- C37 H28 N2 O3 S -","- C74 H56 N4 O6 S2 -","2","1","","Sehlangia, Suman; Dogra, Surbhi; Mondal, Prosenjit; Pradeep, Chullikkattil P.","New 8-hydroxy quinoline-polycyclic aromatic hydrocarbon (PAH) conjugates and their sulfonated derivatives: effects of sulfonation and PAH size on their structural, supramolecular and cytotoxic properties","CrystEngComm","2024","26","18","2361","2372","10.1039/D4CE00105B","","x-ray","1.54184","CuKα","","0.052","0.0415","","","0.1079","0.1172","","","","","","1.0575","","","","has coordinates","292973","2024-07-05","15:34:20",""
"7248397","4.4917","0.0006","5.4314","0.0008","8.3789","0.0012","90","","90","","90","","204.41","0.05","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","- B4 Co1.76 Ni4.24 O12 -","1","0.125","","Sofronova, Svetlana; Moshkina, Evgeniya; Chernyshev, Artem; Vasiliev, Aleksandr; Maximov, Nikolai G.; Aleksandrovsky, Aleksandr; Andryushchenko, Tatyana; Shabanov, Aleksandr","Crystal growth and cation order of Ni3−xCoxB2O6 oxyborates","CrystEngComm","2024","26","19","2536","2543","10.1039/D4CE00091A","","","0.71073","MoKα","","0.0321","0.0288","","","0.0783","0.0838","","","","","","1.164","","","","has coordinates","292954","2024-07-05","15:23:33",""
"7248398","14.3876","0.0008","14.3876","0.0008","15.9256","0.001","90","","90","","120","","2855","0.3","296","2","296","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H40.5 Co3 Dy2 O39 -","- C24 H40.5 Co3 Dy2 O39 -","- C48 H81 Co6 Dy4 O78 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0603","0.0315","","","0.0909","0.1101","","","","","","1.103","","","","has coordinates,has disorder","292961","2024-07-05","15:28:28",""
"7248399","25.5971","0.0007","25.5971","0.0007","25.5971","0.0007","90","","90","","90","","16771.5","0.8","296","2","296","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H42 Co3 O39 Y2 -","- C24 H42 Co3 O39 Y2 -","- C384 H672 Co48 O624 Y32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","","0.71073","MoKα","","0.0498","0.0332","","","0.0923","0.1094","","","","","","1.122","","","","has coordinates,has disorder","292961","2024-07-05","15:28:29",""
"7248400","25.8541","0.0005","25.8541","0.0005","25.8541","0.0005","90","","90","","90","","17281.8","0.6","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Eu2 O39 -","- C24 H30 Co3 Eu2 O39 -","- C384 H480 Co48 Eu32 O624 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0458","0.0336","","","0.0721","0.0802","","","","","","1.154","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248401","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1462","0.1574","","","","","","1.155","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248402","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248403","25.4349","0.0002","25.4349","0.0002","25.4349","0.0002","90","","90","","90","","16454.7","0.2","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Lu2 O38 -","- C24 H30 Co3 Lu2 O37.9998 -","- C384 H480 Co48 Lu32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0236","0.0213","","","0.0668","0.0682","","","","","","1.218","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248404","15.2306","0.0002","15.2306","0.0002","15.2343","0.0003","90","","90","","120","","3060.46","0.08","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Ce2 Co3 O40.5 -","- C24 H30 Ce2 Co3 O40.5 -","- C48 H60 Ce4 Co6 O81 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.032","0.0276","","","0.1031","0.1074","","","","","","1.011","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248405","15.2346","0.0003","15.2346","0.0003","15.2447","0.0003","90","","90","","120","","3064.16","0.1","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Pr2 -","- C24 H30 Co3 O40.5 Pr2 -","- C48 H60 Co6 O81 Pr4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0394","0.0325","","","0.1291","0.1359","","","","","","1.076","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248406","14.8895","0.0009","14.8895","0.0009","15.5803","0.0009","90","","90","","120","","2991.3","0.3","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Sm2 -","- C24 H36 Co3 O37.0002 Sm2 -","- C48 H72 Co6 O74.0004 Sm4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0721","0.0463","","","0.1459","0.1628","","","","","","1.096","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248407","14.5351","0.0009","14.5351","0.0009","15.8928","0.001","90","","90","","120","","2907.8","0.3","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Ho2 O40.5 -","- C24 H30 Co3 Ho2 O40.5 -","- C48 H60 Co6 Ho4 O81 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0417","0.0292","","","0.0863","0.0933","","","","","","1.056","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248408","25.5505","0.0008","25.5505","0.0008","25.5505","0.0008","90","","90","","90","","16680.1","0.9","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 Ho2 O38 -","- C24 H30 Co3 Ho2 O37.9998 -","- C384 H480 Co48 Ho32 O607.997 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0359","0.0257","","","0.077","0.0859","","","","","","1.165","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248409","14.826","0.0005","14.826","0.0005","15.6527","0.0005","90","","90","","120","","2979.67","0.17","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Eu2 O37 -","- C24 H30 Co3 Eu2 O37.0002 -","- C48 H60 Co6 Eu4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0529","0.0355","","","0.0907","0.0974","","","","","","1.133","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248410","14.5233","0.0006","14.5233","0.0006","15.8044","0.0007","90","","90","","120","","2886.9","0.2","298","2","298","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 O40.5 Y2 -","- C24 H30 Co3 O40.5 Y2 -","- C48 H60 Co6 O81 Y4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","1.54184","CuKα","","0.0424","0.0399","","","0.1293","0.133","","","","","","1.124","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248411","25.4426","0.001","25.4426","0.001","25.4426","0.001","90","","90","","90","","16469.7","1.1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O38 Yb2 -","- C24 H30 Co3 O37.9998 Yb2 -","- C384 H480 Co48 O607.997 Yb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0536","0.0293","","","0.0879","0.1072","","","","","","1.074","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248412","25.6646","0.0011","25.6646","0.0011","25.6646","0.0011","90","","90","","90","","16904.5","1.3","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H36 Co3 O39 Tb2 -","- C24 H36 Co3 O39 Tb2 -","- C384 H576 Co48 O624 Tb32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0473","0.0325","","","0.0732","0.08","","","","","","1.197","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248413","14.6496","0.0005","14.6496","0.0005","15.7485","0.0006","90","","90","","120","","2926.99","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H36 Co3 O37 Tb2 -","- C24 H36 Co3 O37.0002 Tb2 -","- C48 H72 Co6 O74.0004 Tb4 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.059","0.0416","","","0.1066","0.1147","","","","","","1.163","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248414","25.4416","0.0009","25.4416","0.0009","25.4416","0.0009","90","","90","","90","","16467.7","1","298","2","298","2","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","","","- C24 H30 Co3 O39 Tm2 -","- C24 H30 Co3 O39 Tm2 -","- C384 H480 Co48 O624 Tm32 -","16","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0572","0.0327","","","0.0905","0.109","","","","","","1.152","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248415","14.7363","0.0005","14.7363","0.0005","15.6706","0.0006","90","","90","","120","","2947.09","0.18","293","2","293","2","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","","- C24 H30 Co3 Gd2 O37 -","- C24 H30 Co3 Gd2 O37.0002 -","- C48 H60 Co6 Gd4 O74.0004 -","2","0.0833333","","Igoa Saldaña, Fernando; López, Agustín; González-Platas, Javier; Suescun, Leopoldo; Kremer, Carlos; Torres, Julia","Extended isomerism in heteronuclear metal–organic frameworks: synthetic strategies and crystal structures of lanthanide–cobalt–oxydiacetate systems","CrystEngComm","2024","26","19","2560","2570","10.1039/D4CE00168K","","x-ray","0.71073","MoKα","","0.0657","0.0453","","","0.1463","0.1574","","","","","","1.156","","","","has coordinates","292961","2024-07-05","15:28:29",""
"7248436","8.7307","0.0003","16.6328","0.0007","9.6082","0.0004","90","","100.146","0.001","90","","1373.45","0.09","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N9 O Pb -","- C11 H9 N9 O Pb -","- C44 H36 N36 O4 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0175","0.0144","","","0.0303","0.0311","","","","","","1.09","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248437","7.1869","0.0003","18.1539","0.0007","10.3088","0.0004","90","","97.142","0.002","90","","1334.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O3 Pb -","- C11 H9 N7 O3 Pb -","- C44 H36 N28 O12 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0238","0.0199","","","0.0457","0.0473","","","","","","1.071","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248438","8.4135","0.0007","16.6666","0.0012","10.1721","0.0007","90","","95.905","0.002","90","","1418.81","0.18","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N7 O Pb S -","- C12 H9 N7 O Pb S -","- C48 H36 N28 O4 Pb4 S4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0293","0.0214","","","0.0422","0.0445","","","","","","1.032","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248439","7.1282","0.0003","16.9244","0.0006","12.1283","0.0005","90","","104.343","0.001","90","","1417.56","0.1","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N7 O4 Pb -","- C11 H9 N7 O4 Pb -","- C44 H36 N28 O16 Pb4 -","4","1","","Mahmoudi, Ghodrat; García-Santos, Isabel; Fernández-Vázquez, Roi; Gomila, Rosa M.; Castiñeiras, Alfonso; Doustkhah, Esmail; Zangrando, Ennio; Frontera, Antonio","Structural diversity and tetrel bonding significance in lead(ii) complexes with pyrazoylisonicotinoylhydrazone and varied anionic co-ligands","CrystEngComm","2024","26","19","2526","2535","10.1039/D4CE00325J","","","0.71073","MoKα","","0.0415","0.0341","","","0.0849","0.0883","","","","","","1.228","","","","has coordinates","292956","2024-07-05","15:24:17",""
"7248440","4.804","0.001","18.247","0.004","9.818","0.002","90","","104","0.03","90","","835.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(H2dobpdc)(GuaH)2","","- C16 H20 N6 O6 -","- C16 H20 N6 O6 -","- C32 H40 N12 O12 -","2","0.5","","Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won","A highly stable hydrogen-bonded organic framework for hydrogen storage","CrystEngComm","2024","26","18","2342","2345","10.1039/D4CE00245H","","","0.7","","","0.0818","0.0806","","","0.2449","0.2481","","","","","","1.142","","","","has coordinates","292977","2024-07-05","15:34:50",""
"7248441","5.7433","0.0005","7.1269","0.0008","9.2269","0.0009","111.701","0.003","89.034","0.004","111.392","0.003","323.68","0.06","100","0.5","100","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0266","0.0259","","","0.0749","0.0757","","","","","","1.088","","","","has coordinates","292959","2024-07-05","15:26:46",""
"7248442","5.7891","0.0005","7.1855","0.0008","9.3","0.0009","111.813","0.003","89.307","0.004","111.525","0.003","330.64","0.06","200","0.5","200","0.5","","","","","","","","2","P -1","-P 1","2","","","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.029","0.028","","","0.0832","0.0848","","","","","","1.124","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248443","5.8708","0.0007","7.2213","0.0007","9.3736","0.0012","111.871","0.003","90.014","0.004","111.475","0.003","338.87","0.07","290","2","290","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0543","0.05","","","0.1375","0.1465","","","","","","1.147","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248444","5.7954","0.0003","7.1695","0.0003","9.3027","0.0005","111.803","0.0013","89.4664","0.0016","111.572","0.0015","330.1","0.03","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.037","0.0349","","","0.0974","0.1007","","","","","","1.147","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248445","5.7499","0.0003","7.1098","0.0003","9.2311","0.0005","111.689","0.0011","89.194","0.0014","111.435","0.0013","323.19","0.03","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0321","0.0309","","","0.0864","0.0885","","","","","","1.077","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248446","5.94","0.002","7.257","0.002","9.19","0.002","111.733","0.01","89.911","0.01","113.546","0.009","332.33","0.17","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0977","0.0872","","","0.2249","0.2401","","","","","","1.047","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248447","11.925","0.0015","8.2439","0.0011","17.812","0.003","90","","101.364","0.004","90","","1716.7","0.4","100","2","100","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0937","0.0886","","","0.1674","0.1698","","","","","","1.205","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248448","11.9439","0.0013","8.2503","0.0009","17.847","0.002","90","","101.343","0.003","90","","1724.3","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in moclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0784","0.0739","","","0.1461","0.1488","","","","","","1.185","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248449","5.267","0.0002","10.4832","0.0004","7.8148","0.0002","90","","90.8405","0.0013","90","","431.45","0.03","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0356","0.0341","","","0.0815","0.0828","","","","","","1.1","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248450","17.1772","0.001","6.2586","0.0002","13.1557","0.0007","90","","106.43","0.0015","90","","1356.56","0.12","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C10 F18 -","- C40 F72 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.064","0.0501","","","0.1412","0.1741","","","","","","1.13","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248451","11.9467","0.0012","8.2518","0.0009","17.853","0.002","90","","101.341","0.003","90","","1725.6","0.3","120","2","120","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0782","0.0738","","","0.1425","0.1448","","","","","","1.19","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248452","8.2665","0.0007","10.5488","0.0007","11.9705","0.001","113.55","0.002","90.196","0.003","112.709","0.002","867.25","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0427","","","0.095","0.1009","","","","","","1.072","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248453","6.0143","0.0018","7.3233","0.0019","9.274","0.002","111.955","0.009","90.006","0.009","113.796","0.008","341.11","0.16","230","2","230","2","","","","","","","","2","P -1","-P 1","2","","trans-Perfluorodecalin (disordered, crystallized from cis-trans mixture)","","- C10 F18 -","- C10 F18 -","- C10 F18 -","1","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0966","0.0744","","","0.1951","0.2282","","","","","","1.071","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248454","8.2634","0.0009","10.5357","0.0009","11.9616","0.0012","113.547","0.003","90.218","0.003","112.694","0.003","865.27","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0486","0.0411","","","0.0953","0.1028","","","","","","1.056","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248455","17.0062","0.0011","6.2091","0.0003","13.0007","0.0008","90","","105.502","0.0018","90","","1322.85","0.13","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","cis-Perfluorodecalin","","- C10 F18 -","- C9.99 F17.982 -","- C39.96 F71.928 -","4","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.053","0.0444","","","0.1091","0.1217","","","","","","1.144","","","","has coordinates,has disorder","292959","2024-07-05","15:26:47",""
"7248456","8.277","0.0004","10.5807","0.0004","11.9867","0.0005","113.506","0.0012","90.1279","0.0014","112.79","0.0012","872.11","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0495","0.0417","","","0.1011","0.1084","","","","","","1.046","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248457","8.2635","0.0009","10.5367","0.0009","11.9622","0.0012","113.553","0.003","90.215","0.003","112.692","0.003","865.38","0.15","110","2","110","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0496","0.0423","","","0.0965","0.1025","","","","","","1.061","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248458","8.2665","0.0007","10.5475","0.0007","11.9704","0.0009","113.554","0.002","90.201","0.003","112.704","0.002","867.12","0.12","120","2","120","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0422","","","0.0946","0.1021","","","","","","1.079","","","","has coordinates","292959","2024-07-05","15:26:47",""
"7248459","8.2775","0.0004","10.5829","0.0004","11.9879","0.0005","113.506","0.0011","90.1124","0.0013","112.805","0.0012","872.36","0.07","140","2","140","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0505","0.0424","","","0.1036","0.1124","","","","","","1.066","","","","has coordinates,has disorder","292959","2024-07-05","15:26:48",""
"7248460","5.3191","0.0002","10.564","0.0004","7.858","0.0002","90","","90.7843","0.0014","90","","441.51","0.03","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","trans-Decalin","","- C10 H18 -","- C10 H18 -","- C20 H36 -","2","0.5","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0413","0.039","","","0.094","0.0963","","","","","","1.146","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248461","8.2602","0.0009","10.5243","0.0009","11.9532","0.0012","113.547","0.003","90.225","0.003","112.687","0.003","863.42","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0503","0.0423","","","0.0922","0.099","","","","","","1.053","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248462","11.9735","0.0007","8.2678","0.0005","17.9172","0.0012","90","","101.36","0.0017","90","","1738.95","0.19","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0549","0.0494","","","0.115","0.1198","","","","","","1.065","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248463","8.2823","0.0005","10.6037","0.0005","11.9909","0.0007","113.428","0.0016","90.0435","0.0019","112.888","0.0017","875.02","0.09","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.05","0.0414","","","0.0978","0.1061","","","","","","1.027","","","","has coordinates,has disorder","292959","2024-07-05","15:26:48",""
"7248464","11.9376","0.0014","8.2488","0.001","17.833","0.002","90","","101.352","0.003","90","","1721.7","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.085","0.0806","","","0.1539","0.1561","","","","","","1.194","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248465","11.9334","0.0014","8.2466","0.001","17.828","0.002","90","","101.35","0.003","90","","1720.1","0.3","110","2","110","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0856","0.0816","","","0.159","0.1609","","","","","","1.198","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248466","11.9609","0.001","8.2593","0.0007","17.8832","0.0017","90","","101.342","0.002","90","","1732.2","0.3","132","2","132","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0675","0.0627","","","0.1283","0.1317","","","","","","1.17","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248467","11.9706","0.0008","8.2662","0.0006","17.9123","0.0013","90","","101.359","0.0018","90","","1737.7","0.2","140","2","140","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0561","0.0511","","","0.1157","0.1199","","","","","","1.089","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248468","8.2699","0.0007","10.5607","0.0007","11.9762","0.001","113.534","0.002","90.179","0.003","112.733","0.003","869","0.12","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0409","","","0.0937","0.1004","","","","","","1.044","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248469","8.2712","0.0006","10.5654","0.0005","11.9798","0.0008","113.539","0.0018","90.16","0.002","112.747","0.0018","869.69","0.1","130","2","130","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (LT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.048","0.0406","","","0.0938","0.1003","","","","","","1.059","","","","has coordinates","292959","2024-07-05","15:26:48",""
"7248470","11.9553","0.0011","8.2563","0.0008","17.8738","0.0018","90","","101.343","0.003","90","","1729.8","0.3","130","2","130","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (LT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0688","0.0643","","","0.1311","0.1339","","","","","","1.168","","","","has coordinates","292959","2024-07-05","15:26:49",""
"7248471","11.9833","0.0005","8.277","0.0003","17.9669","0.0008","90","","101.402","0.001","90","","1746.89","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0459","0.0399","","","0.1014","0.1074","","","","","","1.056","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248472","11.984","0.0005","8.2774","0.0003","17.9659","0.0008","90","","101.4","0.001","90","","1746.99","0.12","150","2","150","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0462","0.041","","","0.0959","0.1004","","","","","","1.037","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248473","8.2827","0.0003","10.6032","0.0003","11.9913","0.0004","113.435","0.0008","90.043","0.0009","112.881","0.0008","875.04","0.05","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0422","","","0.0967","0.1043","","","","","","1.04","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248474","11.9843","0.0004","8.2804","0.0003","18.0191","0.0006","90","","101.469","0.001","90","","1752.42","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0469","0.0412","","","0.0992","0.1052","","","","","","1.043","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248475","8.2845","0.0003","10.6177","0.0003","11.989","0.0004","113.302","0.0008","90.0282","0.0009","112.879","0.0009","877.41","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0506","0.0408","","","0.1014","0.1112","","","","","","1.053","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248476","11.9832","0.0004","8.2803","0.0003","18.0209","0.0006","90","","101.473","0.001","90","","1752.39","0.1","160","2","160","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0461","0.0398","","","0.0993","0.1061","","","","","","1.045","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248477","8.2855","0.0003","10.6479","0.0003","11.9802","0.0004","112.957","0.001","90.018","0.001","112.818","0.001","882.64","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0604","0.0469","","","0.1125","0.1257","","","","","","1.038","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248478","8.2838","0.0003","10.6169","0.0003","11.9887","0.0004","113.31","0.0008","90.025","0.001","112.879","0.0009","877.19","0.05","160","2","160","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.051","0.042","","","0.1038","0.1137","","","","","","1.071","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248479","11.9781","0.0004","8.2808","0.0003","18.0841","0.0007","90","","101.568","0.001","90","","1757.29","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0484","0.0409","","","0.1037","0.1111","","","","","","1.048","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248480","8.2847","0.0003","10.6319","0.0003","11.9834","0.0004","113.132","0.0009","90.0204","0.001","112.854","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0565","0.045","","","0.1057","0.1164","","","","","","1.023","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248481","8.2852","0.0003","10.6314","0.0003","11.9844","0.0004","113.141","0.0009","90.0216","0.001","112.856","0.0009","879.77","0.05","170","2","170","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0551","0.0442","","","0.1074","0.1194","","","","","","1.055","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248482","8.2862","0.0003","10.6476","0.0003","11.9806","0.0004","112.961","0.0009","90.022","0.001","112.819","0.001","882.66","0.05","180","2","180","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0605","0.0473","","","0.1143","0.1286","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248483","11.9739","0.0004","8.2807","0.0003","18.1504","0.0007","90","","101.666","0.001","90","","1762.48","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0504","0.0419","","","0.1046","0.1135","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248484","11.9791","0.0004","8.2813","0.0003","18.0809","0.0007","90","","101.564","0.001","90","","1757.26","0.11","170","2","170","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0477","0.0412","","","0.1007","0.1083","","","","","","1.044","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248485","8.286","0.0007","10.6634","0.0007","11.9779","0.0009","112.795","0.002","90.023","0.002","112.784","0.002","885.34","0.12","190","2","190","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0635","0.0493","","","0.1195","0.1341","","","","","","1.055","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248486","8.2873","0.0004","10.7178","0.0003","11.9719","0.0005","112.29","0.0011","90.0213","0.0012","112.663","0.0012","894.47","0.06","220","2","220","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0778","0.0555","","","0.1333","0.1576","","","","","","1.046","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248487","11.9678","0.0005","8.2815","0.0004","18.3482","0.0009","90","","101.921","0.0012","90","","1779.3","0.14","210","2","210","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0583","0.046","","","0.1144","0.1281","","","","","","1.079","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248488","11.9719","0.0005","8.2815","0.0003","18.2151","0.0008","90","","101.755","0.0011","90","","1768.06","0.13","190","2","190","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0519","0.0433","","","0.1051","0.1134","","","","","","1.051","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248489","8.2864","0.0007","10.6979","0.0007","11.9743","0.001","112.477","0.002","90.024","0.003","112.708","0.003","891.07","0.12","210","2","210","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0716","0.0536","","","0.1342","0.1557","","","","","","1.075","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248490","11.9744","0.0004","8.2815","0.0003","18.1491","0.0007","90","","101.664","0.001","90","","1762.61","0.11","180","2","180","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0507","0.0429","","","0.1061","0.1144","","","","","","1.056","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248491","11.9701","0.0005","8.2817","0.0004","18.2789","0.0009","90","","101.838","0.0012","90","","1773.5","0.14","200","2","200","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0557","0.0457","","","0.11","0.1195","","","","","","1.087","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248492","8.2858","0.0004","10.6794","0.0003","11.9757","0.0005","112.64","0.0011","90.0236","0.0012","112.75","0.0012","887.97","0.06","200","2","200","2","","","","","","","","2","P -1","-P 1","2","","cis-Decalin (HT form refined in triclinic SG)","","- C10 H18 -","- C10 H18 -","- C40 H72 -","4","2","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.068","0.0519","","","0.1233","0.1393","","","","","","1.076","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248493","11.9659","0.0005","8.2828","0.0004","18.427","0.0009","90","","102.019","0.0012","90","","1786.28","0.14","220","2","220","2","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","cis-Decalin (HT form refined in monoclinic SG)","","- C10 H18 -","- C10 H18 -","- C80 H144 -","8","1","","Paska, Bartłomiej; Cichowicz, Grzegorz; Rzepiński, Patryk; Cyrański, Michał Ksawery; Dobrzycki, Łukasz; Boese, Roland","Structural chemistry of decalins and perfluorodecalins","CrystEngComm","2024","26","19","2474","2490","10.1039/D3CE01117H","","","0.71073","MoKα","","0.0628","0.0477","","","0.1119","0.1258","","","","","","1.024","","","","has coordinates,has disorder","292959","2024-07-05","15:26:49",""
"7248497","4.7256","0.0003","16.4363","0.0011","9.9536","0.0006","90","","91.715","0.006","90","","772.76","0.09","100","2","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H6 F6 N4 O2 -","- C16 H6 F6 N4 O2 -","- C32 H12 F12 N8 O4 -","2","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","26","19","2459","2462","10.1039/D4CE00318G","","","1.54184","CuKα","","0.0864","0.0788","","","0.1939","0.1991","","","","","","1.045","","","","has coordinates","292955","2024-07-05","15:23:48",""
"7248498","26.1617","0.0004","26.1617","0.0004","16.6663","0.0003","90","","90","","120","","9878.7","0.3","250","2","250.15","","","","","","","","","6","P 63/m c m","-P 6c 2","193","MAF-50","","","- C18 H8 F6 N4 O5 Zn2 -","- C18 H8 F6 N4 O5 Zn2 -","- C216 H96 F72 N48 O60 Zn24 -","12","0.5","","Yi, Heng; Zhou, Mu-Yang; Ye, Le; Lu, Xiao-Tong; Zhou, Dong-Dong; Zhang, Jie-Peng","A stable metal azolate framework with rare nonintersecting one-/two-dimensional pore channels","CrystEngComm","2024","26","19","2459","2462","10.1039/D4CE00318G","","","1.54184","CuKα","","0.1015","0.0891","","","0.2478","0.2666","","","","","","1.025","","","","has coordinates,has disorder","292955","2024-07-05","15:23:49",""
"7248499","13.7521","0.0002","22.0007","0.0003","13.9604","0.0002","90","","105.595","0.002","90","","4068.31","0.11","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H37 O4 P S -","- C16 H37 O4 P S -","- C128 H296 O32 P8 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.071","0.063","","","0.1532","0.1594","","","","","","1.0448","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248500","7.62801","0.00013","7.62801","0.00013","11.63","0.0003","90","","90","","90","","676.71","0.02","295","","295","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","","","- C8 H24 O4 P2 S -","- C8 H24 O4 P2 S -","- C16 H48 O8 P4 S2 -","2","0.125","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.0387","0.0349","","0.0428","0.0423","","","","1.67","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248501","9.1506","0.0009","14.1196","0.0014","9.8428","0.001","90","","90.112","0.008","90","","1271.7","0.2","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C32 H84 O16 P4 S4 -","4","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.79031","CoKα","","0.055","0.0488","","0.0452","0.0444","","","","2.6088","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248502","8.2712","0.0007","9.0723","0.0005","9.5156","0.0005","91.535","0.005","108.541","0.007","113.825","0.007","609.29","0.09","99.9","0.3","99.9","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C8 H21 O4 P S -","- C8 H21 O4 P S -","- C16 H42 O8 P2 S2 -","2","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.08","0.0448","","","0.236","0.117","","","","","","1.0145","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248503","9.2928","0.0002","11.3811","0.0002","20.3088","0.0004","90","","96.149","0.002","90","","2135.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrabutylphosphonium sulfate","","- C16 H40 O4 P2 S -","- C16 H40 O4 P2 S -","- C64 H160 O16 P8 S4 -","4","1","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0373","0.0324","","","0.0814","0.0829","","","","","","1.0313","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248504","9.2417","0.0002","7.2041","0.0001","26.6728","0.0005","90","","96.924","0.002","90","","1762.87","0.06","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H13 O4 P S -","- C4 H13 O4 P S -","- C32 H104 O32 P8 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0461","0.0345","","","0.0928","0.1025","","","","","","1.0326","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248505","14.0628","0.0003","14.5829","0.0004","21.8594","0.0006","90","","99.451","0.002","90","","4422","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H42 O5 P2 S -","- C16 H42 O5 P2 S -","- C128 H336 O40 P16 S8 -","8","2","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.1044","0.0809","","","0.174","0.1892","","","","","","1.064","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248506","13.4285","0.0002","13.4285","0.0002","9.4154","0.0002","90","","90","","90","","1697.83","0.05","100","0.1","100","0.1","","","","","","","","6","I -4","I -4","82","","","","- C20 H12 Al F36 O4 P -","- C20 H12 Al F36 O4 P -","- C40 H24 Al2 F72 O8 P2 -","2","0.25","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.0374","0.037","","","0.0999","0.1003","","","","","","1.0428","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248507","14.5323","0.0006","14.5323","0.0006","28.7233","0.0014","90","","90","","120","","5253.3","0.4","295","","295","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C8 H20 Br P -","- C8 H20 Br P -","- C144 H360 Br18 P18 -","18","0.5","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0675","0.0616","","0.0744","0.0736","","","","3.8867","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248508","21.3719","0.0001","12.2556","0.0001","17.2118","0.0001","90","","90","","90","","4508.21","0.05","99.99","0.1","99.99","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Ag2 Br3 P -","- C8 H20 Ag2 Br3 P -","- C96 H240 Ag24 Br36 P12 -","12","1.5","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","","x-ray","1.54184","CuKα","","0.03","0.0296","","","0.0862","0.0866","","","","","","1.0433","","","","has coordinates,has disorder","292968","2024-07-05","15:31:50",""
"7248509","7.02188","0.00005","7.02188","0.00005","10.03217","0.00012","90","","90","","120","","428.383","0.007","295","","295","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- C4 H12 Br P -","- C4 H12 Br P -","- C8 H24 Br2 P2 -","2","0.166667","","Gawraczyński, Jakub; Leszczyński, Piotr J.; Cyrański, Michał K.; Dobrzycki, Łukasz; Koźmiński, Wiktor; Fijałkowski, Karol J.; Grochala, Wojciech; Jaroń, Tomasz","Synthesis and structural trends in a series of simple tetraalkylphosphonium salts","CrystEngComm","2024","26","20","2673","2682","10.1039/D4CE00210E","powder diffraction","x-ray","1.78892","CoKα","","0.0172","0.0162","","0.0192","0.0191","","","","1.6492","","","","","","","has coordinates","292968","2024-07-05","15:31:50",""
"7248510","11.911","0.004","7.52","0.003","12.479","0.005","90","","117.134","0.009","90","","994.7","0.7","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","of 2,3-bis(5-iodo-2-methylthiophen-3-yl)naphthalene-1,4-dione","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","26","19","2510","2517","10.1039/D4CE00112E","","","0.71073","MoKα","","0.1261","0.052","","","0.1111","0.1358","","","","","","0.99","","","","has coordinates,has disorder","292957","2024-07-05","15:24:50",""
"7248511","11.9319","0.001","7.4644","0.0006","12.4586","0.001","90","","117.024","0.002","90","","988.47","0.14","296.15","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H12 I2 O2 S2 -","- C20 H12 I2 O2 S2 -","- C40 H24 I4 O4 S4 -","2","1","","Myers, Shea D.; Marr, Zoe Y.; Sency, Jade A.; Mitchell, Travis B.; Benedict, Jason B.; Patel, Dinesh G.","Crystallographic, spectroscopic, and computational characterization of a diiodonaphthoquinone diarylethene photochrome: halogen bonding and photocrystallography","CrystEngComm","2024","26","19","2510","2517","10.1039/D4CE00112E","","","0.71073","MoKα","","0.0768","0.0432","","","0.1184","0.1317","","","","","","1.106","","","","has coordinates","292957","2024-07-05","15:24:51",""
"7248523","17.3426","0.0003","9.3673","0.0001","15.5652","0.0003","90","","110.316","0.002","90","","2371.32","0.07","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ce O12 -","- C24 H24 Ce O12 -","- C96 H96 Ce4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0366","0.0298","","","0.0725","0.0757","","","","","","1.046","","","","has coordinates","292985","2024-07-05","15:36:37",""
"7248524","17.2951","0.0005","9.2984","0.0002","15.4981","0.0004","90","","111.988","0.003","90","","2311.07","0.11","297.03","0.1","297.03","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Gd O12 -","- C24 H24 Gd O12 -","- C96 H96 Gd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0441","0.0305","","","0.0655","0.071","","","","","","1.06","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248525","17.4448","0.0004","9.2686","0.0002","15.5561","0.0005","90","","112.084","0.003","90","","2330.71","0.12","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Pr -","- C24 H24 O12 Pr -","- C96 H96 O48 Pr4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0397","0.0325","","","0.0829","0.0872","","","","","","1.028","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248526","17.2906","0.0007","9.2222","0.0002","15.3769","0.0006","90","","112.651","0.004","90","","2262.83","0.15","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Dy O12 -","- C24 H24 Dy O12 -","- C96 H96 Dy4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.0355","0.0262","","","0.0599","0.0644","","","","","","1.038","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248527","17.3235","0.0007","9.227","0.0003","15.4275","0.0006","90","","112.661","0.005","90","","2275.62","0.17","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O12 Tb -","- C24 H24 O12 Tb -","- C96 H96 O48 Tb4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","0.71073","MoKα","","0.039","0.0263","","","0.0555","0.0583","","","","","","1.051","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248528","17.4259","0.0003","9.2729","0.0001","15.48","0.0003","90","","112.308","0.002","90","","2314.18","0.07","100","0.3","100","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Nd O12 -","- C24 H24 Nd O12 -","- C96 H96 Nd4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0418","0.0382","","","0.1051","0.1081","","","","","","0.997","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248529","17.2995","0.0003","9.3193","0.0001","15.4902","0.0002","90","","111.9","0.002","90","","2317.1","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Eu O12 -","- C24 H24 Eu O12 -","- C96 H96 Eu4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0397","0.0337","","","0.0873","0.0899","","","","","","1.121","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248530","17.2512","0.0004","9.2096","0.0002","15.3351","0.0004","90","","112.636","0.003","90","","2248.71","0.1","100","0.4","100","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Ho O12 -","- C24 H24 Ho O12 -","- C96 H96 Ho4 O48 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0486","0.0409","","","0.113","0.1192","","","","","","1.035","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248531","17.3836","0.0003","9.244","0.0001","15.4813","0.0003","90","","112.62","0.002","90","","2296.38","0.07","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O12 Sm -","- C24 H24 O12 Sm -","- C96 H96 O48 Sm4 -","4","1","","Guan, Ming-Xue; Li, Hui-Zi; Li, Shangda; Yang, Han-Jiang; Wang, Fei; Zhang, Jian","Syntheses, crystal structures and properties of a series of isostructural lanthanide organic frameworks","CrystEngComm","2024","26","21","2770","2774","10.1039/D4CE00292J","","x-ray","1.3405","GaKα","","0.0353","0.0277","","","0.066","0.0693","","","","","","1.035","","","","has coordinates","292985","2024-07-05","15:36:38",""
"7248532","18.4944","0.0008","23.2557","0.0011","5.4935","0.0002","90","","90","","90","","2362.76","0.17","170","","170","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.0909","0.0516","","","0.1026","0.1215","","","","","","1.081","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248533","13.421","0.005","6.843","0.003","14.762","0.004","90","","101.98","0.012","90","","1326.2","0.8","170","","170","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H32 N2 O6 -","- C31 H32 N2 O6 -","- C62 H64 N4 O12 -","2","0.5","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1214","0.0719","","","0.1621","0.1985","","","","","","1.063","","","","has coordinates,has disorder","292938","2024-07-05","15:18:01",""
"7248534","18.37","0.004","23.19","0.008","5.466","0.0016","90","","90","","90","","2328.5","1.2","100","","100","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1097","0.0657","","","0.1361","0.1592","","","","","","1.06","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248535","20.106","0.004","5.4996","0.001","23.399","0.005","90","","114.231","0.005","90","","2359.4","0.8","170","","170","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C26 H33 N O8 -","- C26 H33 N O8 -","- C104 H132 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1541","0.0993","","","0.1837","0.2087","","","","","","1.09","","","","has coordinates,has disorder","292938","2024-07-05","15:18:01",""
"7248536","15.254","0.003","7.9952","0.0014","20.5","0.003","90","","96.512","0.005","90","","2484","0.7","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O8 -","- C26 H35 N O8 -","- C104 H140 N4 O32 -","4","1","","Tian, Fanyu; Xia, Mengyuan; Wang, Hao; Zhang, Bingrui; Ding, Zhenfeng; Rong, Xiaoyi; Zhu, Bingqing; Mei, Xuefeng","New solid forms of tetrahydrocurcumin with improved solubility","CrystEngComm","2024","26","24","3232","3239","10.1039/D4CE00259H","","","0.71073","MoKα","","0.1791","0.0871","","","0.1623","0.2048","","","","","","1.039","","","","has coordinates","292938","2024-07-05","15:18:01",""
"7248545","7.6976","0.0005","7.8986","0.0005","10.982","0.0007","108.974","0.003","90.541","0.003","114.662","0.003","565.59","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","- C24 H20 Co N6 O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers","CrystEngComm","2024","26","21","2755","2764","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0238","0.0218","","","0.0574","0.0588","","","","","","1.118","","","","has coordinates","292989","2024-07-05","15:37:22",""
"7248546","7.6921","0.0002","7.8232","0.0002","10.9612","0.0003","108.519","0.001","90.398","0.001","114.647","0.001","560.99","0.03","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","- C24 H20 N6 Ni O8 -","1","0.5","","Paul, Anup; Gusmão, Filipe; Mahmoud, Abdallah G.; Hazra, Susanta; Rakočević, Lazar; Šljukić, Biljana; Khan, Rais Ahmad; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.","Catalyzing towards clean energy: tuning the oxygen evolution reaction by amide-functionalized Co(ii) and Ni(ii) pristine coordination polymers","CrystEngComm","2024","26","21","2755","2764","10.1039/D4CE00179F","","","0.71073","MoKα","","0.0289","0.0241","","","0.0614","0.0637","","","","","","1.063","","","","has coordinates","292989","2024-07-05","15:37:22",""
"7248551","8.7312","0.0002","9.7117","0.0002","9.9811","0.0002","116.628","0.002","99.297","0.002","100.912","0.002","713.03","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl 4-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C15 H12 N3 O4 -","- C15 H12 N3 O4 -","- C30 H24 N6 O8 -","2","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0573","0.049","","","0.1337","0.1414","","","","","","1.075","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248552","10.0548","0.0005","7.1932","0.0004","14.2783","0.0008","90","","108.473","0.005","90","","979.48","0.1","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0755","0.0558","","","0.1475","0.1628","","","","","","1.041","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248553","6.5102","0.0002","7.1433","0.0002","9.9181","0.0002","95.079","0.002","90.432","0.002","97.825","0.002","455.06","0.02","119.99","0.1","119.99","0.1","","","","","","","","4","P 1","P 1","1","","Dimethyl aminoterephthalate, 1,2,4,5-tetracyanobenzene","","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","- C20 H13 N5 O4 -","1","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0459","0.0386","","","0.0929","0.0983","","","","","","1.051","","","","has coordinates,has disorder","292942","2024-07-05","15:18:50",""
"7248554","6.7011","0.0002","9.6663","0.0002","11.8016","0.0003","100.928","0.002","98.038","0.002","106.164","0.002","705.72","0.03","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","Dimethyl aminoterephthalate,1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","1","0.5","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.0816","0.0591","","","0.1569","0.1741","","","","","","1.048","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248555","7.6502","0.0003","22.7523","0.0007","18.216","0.0005","90","","101.461","0.003","90","","3107.45","0.18","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","dimethyl 5-aminoisophthalate, 1,2,4,5-tetracyanobenzene","","- C30 H24 N6 O8 -","- C30 H24 N6 O8 -","- C120 H96 N24 O32 -","4","1","","Zhang, Xiaokai; Li, Zhonghua; Han, Rui; Lin, Jiawei; Li, Maolin; Zhou, Jianmin; Wu, Songgu; Gong, Junbo","Modulation of luminescence properties of cocrystals composed of amino substituted dimethyl phthalates and 1,2,4,5-tetracyanobenzene by crystal engineering","CrystEngComm","2024","26","22","2976","2988","10.1039/D4CE00218K","","x-ray","0.71073","MoKα","","0.1184","0.0891","","","0.2337","0.2585","","","","","","1.035","","","","has coordinates","292942","2024-07-05","15:18:50",""
"7248556","15.184","0.0002","6.1146","0.0001","15.368","0.0003","90","","116.952","0.002","90","","1271.86","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl N S2 -","- C12 H14 Cl N S2 -","- C48 H56 Cl4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0234","0.0221","","","0.0565","0.0575","","","","","","1.031","","","","has coordinates,has disorder","292970","2024-07-05","15:32:39",""
"7248557","13.9471","0.0005","11.0713","0.0003","8.2857","0.0003","90","","90","","90","","1279.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 S2 -","- C12 H14 N2 O2 S2 -","- C48 H56 N8 O8 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0393","0.0379","","","0.1098","0.1107","","","","","","1.183","","","","has coordinates","292970","2024-07-05","15:32:49",""
"7248558","12.0797","0.0002","9.725","0.0001","12.7025","0.0002","90","","117.262","0.002","90","","1326.47","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I N S2 -","- C12 H14 I N S2 -","- C48 H56 I4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0216","0.0207","","","0.054","0.0548","","","","","","1.087","","","","has coordinates","292970","2024-07-05","15:32:59",""
"7248559","12.4564","0.0005","5.9662","0.0002","17.6358","0.0005","90","","101.17","0.003","90","","1285.82","0.08","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N S2 -","- C13 H17 N S2 -","- C52 H68 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0453","0.0353","","","0.086","0.0919","","","","","","1.027","","","","has coordinates","292970","2024-07-05","15:33:10",""
"7248560","12.1754","0.0002","9.6431","0.0001","12.347","0.0002","90","","117.889","0.002","90","","1281.28","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N S2 -","- C12 H14 Br N S2 -","- C48 H56 Br4 N4 S8 -","4","1","","Yeo, Chien Ing; Kwong, Huey Chong; Tan, Sang Loon; Tiekink, Edward R. T.","Variable non-covalent interactions in the crystals of a series of 4-Y-benzyl pyrrolidine-1-carbodithioates: Y = Cl, Br, I, Me and NO2","CrystEngComm","2024","26","20","2711","2722","10.1039/D4CE00158C","","","1.54178","CuKα","","0.0174","0.0168","","","0.0438","0.0442","","","","","","1.082","","","","has coordinates","292970","2024-07-05","15:33:11",""
"7248562","12.3978","0.0006","13.197","0.0007","21.5304","0.0011","76.78","0.002","75.297","0.002","62.998","0.002","3009.5","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 N8 O13 Zn2 -","- C64 H62 N8 O13 Zn2 -","- C128 H124 N16 O26 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1015","0.0688","","","0.1566","0.1784","","","","","","1.049","","","","has coordinates","292972","2024-07-05","15:33:32",""
"7248563","13.1661","0.0002","20.0691","0.0004","17.0366","0.0003","90","","104.96","0.001","90","","4349.03","0.13","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H45 Cd2 N6 O10 -","- C46 H45 Cd2 N6 O10 -","- C184 H180 Cd8 N24 O40 -","4","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","1.54178","CuKα","","0.0342","0.0312","","","0.0999","0.1025","","","","","","1.044","","","","has coordinates","292972","2024-07-05","15:33:43",""
"7248564","11.9919","0.0007","16.8356","0.001","17.173","0.0009","64.117","0.003","79.161","0.003","77.41","0.004","3027.2","0.3","295.62","","295.62","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H48 N8 O8 Zn2 -","- C56 H48 N8 O8 Zn2 -","- C112 H96 N16 O16 Zn4 -","2","1","","Teng, Yu-Kang; Wu, Qian; Sun, Yao; Wang, Chen; Zhang, Rui; Lu, Zhen-Zhong","Mixed matrix membranes based on fluorescent coordination polymers for the detection of Cr2O72− in water","CrystEngComm","2024","26","20","2635","2640","10.1039/D4CE00182F","","","0.71073","MoKα","","0.1873","0.0904","","","0.1691","0.1967","","","","","","0.99","","","","has coordinates","292972","2024-07-05","15:33:44",""
"7248565","32.213","0.012","7.738","0.002","19.107","0.006","90","","103.238","0.01","90","","4636","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 F N3 O7 -","- C25 H24 F N3 O7 -","- C200 H192 F8 N24 O56 -","8","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1932","0.1017","","","0.2705","0.3495","","","","","","1.06","","","","has coordinates","292969","2024-07-05","15:32:10",""
"7248566","7.311","0.002","11.567","0.004","13.026","0.004","95.552","0.008","98.49","0.008","92.972","0.008","1081.9","0.6","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 F N3 O8 -","- C21 H27 F N3 O8 -","- C42 H54 F2 N6 O16 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1039","0.0588","","","0.1749","0.2561","","","","","","1.025","","","","has coordinates","292969","2024-07-05","15:32:11",""
"7248567","9.194","0.003","12.72","0.004","14.712","0.005","82.783","0.009","77.177","0.009","76.989","0.009","1629.4","0.9","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","- C69 H70 F2 N6 O23 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.1406","0.0816","","","0.2455","0.3041","","","","","","0.994","","","","has coordinates,has disorder","292969","2024-07-05","15:32:20",""
"7248568","9.2235","0.0008","11.3207","0.001","15.6694","0.0014","89.989","0.002","75.496","0.002","85.944","0.002","1579.8","0.2","295","2","295.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H21 Cl6 F N3 O9 -","- C29 H21 Cl6 F N3 O9 -","- C58 H42 Cl12 F2 N6 O18 -","2","1","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0522","0.0409","","","0.1204","0.1313","","","","","","1.06","","","","has coordinates","292969","2024-07-05","15:32:29",""
"7248569","10.5368","0.0012","13.7042","0.0016","15.0079","0.0017","84.737","0.002","86.232","0.002","69.254","0.002","2016.8","0.4","295","2","295.15","","","","","","","","","5","P -1","-P 1","2","","","","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","- C84 H94 F4 N12 O25 -","1","0.5","","Zhu, Yujun; Liu, Ruoxi; Wang, Leyao; Chen, Chen; Zhao, Yupei; Guo, Wei; Zhang, Zhihui","Ciprofloxacin salts of benzene mono/di-carboxylate: crystal structures and the improvement of solubility","CrystEngComm","2024","26","20","2662","2672","10.1039/D4CE00213J","","","0.71073","MoKα","","0.0869","0.061","","","0.1872","0.2345","","","","","","1.052","","","","has coordinates,has disorder","292969","2024-07-05","15:32:30",""
"7248570","9.0499","0.0008","9.5985","0.001","11.2088","0.0011","64.656","0.01","78.043","0.008","66.903","0.009","808.51","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O6 -","- C20 H14 N2 O6 -","- C40 H28 N4 O12 -","2","1","","Yin, Pei-Pei; Chen, Yu-E; Diao, Jia-Wei; Cheng, Yi-Yang; Yang, Xiao-Gang; Liu, Bao-Zhong; Ma, Lu-Fang","Facile synthesis of a 2,5-dihydroxyterephthalic acid-based charge transfer cocrystal for photoelectric applications","CrystEngComm","2024","26","21","2746","2750","10.1039/D4CE00338A","","x-ray","0.71073","MoKα","","0.0869","0.0594","","","0.1331","0.1503","","","","","","1.058","","","","has coordinates","292988","2024-07-05","15:37:10",""
"7248571","7.456","0.006","8.475","0.008","11.895","0.016","82.16","0.06","76.38","0.05","71.47","0.04","691.1","1.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O5 -","- C15 H16 N2 O5 -","- C30 H32 N4 O10 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals","CrystEngComm","2024","26","22","2871","2882","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0455","0.0393","","","0.1071","0.1113","","","","","","1.067","","","","has coordinates","292944","2024-07-05","15:19:46",""
"7248572","7.0505","0.0006","8.0193","0.0007","13.9507","0.0012","81.526","0.003","88.415","0.003","70.313","0.003","734.35","0.11","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C32 H32 N4 O8 -","2","1","","Nag, Sayak; Emmerling, Franziska; Tothadi, Srinu; Bhattacharya, Biswajit; Ghosh, Soumyajit","Distinct photomechanical responses of two new 1,3-dimethylbarbituric acid derivative crystals","CrystEngComm","2024","26","22","2871","2882","10.1039/D4CE00233D","","","0.71073","MoKα","","0.0726","0.0664","","","0.2091","0.2172","","","","","","1.098","","","","has coordinates","292944","2024-07-05","15:19:46",""
"7248573","6.7599","0.0002","7.3998","0.0002","13.9289","0.0004","90","","112.268","0.002","90","","644.79","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F4 K2 Mn O3 P -","- F4 K2 Mn O3 P -","- F16 K8 Mn4 O12 P4 -","4","1","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","26","21","2796","2802","10.1039/D4CE00180J","","x-ray","1.3405","GaKα","","0.041","0.0398","","","0.1081","0.1093","","","","","","1.088","","","","has coordinates","292986","2024-07-05","15:36:51",""
"7248574","5.6785","0.0003","7.7011","0.0003","6.8171","0.0004","90","","109.673","0.006","90","","280.72","0.03","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- F3 H Mn Na2 O4 P -","- F3 H Mn Na2 O4 P -","- F6 H2 Mn2 Na4 O8 P2 -","2","0.5","","Luo, Qi; Li, Ningxia; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen","Synthesis and magnetic properties of two fluorophosphates K2Mn(PO3F)F3 and Na2Mn(HPO4)F3 with a S = 2 uniform spin chain structure","CrystEngComm","2024","26","21","2796","2802","10.1039/D4CE00180J","","x-ray","0.71073","MoKα","","0.0273","0.025","","","0.058","0.0593","","","","","","1.121","","","","has coordinates","292986","2024-07-05","15:36:51",""
"7248579","10.0955","0.0004","40.9697","0.0015","11.4889","0.0004","90","","98.139","0.001","90","","4704.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H63 Cd N5 O5 -","- C50 H63 Cd N5 O5 -","- C200 H252 Cd4 N20 O20 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0339","0.031","","","0.0673","0.0684","","","","","","1.052","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248580","12.445","0.0012","15.1029","0.0014","15.5578","0.0015","94.759","0.003","113.19","0.003","103.711","0.003","2559.9","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H70 Cd N6 O6 -","- C53 H70 Cd N6 O6 -","- C106 H140 Cd2 N12 O12 -","2","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.066","0.0448","","","0.0911","0.099","","","","","","1.053","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248581","16.372","0.008","10.139","0.003","22.227","0.004","90","","101.261","0.015","90","","3619","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Cd N3 O5 -","- C37 H49 Cd N3 O5 -","- C148 H196 Cd4 N12 O20 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0833","0.0456","","","0.0922","0.107","","","","","","1.016","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248582","10.7318","0.0012","14.111","0.0016","14.3004","0.0017","64.885","0.002","72.876","0.008","75.908","0.005","1856.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","- C80 H110 Cd N12 O8 -","1","0.5","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.0483","0.0437","","","0.1139","0.117","","","","","","1.033","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248583","10.0555","0.0007","13.6937","0.001","17.1536","0.0012","92.456","0.002","106.837","0.002","106.896","0.002","2142.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H53 Cd N4 O5 -","- C42 H53 Cd N4 O5 -","- C84 H106 Cd2 N8 O10 -","2","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.71073","MoKα","","0.0655","0.0482","","","0.1036","0.1108","","","","","","1.017","","","","has coordinates","292982","2024-07-05","15:35:57",""
"7248584","10.664","0.003","42.973","0.005","9.228","0.002","90","","97.349","0.015","90","","4194.1","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H58 Cd N4 O6 -","- C42 H58 Cd N4 O6 -","- C168 H232 Cd4 N16 O24 -","4","1","","Trofimova, Olesya Yu.; Meshcheryakova, Irina N.; Druzhkov, Nikolai O.; Ershova, Irina V.; Maleeva, Arina V.; Cherkasov, Anton V.; Yakushev, Ilya A.; Dorovatovskii, Pavel V.; Aysin, Rinat R.; Piskunov, Alexandr V.","Structural diversity of cadmium coordination polymers based on an extended anilate-type ligand","CrystEngComm","2024","26","23","3077","3087","10.1039/D4CE00272E","","","0.79313","synchrotron","","0.113","0.0808","","","0.1807","0.1977","","","","","","1.045","","","","has coordinates,has disorder","292982","2024-07-05","15:35:57",""
"7248585","14.3702","0.0008","13.3514","0.0008","24.3154","0.0014","90","","94.535","0.002","90","","4650.6","0.5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H34 N8 O21 Zn3 -","- C48 H34 N8 O21 Zn3 -","- C192 H136 N32 O84 Zn12 -","4","0.5","","Chen, Qiang; Zhao, Chenzhu; Li, Xusheng; Liu, Hua; Chen, Jiao; Li, Quanquan; Liu, Ping; Wang, Yaoyu","Accelerating interfacial charge transfer and photocatalytic activity of a Z-scheme Zn-MOF/GO heterojunction towards the removal of Cr(vi) and methylene blue","CrystEngComm","2024","26","23","3054","3061","10.1039/D4CE00324A","","","1.34138","GaKα","","0.0355","0.03","","","0.0757","0.0788","","","","","","1.039","","","","has coordinates","292981","2024-07-05","15:35:41",""
"7248586","22.635","0.004","18.2458","0.0018","8.4549","0.0012","90","","90","","90","","3491.8","0.9","293","2","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 N2 O2 S -","- C8 H8 N2 O2 S -","- C128 H128 N32 O32 S16 -","16","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0998","0.1035","","","","","","1.1032","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248587","17.3234","0.0014","6.5197","0.0005","8.7737","0.0007","90","","90","","90","","990.93","0.14","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","1-(5-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0535","0.0445","","","0.0853","0.0897","","","","","","1.0658","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248588","10.4402","0.0013","9.0667","0.0012","10.6841","0.0015","90","","103.828","0.012","90","","982","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(4-methylthiazol-2-yl)piperidine-2,6-dione","","- C9 H10 N2 O2 S -","- C9 H10 N2 O2 S -","- C36 H40 N8 O8 S4 -","4","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0523","0.0402","","","0.1016","0.1105","","","","","","1.053","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248589","11.0048","0.0007","9.1927","0.0007","21.2407","0.0014","90","","90","","90","","2148.8","0.3","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(4,5-dimethylthiazol-2-yl)piperidine-2,6-dione","","- C10 H12 N2 O2 S -","- C10 H12 N2 O2 S -","- C80 H96 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0892","0.0588","","","0.1608","0.1864","","","","","","1.049","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248590","10.7717","0.0009","9.2453","0.0009","23.0901","0.0014","90","","90","","90","","2299.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","1-(benzo[d]thiazol-2-yl)piperidine-2,6-dione","","- C12 H10 N2 O2 S -","- C12 H10 N2 O2 S -","- C96 H80 N16 O16 S8 -","8","1","","Shaiwale, Mayuri; Som, Narayan N.; Jha, Prafulla K.; Ballabh, Amar","A simple and efficient synthesis of a series of N-(thiazol-2-yl)piperidine-2,6-dione compounds and their interesting NLO properties","CrystEngComm","2024","26","23","3069","3076","10.1039/D4CE00217B","","x-ray","0.71073","MoKα","","0.0853","0.0675","","","0.2051","0.2256","","","","","","0.905","","","","has coordinates","292983","2024-07-05","15:36:12",""
"7248597","14.5312","0.0006","13.8795","0.0005","15.1632","0.0006","90","","90","","90","","3058.2","0.2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H20 I3 N -","- C8 H20 I3 N -","- C64 H160 I24 N8 -","8","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","26","20","2723","2736","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0446","0.0257","","","0.051","0.061","","","","","","1.051","","","","has coordinates,has disorder","292971","2024-07-05","15:33:21",""
"7248598","16.9466","0.0012","6.0287","0.0004","13.6214","0.0011","90","","97.621","0.004","90","","1379.35","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C7 H12 I3 N2 O0.5 -","- C7 H12 I3 N2 O0.5 -","- C28 H48 I12 N8 O2 -","4","1","","Hamdouni, Monia; Hrizi, Chakib; Esghaier, Mohsen Ouled Mohamed; Knorr, Michael; Strohmann, Carsten; Chaabouni, Slaheddine","Molecular self-assembly of 1D linear and 2D T-shape polyiodide arrangements in two organic ammonium triiodide salts: supramolecular structures and density functional theory-based optical properties","CrystEngComm","2024","26","20","2723","2736","10.1039/D4CE00079J","","","0.71073","MoKα","","0.0732","0.0405","","","0.0861","0.1157","","","","","","1.197","","","","has coordinates","292971","2024-07-05","15:33:21",""
"7248599","8.6015","0.0017","11.121","0.002","13.895","0.003","90","","90.292","0.007","90","","1329.1","0.5","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H30 Cd N5 O12 P -","- C21 H30 Cd N5 O12 P -","- C42 H60 Cd2 N10 O24 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0775","0.0493","","","0.0785","0.0872","","","","","","1.012","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248600","13.813","0.005","14.472","0.006","20.721","0.007","90","","90","","90","","4142","3","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H44 Cd N8 O21 P2 -","- C30 H44 Cd N8 O21 P2 -","- C120 H176 Cd4 N32 O84 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0618","0.0525","","","0.127","0.1332","","","","","","1.06","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248601","9.3779","0.0013","12.2117","0.0018","13.625","0.0019","90","","106.071","0.004","90","","1499.4","0.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H34 Cd N7 O15 P -","- C19 H34 Cd N7 O15 P -","- C38 H68 Cd2 N14 O30 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.033","0.0281","","","0.0632","0.0655","","","","","","1.014","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248602","8.31","0.005","11.901","0.007","14.109","0.008","90","","92.58","0.02","90","","1393.9","1.4","296.15","","296.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H32 Cd N5 O13 P -","- C21 H32 Cd N5 O13 P -","- C42 H64 Cd2 N10 O26 P2 -","2","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.0194","0.0183","","","0.0437","0.0443","","","","","","1.04","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248603","13.5898","0.0015","14.6787","0.0017","21.008","0.002","90","","90","","90","","4190.7","0.8","296.15","","296.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Cd N10 O20 P2 -","- C28 H43 Cd N10 O20 P2 -","- C112 H172 Cd4 N40 O80 P8 -","4","1","","Khan, Yaqoot; Ismail, Ismail; Ma, Hongwei; Li, Zhongkui; Li, Hui","Sugar–nucleobase hydrogen bonding in cytidine 5′-monophosphate nucleotide-cadmium coordination complexes","CrystEngComm","2024","26","21","2775","2783","10.1039/D4CE00150H","","","0.71073","MoKα","","0.059","0.0435","","","0.095","0.1006","","","","","","1.026","","","","has coordinates","292987","2024-07-05","15:37:04",""
"7248604","34.707","0.002","11.0408","0.0007","21.7951","0.0016","90","","102.202","0.001","90","","8163.1","0.9","296.15","","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Cd1.5 Cl N8 O8 -","- C40 H34 Cd1.5 Cl N8 O8 -","- C320 H272 Cd12 Cl8 N64 O64 -","8","1","","Wu, Yu; Li, Junlan; Xu, Jing; Muddassir, Mohd.; Kushwaha, Aparna; Daniel, Omoding; Kumar, Abhinav; Zou, Like","4,4′-Bis(imidazolyl)biphenyl-appended Cd(ii) coordination polymer: a dual-functional material for antibiotic sensing and photodegradation","CrystEngComm","2024","26","23","3113","3122","10.1039/D4CE00294F","","","0.71073","MoKα","","0.1231","0.0648","","","0.1755","0.221","","","","","","1.028","","","","has coordinates,has disorder","292980","2024-07-05","15:35:34",""
"7248608","7.386","0.0015","15.868","0.003","19.198","0.004","103.38","0.03","95.61","0.03","99.79","0.03","2134.9","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H34 N3 O24 P3 Zn4 -","- C42 H34 N3 O24 P3 Zn4 -","- C84 H68 N6 O48 P6 Zn8 -","2","1","","Chen, Xi; Chen, Zi-tong; Xu, Shi-xian; Chen, Yuan; Tong, Jia-ping; Li, Bao","A self-assembled metal–organic framework for enhanced UO22+ fluorescence sensing: integration of an octa-nuclear zinc cluster with hexakis(4-carboxyphenoxy)cyclotriphosphazene","CrystEngComm","2024","26","25","3341","3348","10.1039/D4CE00401A","","","0.71073","MoKα","","0.0838","0.0777","","","0.219","0.2251","","","","","","1.047","","","","has coordinates","292967","2024-07-05","15:29:55",""
"7248609","8.1484","0.0002","8.1484","0.0002","26.8449","0.0011","90","","90","","90","","1782.41","0.1","172.8","0.2","172.8","0.2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C5 H13 Cl N2 O4 -","- C5 H13 Cl N2 O4 -","- C40 H104 Cl8 N16 O32 -","8","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0457","0.0407","","","0.1015","0.105","","","","","","1.043","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7248610","13.9407","0.0007","7.4715","0.0004","18.8287","0.0009","90","","106.62","0.005","90","","1879.23","0.17","172.98","0.1","172.98","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C54 H90 Cl6 N24 O24 -","6","3","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.0761","0.0547","","","0.1406","0.1542","","","","","","0.92","","","","has coordinates","292941","2024-07-05","15:18:40",""
"7248611","8.8528","0.0006","7.5471","0.0007","9.7043","0.0008","90","","97.654","0.007","90","","642.6","0.09","297.99","0.1","297.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H15 Cl N4 O4 -","- C9 H15 Cl N4 O4 -","- C18 H30 Cl2 N8 O8 -","2","1","","Yang, Shu-Jing; Bai, Yong-Ju; Qi, Jun-Chao; Huang, Xiao-Yun; Shen, Xin; Lu, Yan-Zi; Xia, Zhang-Tian; Lv, Hui-Peng; Liao, Wei-Qiang","A homochiral polar molecular piezoelectric material with phase transition and high piezoelectricity precisely designed by cyanomethyl group substitution","CrystEngComm","2024","26","22","2883","2890","10.1039/D4CE00023D","","x-ray","0.71073","MoKα","","0.1077","0.0754","","","0.2139","0.2412","","","","","","1.051","","","","has coordinates,has disorder","292941","2024-07-05","15:18:40",""
"7248612","31.366","0.002","10.0042","0.0007","22.8146","0.0017","90","","96.959","0.008","90","","7106.3","0.9","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Br Cu S2 -","- C16 H26 Br Cu S2 -","- C256 H416 Br16 Cu16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","","0.71073","MoKα","","0.0483","0.0301","","","0.0636","0.0653","","","","","","0.89","","","","has coordinates","292943","2024-07-05","15:19:34",""
"7248613","8.7545","0.0014","10.0042","0.0015","11.2498","0.0015","64.22","0.006","70.764","0.006","82.779","0.007","837.5","0.2","115","0.1","115","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Cl2 Cu S2 -","- C12 H22 Cl2 Cu S2 -","- C24 H44 Cl4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0338","0.0256","","","0.0638","0.0673","","","","","","1.063","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248614","8.7637","0.0014","15.977","0.002","11.262","0.002","90","","97.425","0.005","90","","1563.7","0.4","115","2","115","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 Br2 Cu2 S4 -","- C24 H44 Br2 Cu2 S4 -","- C48 H88 Br4 Cu4 S8 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0964","0.0538","","","0.0609","0.0694","","","","","","0.974","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248615","12.0784","0.0005","9.6471","0.0004","13.6377","0.0005","90","","107.326","0.0012","90","","1516.98","0.11","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cl Cu S2 -","- C12 H22 Cl Cu S2 -","- C48 H88 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.029","0.0208","","","0.0441","0.047","","","","","","1.077","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248616","11.3631","0.0005","9.2959","0.0004","17.5929","0.0007","90","","107.327","0.0013","90","","1774.01","0.13","115","0.1","115","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl Cu S2 -","- C16 H26 Cl Cu S2 -","- C64 H104 Cl4 Cu4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0265","0.0196","","","0.0445","0.0472","","","","","","1.046","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248617","9.9428","0.0008","18.9973","0.0017","19.2437","0.0015","90","","90","","90","","3634.9","0.5","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H44 Cu4 I4 S4 -","- C24 H44 Cu4 I4 S4 -","- C96 H176 Cu16 I16 S16 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0314","0.0296","","","0.072","0.0732","","","","","","1.064","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248618","11.4251","0.0003","16.2605","0.0004","8.8793","0.0002","90","","99.638","0.001","90","","1626.29","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 Cu I S2 -","- C12 H22 Cu I S2 -","- C48 H88 Cu4 I4 S8 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.019","0.0176","","","0.043","0.0438","","","","","","1.079","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248619","8.1661","0.0004","10.2416","0.0005","15.1301","0.0006","90","","98.034","0.002","90","","1252.97","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Br2 Cu N S -","- C8 H14 Br2 Cu N S -","- C32 H56 Br8 Cu4 N4 S4 -","4","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0308","0.0258","","","0.0554","0.0576","","","","","","1.062","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248620","31.853","0.002","10.1612","0.0006","22.91","0.0014","90","","96.804","0.002","90","","7362.9","0.8","140","0.1","140","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0165","0.0162","","","0.039","0.0391","","","","","","1.147","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248621","11.9606","0.0016","19.095","0.003","21.026","0.003","96.658","0.004","105.219","0.004","105.342","0.004","4379","1.1","300","0.1","300","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0825","0.0573","","","0.1493","0.1673","","","","","","1.04","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248622","11.8961","0.0004","18.938","0.0007","20.9008","0.0007","97.0884","0.0014","104.746","0.0013","104.317","0.0013","4324.1","0.3","250","0.1","250","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0557","0.0397","","","0.0899","0.1021","","","","","","1.067","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248623","11.8439","0.0004","18.8172","0.0005","20.8187","0.0006","97.3254","0.001","104.554","0.001","103.639","0.001","4277.4","0.2","200","0.1","200","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0376","0.0309","","","0.067","0.0725","","","","","","1.08","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248624","31.9681","0.0008","10.2932","0.0002","23.199","0.0007","90","","97.095","0.001","90","","7575.3","0.3","300","0.1","300","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0254","0.0198","","","0.0511","0.0527","","","","","","1.041","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248625","31.903","0.002","10.2246","0.0007","23.0547","0.0015","90","","96.911","0.002","90","","7465.7","0.8","220","0.1","220","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0171","0.0165","","","0.0411","0.0414","","","","","","1.163","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248626","31.932","0.002","10.2558","0.0007","23.1217","0.0016","90","","96.952","0.003","90","","7516.4","0.9","260","0.1","260","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0189","0.0177","","","0.0432","0.0438","","","","","","1.124","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248627","11.7692","0.0004","18.6908","0.0005","20.6753","0.0006","97.209","0.001","104.899","0.001","103.037","0.001","4199.8","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0335","0.0288","","","0.0571","0.0601","","","","","","1.025","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248628","31.8836","0.0012","10.19","0.0004","22.9758","0.0009","90","","96.839","0.001","90","","7411.6","0.5","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0169","0.0165","","","0.0401","0.0403","","","","","","1.157","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248629","9.1382","0.0011","9.9911","0.0008","11.27","0.001","65.156","0.004","70.131","0.004","84.401","0.005","876.92","0.15","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H22 Br2 Cu S2 -","- C12 H22 Br2 Cu S2 -","- C24 H44 Br4 Cu2 S4 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0216","0.0197","","","0.047","0.0479","","","","","","1.048","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248630","31.839","0.002","10.1369","0.0007","22.8562","0.0015","90","","96.789","0.002","90","","7325.1","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Cu I S2 -","- C16 H26 Cu I S2 -","- C256 H416 Cu16 I16 S32 -","16","2","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0163","0.0161","","","0.0388","0.0389","","","","","","1.169","","","","has coordinates","292943","2024-07-05","15:19:35",""
"7248631","11.7999","0.0004","18.7275","0.0005","20.7647","0.0006","97.4108","0.001","104.635","0.001","103.105","0.001","4238.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H104 Cu8 I8 S8 -","- C64 H104 Cu8 I8 S8 -","- C128 H208 Cu16 I16 S16 -","2","1","","Knorr, Michael; Viau, Lydie; Knauer, Lena; Strohmann, Carsten; Rousselin, Yoann; Kubicki, Marek M.","Polymeric CuX coordination compounds assembled from acetylenic thioether ligands RSCH2CCCH2R (R = C6H11, t-Bu): effect of the RS-group, halide and stoichiometry on the network architecture and the luminescence properties","CrystEngComm","2024","26","22","2953","2975","10.1039/D4CE00173G","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0334","0.0289","","","0.0568","0.0604","","","","","","1.086","","","","has coordinates,has disorder","292943","2024-07-05","15:19:35",""
"7248632","3.68025","0.00019","9.5291","0.0006","13.5746","0.0007","83.751","0.005","87.678","0.004","81.873","0.005","468.32","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 N2 O2 S -","- C3 H2 N2 O2 S -","- C12 H8 N8 O8 S4 -","4","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0459","0.0455","","","0.1346","0.1351","","","","","","1.094","","","","has coordinates","292945","2024-07-05","15:20:12",""
"7248633","3.70347","0.00015","6.3835","0.0003","29.2533","0.0011","90","","92.866","0.004","90","","690.72","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C28 H16 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","0.71073","MoKα","","0.0508","0.0404","","","0.0766","0.0806","","","","","","1.089","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248634","3.922","0.0001","17.4283","0.0004","11.878","0.0003","90","","91.753","0.002","90","","811.53","0.03","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C32 H24 N8 O8 S4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0363","0.0317","","","0.084","0.0887","","","","","","1.051","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248635","20.3375","0.0006","3.81288","0.0001","22.5207","0.0007","90","","109.866","0.003","90","","1642.43","0.09","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N2 O2 S -","- C8 H6 N2 O2 S -","- C64 H48 N16 O16 S8 -","8","2","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0446","0.0388","","","0.1018","0.1068","","","","","","1.042","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248636","6.9301","0.0004","7.3617","0.0004","8.2491","0.0004","91.5","0.005","107.919","0.005","115.929","0.006","353.72","0.04","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H4 N2 O2 S -","- C7 H4 N2 O2 S -","- C14 H8 N4 O4 S2 -","2","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0369","0.0347","","","0.0951","0.0965","","","","","","1.062","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248637","10.02071","0.00014","3.83488","0.00005","21.0716","0.0003","90","","95.3939","0.0013","90","","806.159","0.019","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0232","0.0225","","","0.0585","0.0592","","","","","","1.078","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248638","12.8823","0.0006","3.76622","0.00018","15.6812","0.0008","90","","112.529","0.006","90","","702.75","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","0.71073","MoKα","","0.051","0.0376","","","0.0768","0.0832","","","","","","1.051","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248639","3.97381","0.0001","6.41163","0.00017","33.4053","0.0007","90","","92.357","0.002","90","","850.4","0.04","130","","130","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 N2 O2 Se -","- C8 H6 N2 O2 Se -","- C32 H24 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","x-ray","1.54184","CuKα","","0.0486","0.0476","","","0.1122","0.1142","","","","","","1.211","","","","has coordinates","292945","2024-07-05","15:20:13",""
"7248640","8.0711","0.0003","7.5844","0.0002","12.2026","0.0004","90","","105.733","0.003","90","","718.99","0.04","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 N2 O2 Se -","- C7 H4 N2 O2 Se -","- C28 H16 N8 O8 Se4 -","4","1","","Alfuth, Jan; Czapik, Agnieszka; Zadykowicz, Beata; Olszewska, Teresa","Hydrogen and chalcogen bonds in crystals of chalcogenadiazolecarboxylic acids – competition or cooperation?","CrystEngComm","2024","26","22","2918","2927","10.1039/D4CE00273C","","","1.54184","CuKα","","0.0421","0.041","","","0.1097","0.1106","","","","","","1.196","","","","has coordinates","292945","2024-07-05","15:20:14",""
"7248648","10.3627","0.0006","18.5962","0.0011","16.5939","0.001","90","","106.222","0.002","90","","3070.4","0.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cu2 N8 O42 S2 W10 -","- C28 H42 Cu2 N8 O42 S2 W10 -","- C56 H84 Cu4 N16 O84 S4 W20 -","2","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0499","0.0379","","","0.0797","0.0855","","","","","","1.044","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248649","10.8085","0.0004","16.8447","0.0006","18.0408","0.0007","90","","106.909","0.002","90","","3142.6","0.2","284","2","284","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cu2 N8 O38 S4 W10 -","- C32 H40 Cu2 N8 O38 S4 W10 -","- C64 H80 Cu4 N16 O76 S8 W20 -","2","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0422","0.0362","","","0.0858","0.089","","","","","","1.1","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248650","16.7303","0.0008","17.5503","0.0008","18.9281","0.0009","90","","90","","90","","5557.7","0.5","226","2","226","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H33 Cu2 N8 O32.5 W10 -","- C40 H33 Cu2 N8 O32.5 W10 -","- C160 H132 Cu8 N32 O130 W40 -","4","0.5","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","1.34138","GaKα","","0.0373","0.0297","","","0.0673","0.0704","","","","","","1.079","","","","has coordinates","292966","2024-07-05","15:29:48",""
"7248651","15.4754","0.0004","20.748","0.0006","22.0378","0.0005","90","","90.783","0.001","90","","7075.3","0.3","304","2","304","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Cu N7 O34 S W10 -","- C48 H66 Cu N7 O34 S W10 -","- C192 H264 Cu4 N28 O136 S4 W40 -","4","1","","Wang, Meiying; Jia, Chunbo; Hui, Hehua; Xu, Qianxiang; Li, Xiang; Ren, Yuanhang; Yue, Bin; He, Heyong","Engineering the heterogeneous photocatalytic activity of crystalline decatungstate-based coordination polymers","CrystEngComm","2024","26","25","3303","3310","10.1039/D4CE00391H","","","0.71073","MoKα","","0.0506","0.0394","","","0.0865","0.0916","","","","","","1.067","","","","has coordinates,has disorder","292966","2024-07-05","15:29:48",""
"7248652","5.4941","0.0002","9.8998","0.0003","12.7267","0.0005","82.824","0.003","80.97","0.003","75.189","0.003","658.31","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Ag F5 O3 -","- C11 H10 Ag F5 O3 -","- C22 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0472","0.0452","","","0.1292","0.1311","","","","","","1.072","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248653","14.4142","0.0001","23.8477","0.0001","15.1372","0.0001","90","","93.326","0.001","90","","5194.58","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H36 Ag4 F20 O17 -","- C46 H36 Ag4 F20 O17 -","- C184 H144 Ag16 F80 O68 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0219","0.0197","","","0.0524","0.0535","","","","","","1.077","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248654","5.59808","0.00005","10.23969","0.0001","12.79989","0.0001","97.6393","0.0007","96.3916","0.0007","102.328","0.0007","703.009","0.011","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Ag F5 O3 -","- C12 H12 Ag F5 O3 -","- C24 H24 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0138","0.0135","","","0.0327","0.0328","","","","","","1.055","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248655","17.79831","0.00019","5.58069","0.00005","25.9618","0.0002","90","","104.576","0.001","90","","2495.71","0.04","120.01","0.1","120.01","0.1","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H14 Ag2 F10 O5 -","- C24.001 H14.0025 Ag2 F10 O5 -","- C96.004 H56.01 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0237","0.0216","","","0.0514","0.0525","","","","","","1.024","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248656","5.695","0.0001","17.0008","0.0003","14.7939","0.0003","90","","97.036","0.002","90","","1421.55","0.05","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 Ag F5 O2 -","- C15 H10 Ag F5 O2 -","- C60 H40 Ag4 F20 O8 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.026","0.0232","","","0.0579","0.0592","","","","","","1.052","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248657","5.5552","0.0002","16.061","0.0007","20.9338","0.0006","74.645","0.003","89.103","0.003","80.35","0.003","1774.79","0.12","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H6 Ag4 F20 O10 -","- C31 H6 Ag4 F20 O10 -","- C62 H12 Ag8 F40 O20 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0905","0.0465","","","0.0809","0.0924","","","","","","1.011","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248658","5.69188","0.00013","12.5817","0.0003","17.9282","0.0006","105.107","0.003","90.214","0.002","90.163","0.002","1239.51","0.06","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H12 Ag2 F10 O4 -","- C26 H12 Ag2 F10 O4 -","- C52 H24 Ag4 F20 O8 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0532","0.044","","","0.1057","0.1091","","","","","","1.148","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248659","13.9355","0.0002","5.5125","0.0001","22.5133","0.0002","90","","93.604","0.001","90","","1726.04","0.04","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Ag F5 O3 -","- C17 H16 Ag F5 O3 -","- C68 H64 Ag4 F20 O12 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0317","0.0266","","","0.0585","0.0602","","","","","","1.046","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248660","7.2534","0.0003","11.0121","0.0005","13.8225","0.0006","85.841","0.004","85.713","0.003","84.263","0.003","1093.11","0.08","120","0.11","120","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","- C50 H40 Ag2 F10 O8 -","1","0.5","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0445","0.0355","","","0.0756","0.0793","","","","","","1.049","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248661","5.5278","0.0001","8.6031","0.0001","13.1699","0.0002","103.225","0.001","94.823","0.002","100.843","0.002","593.499","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Ag F5 O3 -","- C11 H8 Ag F5 O3 -","- C22 H16 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0167","0.0163","","","0.0421","0.0422","","","","","","1.116","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248662","12.4062","0.0003","13.45738","0.00019","13.9666","0.0003","85.3721","0.0016","70.664","0.002","86.9586","0.0016","2192.23","0.08","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 Ag3 F15 O8 -","- C41 H36 Ag3 F15 O8 -","- C82 H72 Ag6 F30 O16 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0319","0.0306","","","0.0793","0.0802","","","","","","1.028","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248663","5.6097","0.0001","55.4509","0.0015","13.6451","0.0004","90","","97.194","0.002","90","","4211.07","0.18","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H16 Ag4 F20 O8 -","- C42 H16 Ag4 F20 O8 -","- C168 H64 Ag16 F80 O32 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0662","0.0528","","","0.1267","0.1333","","","","","","1.047","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248664","5.51822","0.00013","9.8945","0.0005","13.0489","0.0003","75.275","0.003","85.88","0.002","79.845","0.003","678","0.04","120","2","120","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Ag F5 O3 -","- C12 H10 Ag F5 O3 -","- C24 H20 Ag2 F10 O6 -","2","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0413","0.0373","","","0.1027","0.1058","","","","","","1.093","","","","has coordinates,has disorder","292979","2024-07-05","15:35:20",""
"7248665","6.9141","0.0003","5.561","0.0002","37.1068","0.0011","90","","93.837","0.003","90","","1423.53","0.09","120","2","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 Ag2 F5 O4 -","- C14 H5 Ag2 F5 O4 -","- C56 H20 Ag8 F20 O16 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.06","0.047","","","0.1143","0.1201","","","","","","1.04","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248666","14.608","0.0004","9.2325","0.0002","18.5937","0.0004","90","","103.76","0.002","90","","2435.73","0.1","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H10 Ag2 F10 O5 -","- C26 H10 Ag2 F10 O5 -","- C104 H40 Ag8 F40 O20 -","4","1","","Ward, Jas S.","The atypical solubility of silver(i) pentafluorobenzoate and its use as a catch-and-release agent","CrystEngComm","2024","26","23","3088","3097","10.1039/D4CE00441H","","x-ray","1.54184","CuKα","","0.0444","0.0332","","","0.075","0.0792","","","","","","1.023","","","","has coordinates","292979","2024-07-05","15:35:20",""
"7248675","9.4328","0.0002","9.8482","0.0003","18.3159","0.0007","90.907","0.003","94.232","0.002","90.018","0.002","1696.62","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H38 Cl4 N4 O7 -","- C31 H38 Cl4 N4 O7 -","- C62 H76 Cl8 N8 O14 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0807","0.0437","","","0.0981","0.1116","","","","","","1.041","","","","has coordinates","292940","2024-07-05","15:18:26",""
"7248676","9.6753","0.0003","9.9173","0.0003","19.001","0.0005","88.365","0.002","79.728","0.003","88.551","0.003","1792.87","0.09","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33 H40 Cl4 N4 O6 -","- C33 H40 Cl4 N4 O6 -","- C66 H80 Cl8 N8 O12 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0629","0.0438","","","0.1159","0.1265","","","","","","1.035","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248677","9.488","0.0003","9.7666","0.0003","18.9486","0.0007","88.206","0.003","78.488","0.003","88.798","0.003","1719.52","0.1","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C34 H40 Cl4 N4 O5 -","- C34 H40 Cl4 N4 O5 -","- C68 H80 Cl8 N8 O10 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","x-ray","1.54184","CuKα","","0.0916","0.077","","","0.2267","0.2583","","","","","","1.083","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248678","9.6066","0.0005","43.035","0.002","9.7812","0.0005","90","","90","","90","","4043.7","0.3","294","1","294","1","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C35 H44 Cl4 N4 O6 S2 -","- C35 H44 Cl4 N4 O6 S2 -","- C140 H176 Cl16 N16 O24 S8 -","4","0.5","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.1096","0.0665","","","0.1711","0.191","","","","","","1.045","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248679","9.4529","0.0004","10.1381","0.0002","19.0267","0.0006","84.791","0.002","89.345","0.003","88.234","0.002","1814.95","0.1","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C33.01 H42.01 Cl4 N4 O7 -","- C33.004 H42.012 Cl4 N4 O7.002 -","- C66.008 H84.024 Cl8 N8 O14.004 -","2","1","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","x-ray","0.71073","MoKα","","0.1","0.0615","","","0.1762","0.2059","","","","","","1.042","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248680","9.3574","0.0001","36.5523","0.0005","10.2282","0.0002","90","","90.134","0.001","90","","3498.39","0.09","295","1","295","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H40 Cl4 N4 O8 -","- C31 H40 Cl4 N4 O8 -","- C124 H160 Cl16 N16 O32 -","4","2","","Breckell, Jaxon R.; Conte, Luke; Potts, Michael W.; Sawant, Pradnya S.; Butcher, Raymond J.; Vernekar, Beena K.; Richardson, Christopher","New diclofenac salts with the dense hydrogen bond donor propane-1,3-diaminium","CrystEngComm","2024","26","24","3206","3216","10.1039/D4CE00397G","","","0.71073","MoKα","","0.0474","0.0336","","","0.0756","0.081","","","","","","1.029","","","","has coordinates,has disorder","292940","2024-07-05","15:18:26",""
"7248686","25.679","0.007","11.127","0.003","12.959","0.004","90","","96.868","0.003","90","","3676.2","1.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 Na O10 Re -","- C12 H24 Na O10 Re -","- C96 H192 Na8 O80 Re8 -","8","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0473","0.039","","","0.1031","0.1087","","","","","","1.083","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248687","9.1","0.003","9.1","0.003","17.743","0.006","90","","90","","90","","1469.3","0.8","296","2","296.15","","","","","","","","","5","P 42/m","-P 4c","84","","","","- C20 H44 N O14 Re -","- C20 H44 N O14 Re -","- C40 H88 N2 O28 Re2 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.1333","0.0838","","","0.2257","0.2607","","","","","","1.086","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248688","8.3113","0.0002","15.5506","0.0004","14.6792","0.0004","90","","90","","90","","1897.22","0.08","108","2","108.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0451","0.0437","","","0.122","0.1226","","","","","","1.312","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248689","8.382","0.005","15.736","0.008","14.815","0.008","90","","90","","90","","1954.1","1.9","296","2","296.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C24 H48 K2 O20 Re2 -","- C24 H48 K2 O20 Re2 -","- C48 H96 K4 O40 Re4 -","2","0.25","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.0536","0.0501","","","0.13","0.1314","","","","","","1.298","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248690","8.7695","0.0003","8.9474","0.0003","17.6798","0.0005","83.446","0.001","88.652","0.001","87.634","0.001","1376.74","0.08","108","2","108.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 N O14 Re -","- C20 H48 N O14 Re -","- C40 H96 N2 O28 Re2 -","2","1","","Yuan, Guo-Jun; Pan, Xue-Wei; Gao, Yan; Jiang, You-Fang; Li, Li; Ren, Xiao-Ming","Comprehensively understanding the distinct properties of crystal structure, phase transition and dielectrics in [M(crown)n]ReO4 (M+ = Na+, K+, NH4+; crown = 15-crown-5, 18-crown-6; n = 1 or 2)","CrystEngComm","2024","26","27","3704","3713","10.1039/D4CE00435C","","","0.71073","MoKα","","0.064","0.0485","","","0.1016","0.1084","","","","","","1.027","","","","has coordinates,has disorder","293794","2024-08-05","18:26:55",""
"7248691","12.7794","0.0018","8.1003","0.0012","19.956","0.003","90","","90","","90","","2065.8","0.5","140","","140","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C20 H24 Br2 N2 O -","- C20 H23.5 Br2 N2 O -","- C80 H94 Br8 N8 O4 -","4","0.5","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.061","0.0357","","","0.0806","0.0846","","","","","","1.04","","","","has coordinates,has disorder","292952","2024-07-05","15:22:48",""
"7248692","6.8222","0.0005","11.0457","0.0008","12.1817","0.0009","90","","94.692","0.002","90","","914.89","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 -","- C18 H18 I2 N2 -","- C36 H36 I4 N4 -","2","0.5","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0299","0.0274","","","0.0689","0.0699","","","","","","1.115","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248693","16.9076","0.0007","15.1942","0.0007","13.5491","0.0006","90","","125.455","0.001","90","","2835.3","0.2","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi I7 N4 O3 S3 -","- C42 H54 Bi I7 N4 O3 S3 -","- C84 H108 Bi2 I14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0261","0.0215","","","0.0466","0.0484","","","","","","0.971","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248694","16.5194","0.0009","14.5925","0.0009","13.2748","0.0007","90","","125.29","0.001","90","","2612","0.3","100","2","100","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C42 H54 Bi Br7 N4 O3 S3 -","- C42 H54 Bi Br7 N4 O3 S3 -","- C84 H108 Bi2 Br14 N8 O6 S6 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0315","0.0259","","","0.0579","0.0601","","","","","","0.993","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248695","10.4022","0.0005","12.5641","0.0007","19.9063","0.001","94.466","0.002","103.253","0.001","112.57","0.001","2298.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi2 I9 N4 O -","- C30 H34 Bi2 I9 N4 O -","- C60 H68 Bi4 I18 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0293","0.0258","","","0.0576","0.0588","","","","","","1.089","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248696","11.442","0.003","13.461","0.003","12.46","0.003","90","","107.555","0.007","90","","1829.7","0.8","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi Br4 N O S -","- C11 H15 Bi Br4 N O S -","- C44 H60 Bi4 Br16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0394","0.0323","","","0.0752","0.0785","","","","","","1.034","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248697","11.7459","0.0014","14.2042","0.0019","12.5884","0.0015","90","","106.018","0.004","90","","2018.7","0.4","140","","140","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Bi I4 N O S -","- C11 H15 Bi I4 N O S -","- C44 H60 Bi4 I16 N4 O4 S4 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0401","0.0303","","","0.068","0.0714","","","","","","1.026","","","","has coordinates","292952","2024-07-05","15:22:49",""
"7248698","9.4546","0.001","13.286","0.0012","13.9063","0.0011","81.087","0.003","76.125","0.004","69.233","0.004","1581","0.3","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Bi Br4.11 Cl1.89 N3 -","- C27 H28 Bi Br4.111 Cl1.889 N3 -","- C54 H56 Bi2 Br8.222 Cl3.778 N6 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0698","0.0384","","","0.0546","0.0633","","","","","","1.04","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248699","11.0547","0.0005","13.7612","0.0006","13.8907","0.0006","74.65","0.001","87.794","0.001","72.935","0.001","1946.28","0.15","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H34 Bi I6 N4 O -","- C30 H34 Bi I6 N4 O -","- C60 H68 Bi2 I12 N8 O2 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0229","0.0203","","","0.041","0.0417","","","","","","1.066","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248700","12.79","0.003","14.769","0.004","19.156","0.005","67.593","0.005","73.276","0.005","80.529","0.007","3197.6","1.4","140","","140","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H54 Bi2 Br8.49 Cl3.51 N6 -","- C54 H54 Bi2 Br8.489 Cl3.511 N6 -","- C108 H108 Bi4 Br16.978 Cl7.022 N12 -","2","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0721","0.0487","","","0.1086","0.1182","","","","","","1.027","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248701","22.399","0.002","21.812","0.002","32.531","0.003","90","","90","","90","","15894","3","100.15","","100.15","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C120 H136 Bi4 I24 N16 O4 -","- C120 H136 Bi4 I24 N16 O4 -","- C480 H544 Bi16 I96 N64 O16 -","4","1","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.0934","0.0751","","","0.1617","0.1753","","","","","","1.161","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248702","17.3495","0.0014","14.7084","0.0012","13.8354","0.0011","90","","121.69","0.002","90","","3004.2","0.4","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C45 H57 Bi I7 N7 O3 -","- C36 H36 Bi I7 N4 -","- C72 H72 Bi2 I14 N8 -","2","0.25","","Dudko, Ekaterina M.; Buikin, Petr A.; Ilyukhin, Andey B.; Korlyukov, Alexander A.; Dorovatovskii, Pavel V.; Simonenko, Nikolai P.; Kotov, Vitalii Yu.","Thermal decomposition of DMSO or DMF solvates: an advanced method for obtaining new hybrid bismuth(iii) halides","CrystEngComm","2024","26","26","3490","3500","10.1039/D4CE00279B","","","0.71073","MoKα","","0.044","0.0417","","","0.1186","0.1213","","","","","","1.046","","","","has coordinates,has disorder","292952","2024-07-05","15:22:49",""
"7248703","27.025","0.005","30.658","0.006","18.995","0.004","90","","132.465","0.002","90","","11610","4","170","","170","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","1","","- C16 H90 Co4 N16 Na2 O58 Ta12 -","- C16 H16 Co4 N16 Na2 O57 Ta12 -","- C64 H64 Co16 N64 Na8 O228 Ta48 -","4","0.5","","Cao, Yun-Fei; Lin, Yu-Jin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","26","26","3527","3534","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0458","0.0364","","","0.0972","0.104","","","","","","1.064","","","","has coordinates,has disorder","292947","2024-07-05","15:20:58",""
"7248704","10.3393","0.0009","12.4346","0.0011","15.4023","0.0013","75.628","0.001","81.024","0.002","82.131","0.001","1884.7","0.3","170","","170","","","","","","","","","8","P -1","-P 1","2","","1","","- C4 H90 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","- C4 Co2 K2 N4 Na6 O74 Ta12 -","1","0.5","","Cao, Yun-Fei; Lin, Yu-Jin; Li, Xin-Xiong; Sun, Yan-Qiong; Zheng, Shou-Tian","Two resistance-switchable hybrid polyoxotantalates based on {Co2Ta12} clusters","CrystEngComm","2024","26","26","3527","3534","10.1039/D4CE00319E","","","0.71073","MoKα","","0.0606","0.0434","","","0.1132","0.1243","","","","","","1.037","","","","has coordinates","292947","2024-07-05","15:20:58",""
"7248705","29.7023","0.0015","29.7023","0.0015","5.3577","0.0003","90","","90","","120","","4093.4","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl-2-amino-5-methoxybenzoate","","- C9 H11 N O3 -","- C9 H11 N O3 -","- C162 H198 N18 O54 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","26","23","3021","3025","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0637","0.0438","","","0.097","0.1071","","","","","","1.03","","","","has coordinates","292984","2024-07-05","15:36:21",""
"7248706","27.6948","0.0015","27.6948","0.0015","5.9072","0.0004","90","","90","","120","","3923.8","0.4","113.15","","113.15","","","","","","","","","4","R -3 :H","-R 3","148","","Methyl 2-amino-5-methylbenzoate","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C162 H198 N18 O36 -","18","1","","Li, Zhonghua; Jia, Shengzhe; Wu, Songgu; Gong, Junbo","Influence of the substituent in the benzene ring on the structure and properties of two isostructural crystals","CrystEngComm","2024","26","23","3021","3025","10.1039/D4CE00163J","","x-ray","0.71073","MoKα","","0.0778","0.0522","","","0.114","0.1302","","","","","","1.044","","","","has coordinates","292984","2024-07-05","15:36:21",""
"7248707","16.719","0.006","7.935","0.003","11.68","0.004","90","","101.248","0.006","90","","1519.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 F3 O3 S -","- C15 H13 F3 O3 S -","- C60 H52 F12 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1001","0.0815","","","0.1986","0.2126","","","","","","1.068","","","","has coordinates,has disorder","292953","2024-07-05","15:23:13",""
"7248708","7.5635","0.0005","24.1053","0.0016","8.0213","0.0005","90","","104.686","0.001","90","","1414.67","0.16","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H13 Br O3 S -","- C14 H13 Br O3 S -","- C56 H52 Br4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0931","0.0497","","","0.1328","0.1596","","","","","","0.94","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248709","15.5325","0.0008","7.7124","0.0003","11.7108","0.0005","90","","100.106","0.004","90","","1381.1","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl O3 S -","- C14 H13 Cl O3 S -","- C56 H52 Cl4 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0354","0.032","","","0.0852","0.0882","","","","","","1.025","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248710","10.1905","0.0006","26.3756","0.0019","11.062","0.0008","90","","94.342","0.002","90","","2964.7","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H14 F3 N O2 S -","- C15 H14 F3 N O2 S -","- C120 H112 F24 N8 O16 S8 -","8","4","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0642","0.0559","","","0.1515","0.1585","","","","","","1.048","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248711","9.1017","0.0004","5.7077","0.0002","25.1568","0.0011","90","","90","","90","","1306.89","0.09","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H15 N O2 S -","- C14 H15 N O2 S -","- C56 H60 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0244","0.0241","","","0.0624","0.0626","","","","","","1.083","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248712","26.8683","0.0014","5.8303","0.0003","9.064","0.0005","90","","98.976","0.002","90","","1402.49","0.13","110","2","110","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Br N O2 S -","- C14 H14 Br N O2 S -","- C56 H56 Br4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0341","0.0312","","","0.0746","0.0759","","","","","","1.101","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248713","15.27","0.004","5.4721","0.0015","17.456","0.005","90","","109.587","0.008","90","","1374.2","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 S -","- C15 H17 N O2 S -","- C60 H68 N4 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1268","0.1141","","","0.3133","0.3314","","","","","","1.071","","","","has coordinates,has disorder","292953","2024-07-05","15:23:13",""
"7248714","7.5399","0.0005","7.6427","0.0005","24.2467","0.0016","90","","93.27","0.004","90","","1394.95","0.16","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O3 S -","- C14 H16 N2 O3 S -","- C56 H64 N8 O12 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0528","0.0452","","","0.1059","0.1097","","","","","","1.117","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248715","26.5795","0.0011","5.7691","0.0002","9.0833","0.0004","90","","98.991","0.001","90","","1375.72","0.1","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C14 H14 Cl N O2 S -","- C14 H14 Cl N O2 S -","- C56 H56 Cl4 N4 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0385","0.0335","","","0.0759","0.0783","","","","","","1.029","","","","has coordinates","292953","2024-07-05","15:23:13",""
"7248716","9.1812","0.0006","5.7173","0.0004","53.186","0.004","90","","90","","90","","2791.8","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C15 H14 N2 O2 S -","- C15 H14 N2 O2 S -","- C120 H112 N16 O16 S8 -","8","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0903","0.0886","","","0.2034","0.2042","","","","","","1.172","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248717","14.225","0.003","7.0381","0.0014","14.882","0.003","90","","116.423","0.007","90","","1334.3","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Cl N2 O2 S -","- C13 H13 Cl N2 O2 S -","- C52 H52 Cl4 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0276","0.0265","","","0.0728","0.0737","","","","","","1.065","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248718","5.4885","0.0003","9.4202","0.0005","24.6029","0.0014","90","","95.597","0.002","90","","1265.97","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O2 S -","- C13 H14 N2 O2 S -","- C52 H56 N8 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0443","0.0384","","","0.0947","0.0981","","","","","","1.065","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248719","7.6373","0.0003","11.5197","0.0004","16.1227","0.0006","89.774","0.001","80.11","0.001","85.664","0.001","1393.33","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 N O3 S -","- C15 H17 N O3 S -","- C60 H68 N4 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0311","0.0299","","","0.0826","0.0838","","","","","","1.04","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248720","7.7896","0.001","15.722","0.002","22.587","0.003","90","","90","","90","","2766.2","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O2 S -","- C14 H16 N2 O2 S -","- C112 H128 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0707","0.0597","","","0.1328","0.1382","","","","","","1.166","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248721","5.5952","0.0002","12.3194","0.0004","20.3022","0.0007","88.811","0.001","85.772","0.001","76.874","0.001","1359.14","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br N2 O2 S -","- C13 H13 Br N2 O2 S -","- C52 H52 Br4 N8 O8 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0277","0.023","","","0.058","0.0597","","","","","","1.025","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248722","25.3896","0.0008","5.0011","0.0002","22.3676","0.0008","90","","94.337","0.002","90","","2832.01","0.18","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 F3 N2 O2 S -","- C14 H13 F3 N2 O2 S -","- C112 H104 F24 N16 O16 S8 -","8","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.0478","0.0453","","","0.1049","0.1066","","","","","","1.074","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248723","7.3793","0.0006","8.1389","0.0007","24.315","0.002","85.636","0.005","89.814","0.005","74.498","0.004","1402.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C60 H64 O12 S4 -","4","2","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.1373","0.1224","","","0.3","0.3076","","","","","","1.103","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248724","14.7745","0.0004","6.9327","0.0002","14.9312","0.0004","90","","118.484","0.001","90","","1344.23","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O2 S -","- C14 H13 N3 O2 S -","- C56 H52 N12 O8 S4 -","4","1","","Shaikh, Samir R.; Gawade, Rupesh L.; Dabke, Niteen B.; Dash, Soumya R.; Vanka, Kumar; Gonnade, Rajesh G.","Crystal engineering for intramolecular π–π stacking: effect of substitution of electron-donating and electron-withdrawing groups on the molecular geometry in conformationally flexible Sulfoesters and sulfonamides","CrystEngComm","2024","26","26","3557","3573","10.1039/D4CE00309H","","","0.71073","MoKα","","0.034","0.032","","","0.0803","0.0816","","","","","","1.081","","","","has coordinates","292953","2024-07-05","15:23:14",""
"7248748","14.0454","0.0006","7.0154","0.0003","20.9702","0.001","90","","105.948","0.002","90","","1986.75","0.15","103","","103","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H20 F20 Ni2 O10 -","- C38 H20 F20 Ni2 O10 -","- C76 H40 F40 Ni4 O20 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0318","0.0278","","","0.0589","0.0608","","","","","","1.084","","","","has coordinates","292978","2024-07-05","15:34:59",""
"7248749","5.0933","0.0007","13.6611","0.0018","13.976","0.002","98.835","0.004","99.813","0.004","90.305","0.004","946.4","0.2","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","- C36 H12 Cu2 F20 O8 -","1","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0979","0.0635","","","0.1327","0.1475","","","","","","1.117","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248750","10.605","0.002","13.738","0.003","13.967","0.003","98.221","0.002","94.599","0.002","99.35","0.002","1976","0.7","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H16 Cu2 F20 O8 -","- C38 H16 Cu2 F20 O8 -","- C76 H32 Cu4 F40 O16 -","2","1","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0442","0.0353","","","0.0908","0.0967","","","","","","1.052","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248751","12.4777","0.0005","13.9837","0.0004","14.3744","0.0005","90","","102.552","0.001","90","","2448.16","0.15","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 F20 Ni2 O14 -","- C42 H36 F20 Ni2 O14 -","- C84 H72 F40 Ni4 O28 -","2","0.5","","Habuka, Yusuke; Usui, Hirotomo; Okawa, Mizuki; Shinohara, Takanori; Yuge, Hidetaka; Mao, Yuchen; Gong, Jin; Richards, Gary J.; Hori, Akiko","Selective recognition and reversible encapsulation of tetrameric alcohol clusters via hydrogen bonds using a perfluorinated dinuclear nickel(ii) complex","CrystEngComm","2024","26","23","3014","3020","10.1039/D4CE00166D","","","0.71073","MoKα","","0.0548","0.0359","","","0.0708","0.0772","","","","","","1.034","","","","has coordinates","292978","2024-07-05","15:35:00",""
"7248752","6.6055","0.0007","7.4668","0.001","12.196","0.0016","103.927","0.005","90.111","0.004","95.743","0.004","580.71","0.13","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C14 H32 Cd2 Cl6 N2 -","2","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0379","0.0347","","","0.089","0.0934","","","","","","1.043","","","","has coordinates","292963","2024-07-05","15:28:59",""
"7248753","12.2318","0.0012","6.6515","0.0006","15.0423","0.0012","90","","103.61","0.003","90","","1189.47","0.19","400","","400","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0503","0.0356","","","0.0811","0.0905","","","","","","1.049","","","","has coordinates","292963","2024-07-05","15:29:00",""
"7248754","12.229","0.002","6.6525","0.0011","15.025","0.002","90","","103.592","0.006","90","","1188.1","0.3","388","","388","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","1","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.0401","0.0309","","","0.0739","0.0806","","","","","","1.042","","","","has coordinates","292963","2024-07-05","15:29:00",""
"7248755","7.5694","0.0014","24.091","0.004","6.6715","0.0012","90","","90","","90","","1216.6","0.4","448","","448","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C7 H16 Cd Cl3 N -","- C7 H16 Cd Cl3 N -","- C28 H64 Cd4 Cl12 N4 -","4","0.25","","Hua, Xiu-Ni; Cai, Zhuoer; Huang, Tian-Tian; Cui, Jing-Han; Shi, Xian; Zhang, Xiang; Zhang, Yinan; Chen, Jian; Xu, Kai; Duan, Hai-Bao","Successive high-temperature phase transitions triggered dielectric switching in a one-dimensional hybrid perovskite with blue emission","CrystEngComm","2024","26","25","3325","3330","10.1039/D4CE00415A","","","0.71073","MoKα","","0.037","0.0326","","","0.0853","0.0898","","","","","","1.088","","","","has coordinates,has disorder","292963","2024-07-05","15:29:00",""
"7248762","12.174","0.003","12.458","0.003","13.317","0.003","80.136","0.003","81.546","0.004","83.025","0.004","1958.6","0.8","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C68 H Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","- C68 H44 Co3 N4 O14 -","1","0.5","","Zhang, Shu-Ran; Qin, Shao-Dan; Xu, Guang-Juan; Xie, Wei; Xu, Na; Jiang, Nan; Xu, Yan-Hong; Hu, Xiao-Li; Su, Zhong-Min","Co-based MOF as an efficient catalyst by peroxymonosulfate activation for degradation of tetracycline: synthesis and performance","CrystEngComm","2024","26","27","3744","3753","10.1039/D4CE00350K","","","0.71073","MoKα","","0.1131","0.0557","","","0.1276","0.1536","","","","","","0.908","","","","has coordinates","293793","2024-08-05","18:26:42",""
"7248763","8.2876","0.0017","11.814","0.003","8.2579","0.0018","90","","90","","90","","808.5","0.3","300","2","300","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br2.7 Cs I0.3 Pb -","- Br2.7 Cs I0.3 Pb -","- Br10.8 Cs4 I1.2 Pb4 -","4","0.5","","Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen","Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr2.7I0.3","CrystEngComm","2024","26","24","3162","3166","10.1039/D4CE00235K","","","0.71073","MoKα","","0.0787","0.0437","","","0.0893","0.1069","","","","","","1.02","","","","has coordinates,has disorder","292939","2024-07-05","15:18:11",""
"7248781","12.1399","0.0008","3.6287","0.0003","11.6102","0.0007","90","","90","","90","","511.45","0.06","100","2","100","2","","","","","","","","4","P m n a","-P 2ac 2","53","","","","- C2 H4 N6 O -","- C2 H4 N6 O -","- C8 H16 N24 O4 -","4","0.5","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0518","0.0441","","","0.1041","0.1116","","","","","","1.028","","","","has coordinates","292962","2024-07-05","15:28:48",""
"7248782","20.0924","0.0005","5.8345","0.0001","12.1652","0.0003","90","","98.823","0.001","90","","1409.24","0.06","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 H4 N8 O3 -","- C2 H4 N8 O3 -","- C16 H32 N64 O24 -","8","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.031","0.0293","","","0.079","0.0801","","","","","","1.074","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248783","19.6742","0.0016","3.7044","0.0003","8.671","0.0006","90","","90","","90","","631.95","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C2 H7 N7 O2 -","- C2 H7 N7 O2 -","- C8 H28 N28 O8 -","4","1","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0437","0.0399","","","0.093","0.096","","","","","","1.051","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248784","14.1872","0.0015","9.3706","0.0007","8.6822","0.0008","90","","90","","90","","1154.23","0.18","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H5 N7 O -","- C2 H5 N7 O -","- C16 H40 N56 O8 -","8","2","","Balabanova, Sofya P.; Voronin, Alexey A.; Churakov, Alexandr M.; Klenov, Michael S.; Fedyanin, Ivan V.; Pivkina, Alla N.; Meerov, Dmitry B.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Strelenko, Yurii A.; Erokhin, Kirill S.; Zelenov, Victor P.; Tartakovsky, Vladimir A.","Insight into the structural and energetic features of substituted triazolofurazans","CrystEngComm","2024","26","25","3349","3362","10.1039/D4CE00329B","","","0.71073","MoKα","","0.0791","0.055","","","0.1046","0.1164","","","","","","1.009","","","","has coordinates","292962","2024-07-05","15:28:49",""
"7248785","20.0632","0.0007","9.1635","0.0003","32.526","0.001","90","","107.488","0.003","90","","5703.5","0.3","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H25 Ce N4 O7 -","- C29 H25 Ce N4 O7 -","- C232 H200 Ce8 N32 O56 -","8","1","","Liu, Tong-Ji; Xu, Hang; Shi, Ying; Zhao, Bin","A highly stable cerium–organic framework: an efficient catalyst for the cycloaddition of CO2 and aziridines under mild-pressure","CrystEngComm","2024","26","27","3687","3693","10.1039/D4CE00167B","","x-ray","0.71073","MoKα","","0.0341","0.0276","","","0.0508","0.0536","","","","","","1.108","","","","has coordinates","293796","2024-08-05","18:27:32",""
"7248786","10.1527","0.0001","21.4379","0.0003","12.6218","0.0002","90","","96.047","0.001","90","","2731.88","0.06","120","0.1","120","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cu2 N10 O14 -","- C56 H50 Cu2 N10 O14 -","- C112 H100 Cu4 N20 O28 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0458","0.0396","","","0.101","0.1059","","","","","","1.042","","","","has coordinates,has disorder","292965","2024-07-05","15:29:35",""
"7248787","10.8808","0.0003","11.1603","0.0003","12.5136","0.0003","111.044","0.002","107.145","0.002","95.432","0.002","1320.49","0.07","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","- C56 H44 Cu2 N10 O12 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.056","0.0476","","","0.1154","0.1198","","","","","","1.078","","","","has coordinates,has disorder","292965","2024-07-05","15:29:35",""
"7248788","7.1723","0.0001","10.3009","0.0001","13.3438","0.0001","90","","99.696","0.001","90","","971.773","0.018","120.01","0.1","120.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N6 O6 -","- C20 H16 N6 O6 -","- C40 H32 N12 O12 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0406","0.0377","","","0.1011","0.1034","","","","","","1.098","","","","has coordinates","292965","2024-07-05","15:29:36",""
"7248789","10.1841","0.0002","22.1378","0.0004","12.2623","0.0002","90","","96.771","0.002","90","","2745.3","0.09","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H48 N10 Ni2 O13 -","- C56 H48 N10 Ni2 O13 -","- C112 H96 N20 Ni4 O26 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0891","0.0572","","","0.1235","0.1377","","","","","","1.082","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248790","11.2569","0.0011","13.4025","0.0017","13.5086","0.0013","61.328","0.011","71.172","0.009","75.382","0.01","1680.8","0.4","120.01","0.1","120.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","- C76 H55 N14 Ni2 O10.5 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0989","0.0644","","","0.1346","0.1493","","","","","","1.078","","","","has coordinates","292965","2024-07-05","15:29:36",""
"7248791","10.1534","0.0002","10.8388","0.0002","17.2424","0.0002","88.548","0.001","89.922","0.002","84.669","0.002","1888.72","0.06","120.15","","120.15","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","- C72 H44 Cu8 N8 O32 S4 -","1","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1075","0.1118","","","","","","1.031","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248792","13.5935","0.0003","29.6842","0.0009","17.6639","0.0005","90","","104.823","0.003","90","","6890.4","0.3","273","0.1","273","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H132 N24 Ni3 O32 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0943","0.0809","","","0.2226","0.2324","","","","","","1.053","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248793","13.6311","0.0001","30.6414","0.0001","16.9666","0.0001","90","","104.013","0.001","90","","6875.65","0.07","120.15","","120.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C134 H146 N26 Ni3 O34 S2 -","- C134 H146 N26 Ni3 O34 S2 -","- C268 H292 N52 Ni6 O68 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0546","0.0506","","","0.1334","0.1366","","","","","","1.063","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248794","13.6178","0.0001","29.7718","0.0002","17.1157","0.0002","90","","104.098","0.001","90","","6730.15","0.11","120","0.1","120","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C128 H136 N24 Ni3 O34 S2 -","- C116 H80 N20 Ni3 O16 S2 -","- C232 H160 N40 Ni6 O32 S4 -","2","0.5","","Marttinen, Antti; Lahtinen, Manu","Aqueous syntheses of anthracene-based mixed-ligand coordination polymers and their structural and optical properties","CrystEngComm","2024","26","25","3388","3400","10.1039/D4CE00399C","","x-ray","1.54184","CuKα","","0.0911","0.0857","","","0.2222","0.2267","","","","","","1.083","","","","has coordinates,has disorder","292965","2024-07-05","15:29:36",""
"7248795","7.8012","0.0003","5.3813","0.0002","12.1746","0.0004","90","","102.724","0.0011","90","","498.55","0.03","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","L-Analyl-glycyl-glycine monohydrate","","- C7 H15 N3 O5 -","- C7 H15 N3 O5 -","- C14 H30 N6 O10 -","2","1","","Toomey, Ryan; Wang, Luther; Heider, Emily C.; Hartman, Joshua D.; Nichols, Alexander J.; Myles, Dean A. A.; Gardberg, Anna S.; McIntyre, Garry J.; Zeller, Matthias; Mehta, Manish A.; Harper, James K.","NMR-guided refinement of crystal structures using 15N chemical shift tensors","CrystEngComm","2024","26","25","3289","3302","10.1039/D4CE00237G","","","1.5","neutron","","0.0554","0.0549","","","0.1351","0.1355","","","","","","1.071","","","","has coordinates","292964","2024-07-05","15:29:06",""
"7248796","15.1803","0.0007","15.8937","0.0008","31.1603","0.0012","90","","90","","90","","7518.1","0.6","296","2","296.15","","","","","","","","","5","P n n n :2","-P 2ab 2bc","48","","","","- C37 H26 Cd N2 O6 -","- C37 H26 Cd N2 O6 -","- C296 H208 Cd8 N16 O48 -","8","1","","Chen, Wei-Min; Zhang, Yi; Xue, Zhen-Dong; Zhu, Hao-Yu; Gao, Qiang; Chen, Li-Zhuang; Wang, Fang-Ming","Three new AIE-cored luminescent Cd-based MOFs with high quantum yields and selective detection of ions in aqueous media","CrystEngComm","2024","26","26","3483","3489","10.1039/D4CE00446A","","","0.71073","MoKα","","0.1882","0.0742","","","0.1681","0.2225","","","","","","1.001","","","","has coordinates","292946","2024-07-05","15:20:37",""
"7248797","11.7204","0.0002","8.4362","0.0002","21.7076","0.0005","90","","98.393","0.002","90","","2123.37","0.08","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 Cl N4 O6 -","- C21 H23 Cl N4 O6 -","- C84 H92 Cl4 N16 O24 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0533","0.0441","","","0.1099","0.1178","","","","","","1.036","","","","has coordinates","293785","2024-08-05","18:25:03",""
"7248798","17.5775","0.0009","8.5067","0.0004","16.7661","0.0009","90","","106.408","0.006","90","","2404.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 N4 O8 -","- C24 H30 N4 O8 -","- C96 H120 N16 O32 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1354","0.0918","","","0.1788","0.2","","","","","","1.144","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248799","12.0964","0.0003","9.7449","0.0002","20.4019","0.0006","90","","101.15","0.002","90","","2359.54","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N5 O7 -","- C23 H27 N5 O7 -","- C92 H108 N20 O28 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.1613","0.0944","","","0.1802","0.2138","","","","","","1.062","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248800","12.2812","0.0002","11.5143","0.0002","14.0952","0.0002","90","","107.887","0.002","90","","1896.85","0.06","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H44 N8 O12 S2 -","- C38 H44 N8 O12 S2 -","- C76 H88 N16 O24 S4 -","2","0.5","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0402","0.0365","","","0.095","0.0984","","","","","","1.009","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248801","10.6038","0.0007","12.9331","0.0011","14.4781","0.0008","67.818","0.006","84.598","0.005","84.69","0.006","1826.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N10 O11 -","- C34 H42 N10 O11 -","- C68 H84 N20 O22 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","1.54184","CuKα","","0.0983","0.06","","","0.1517","0.1786","","","","","","1.026","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248802","14.4664","0.0004","12.6295","0.0002","12.7478","0.0004","90","","111.155","0.003","90","","2172.1","0.11","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20.37 H23.49 N6 O7.37 -","- C20.372 H23.488 N6 O7.372 -","- C81.488 H93.952 N24 O29.488 -","4","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0623","0.0512","","","0.1301","0.1395","","","","","","1.02","","","","has coordinates,has disorder","293785","2024-08-05","18:25:04",""
"7248803","16.9699","0.0004","17.1267","0.0005","17.9029","0.0003","63.782","0.003","64.481","0.002","84.746","0.002","4181.1","0.2","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 N4 O8 -","- C20 H22 N4 O8 -","- C160 H176 N32 O64 -","8","4","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0797","0.0595","","","0.1476","0.1662","","","","","","1.03","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248804","11.4318","0.0001","11.9311","0.0001","12.8427","0.0002","83.493","0.001","68.677","0.001","61.801","0.001","1434.43","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N4 O11 S2 -","- C26 H34 N4 O11 S2 -","- C52 H68 N8 O22 S4 -","2","1","","Zhang, Liang; Wu, Di; Zhang, Menglong; Yu, Fuhai; Bao, Ying; Xie, Chuang; Hou, Baohong; Jing, Dingding; Zhang, Chuntao; Chen, Wei","Theoretical and experimental study of pharmaceutical salts: a case of trimethoprim","CrystEngComm","2024","26","28","3808","3822","10.1039/D4CE00345D","","x-ray","0.71073","MoKα","","0.0589","0.0464","","","0.1116","0.1201","","","","","","1.037","","","","has coordinates","293785","2024-08-05","18:25:04",""
"7248805","8.8391","0.0005","26.4003","0.0012","9.9765","0.0005","90","","106.136","0.005","90","","2236.4","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 B2 Cu F8 N8 O4 -","- C42 H48 B2 Cu F8 N8 O4 -","- C84 H96 B4 Cu2 F16 N16 O8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0715","0.0442","","","0.0839","0.0925","","","","","","1.025","","","","has coordinates,has disorder","292948","2024-07-05","15:21:34",""
"7248806","8.9408","0.0008","9.5997","0.0011","13.2336","0.0009","104.392","0.008","92.473","0.007","106.907","0.009","1044.43","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","- C40 H44 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0667","","","0.1458","0.1626","","","","","","1.055","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248807","9.016","0.0008","9.6842","0.0007","13.7262","0.0008","69.875","0.006","80.108","0.007","72.626","0.007","1070.76","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","- C40.2 H43.2 B2 Cu F8 N8 O1.4 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0962","0.0845","","","0.2183","0.2317","","","","","","1.026","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248808","15.0482","0.0005","15.3209","0.0005","16.1054","0.0007","103.71","0.003","110.373","0.004","100.587","0.003","3234","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41.333 H45.333 B2 Cu F8 N8 O1.333 -","- C41.3333 H45.3333 B2 Cu F8 N8 O1.33333 -","- C124 H136 B6 Cu3 F24 N24 O4 -","3","1.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0867","0.0573","","","0.1353","0.1558","","","","","","1.038","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248809","8.8582","0.0004","9.5536","0.0007","13.4305","0.0009","105.47","0.006","92.908","0.005","107.642","0.005","1033.13","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","- C38 H40 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0509","0.0442","","","0.0983","0.1036","","","","","","1.056","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248810","9.234","0.0006","9.995","0.0008","13.3246","0.0009","105.451","0.006","94.995","0.005","104.322","0.006","1132.98","0.15","100","2","100","2","","","","","","","1-butanol/n-hexane","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0861","0.0634","","","0.1504","0.1593","","","","","","1.182","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248811","9.3029","0.0007","9.9439","0.0008","14.3527","0.0011","73.234","0.007","73.473","0.007","73.13","0.007","1187.02","0.17","100","2","100","2","","","","","","","1-pentanol/diethyl ether","7","P -1","-P 1","2","","","","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","- C46 H56 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","1.54184","CuKα","","0.0401","0.0347","","","0.0872","0.0922","","","","","","1.054","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248812","9.1101","0.0003","9.9335","0.0004","13.3316","0.0006","104.812","0.004","94.552","0.003","104.842","0.004","1113.82","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","- C42 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0557","0.0431","","","0.097","0.1051","","","","","","1.072","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248813","9.4113","0.0009","10.2218","0.0012","12.812","0.0012","87.054","0.009","75.179","0.009","70.705","0.01","1123.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","- C44 H48 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0761","0.0565","","","0.138","0.1537","","","","","","1.061","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248814","8.95","0.003","9.655","0.003","13.284","0.004","73.31","0.03","87.75","0.02","72.57","0.03","1047.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","- C39.6 H39.2 B2 Cu F8 N8 O1.2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1478","0.0891","","","0.2167","0.2647","","","","","","1.043","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248815","17.5681","0.0007","9.8878","0.0003","24.2057","0.0009","90","","96.253","0.003","90","","4179.8","0.3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C38.8 H40.4 Cu F4 N8.8 O5.6 Si2 -","- C155.2 H161.6 Cu4 F16 N35.2 O22.4 Si8 -","4","1","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0778","0.061","","","0.1546","0.1676","","","","","","1.061","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248816","8.7411","0.001","9.7698","0.0014","12.811","0.002","97.513","0.013","93.679","0.012","107.576","0.012","1027.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","- C42 H46 B2 Cu F8 N8 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.064","0.0508","","","0.1155","0.1261","","","","","","1.06","","","","has coordinates","292948","2024-07-05","15:21:35",""
"7248817","9.2904","0.0012","9.9448","0.0016","14.0725","0.0019","110.2","0.013","94.866","0.011","105.768","0.012","1151.1","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","- C44 H52 B2 Cu F8 N8 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0796","0.0565","","","0.1292","0.1503","","","","","","1.051","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248818","9.0724","0.0007","9.8173","0.0007","14.3397","0.0009","75.963","0.006","71.693","0.006","71.238","0.007","1133.8","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","- C42 H46 B2 Cu F8 N10 O2 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0496","0.0401","","","0.0911","0.1003","","","","","","1.015","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248819","9.2398","0.0007","9.9904","0.0009","12.6976","0.0012","78.043","0.008","85.634","0.007","73.908","0.007","1101.53","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","- C43.4 H46.8 B2 Cu F8 N8 O3.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1355","0.0898","","","0.2293","0.269","","","","","","1.02","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248820","8.7016","0.0006","9.8158","0.0008","12.9608","0.0014","96.464","0.008","96.268","0.008","106.15","0.007","1045.07","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","- C40.2 H41.8 B2 Cu F8 N8 O0.7 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.1009","0.0855","","","0.2155","0.2269","","","","","","1.101","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248821","8.6393","0.0005","9.7696","0.0006","12.8911","0.0008","99.164","0.005","93.555","0.005","106.361","0.006","1024.08","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","- C39.44 H38.88 B2 Cu F8 N8 O1.72 -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0619","0.0555","","","0.1438","0.15","","","","","","1.045","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248822","8.5831","0.0009","9.7612","0.0011","12.8928","0.0011","98.221","0.008","93.854","0.008","107.301","0.01","1013.8","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","- C40 H42 B2 Cu F8 N8 O -","1","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0703","0.0466","","","0.0922","0.1025","","","","","","1.033","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248823","11.1724","0.0004","12.347","0.0006","13.8235","0.0006","90","","90","","90","","1906.89","0.14","100","2","100","2","","","","","","","","7","P n n 2","P 2 -2n","34","","","","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C38 H35.8 B2 Cu F8 N9 O0.4 -","- C76 H71.6 B4 Cu2 F16 N18 O0.8 -","2","0.5","","Delegkou, Maria-Ioanna; Panagiotou, Nikos; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios; Papaioannou, Dionissios; Perlepes, Spyros P.; Nastopoulos, Vassilios","Solvatomorphism with polar protic/aprotic and non-polar solvents in a series of complexes derived from the 5-phenylimidazole/tetrafluoroborate/copper(ii) reaction system","CrystEngComm","2024","26","26","3574","3592","10.1039/D4CE00304G","","","0.71073","MoKα","","0.0543","0.0453","","","0.1162","0.1259","","","","","","1.021","","","","has coordinates,has disorder","292948","2024-07-05","15:21:35",""
"7248826","7.1351","0.0003","24.6782","0.0007","7.2386","0.0003","90","","107.239","0.004","90","","1217.32","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H13 Cd Cl4 N -","- C7 H13 Cd Cl4 N -","- C28 H52 Cd4 Cl16 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1247","0.1025","","","0.2507","0.2752","","","","","","1.027","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248827","16.7102","0.0001","16.7102","0.0001","6.8101","0.0001","90","","90","","120","","1646.82","0.03","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","","1.54178","CuKα","","0.1148","0.1135","","","0.2707","0.2733","","","","","","1.191","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248828","8.3125","0.0009","9.4931","0.0009","11.6083","0.0011","90","","90","","90","","916.03","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H13 Cl2 N -","- C7 H13 Cl2 N -","- C28 H52 Cl8 N4 -","4","1","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0742","0.0487","","","0.1255","0.1381","","","","","","1.032","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248829","16.8561","0.0013","16.8561","0.0013","6.8554","0.0005","90","","90","","120","","1686.9","0.2","293","2","293","2","","","","","","","","5","P 63","P 6c","173","","","","- C21 H39 Cd2 Cl10 N3 -","- C21 H39 Cd2 Cl10 N3 -","- C42 H78 Cd4 Cl20 N6 -","2","0.333333","","Xu, Zhe-Kun; Zhang, Jia-Mei; Wang, Zhong-Xia","Homochiral hybrid hexagonal antiperovskite crystals [R- and S-3-chloroquinuclidinium]3(CdCl3)(CdCl4)","CrystEngComm","2024","26","28","3874","3879","10.1039/D4CE00504J","","x-ray","0.71073","MoKα","","0.0681","0.0447","","","0.0953","0.1044","","","","","","0.998","","","","has coordinates","293789","2024-08-05","18:26:01",""
"7248830","8.3391","0.001","9.0572","0.001","15.2669","0.0017","91.249","0.003","100.527","0.003","93.264","0.003","1131.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H20 F4 N4 O3 S -","- C23 H20 F4 N4 O3 S -","- C46 H40 F8 N8 O6 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0469","0.0357","","","0.0874","0.0946","","","","","","1.026","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248831","8.2956","0.0007","9.1182","0.0008","15.2824","0.0014","91.758","0.003","100.425","0.003","92.84","0.003","1134.57","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 F4 N5 O2 S -","- C23 H18 F4 N5 O2 S -","- C46 H36 F8 N10 O4 S2 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0697","0.041","","","0.088","0.1007","","","","","","1.013","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248832","11.6684","0.0009","12.5374","0.001","17.0985","0.0013","99.742","0.002","94.952","0.002","117.376","0.002","2150.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H34 F8 N9 O4 S2 -","- C44 H34 F8 N9 O4 S2 -","- C88 H68 F16 N18 O8 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0504","0.0387","","","0.0924","0.0992","","","","","","1.017","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248833","11.669","0.002","12.5","0.003","17.234","0.004","75.064","0.006","84.535","0.006","62.435","0.005","2152.3","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H36 F8 N8 O5 S2 -","- C44 H36 F8 N8 O5 S2 -","- C88 H72 F16 N16 O10 S4 -","2","1","","Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem O.; Balasubramanian, Sridhar","Design of pyrazine cocrystals of enzalutamide: a lead from 1,4-dioxane solvates","CrystEngComm","2024","26","28","3851","3866","10.1039/D4CE00566J","","","0.71073","MoKα","","0.0884","0.047","","","0.1057","0.1291","","","","","","1.026","","","","has coordinates,has disorder","293787","2024-08-05","18:25:33",""
"7248834","16.8957","0.0007","16.0165","0.0007","16.5508","0.0007","90","","111.295","0.0017","90","","4173","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H21 N O13 S U -","- C14 H21 N O13 S U -","- C112 H168 N8 O104 S8 U8 -","8","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0167","0.0153","","","0.0398","0.041","","","","","","1.07","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248835","8.4357","0.0004","10.8597","0.0005","10.93","0.0005","107.615","0.002","98.577","0.002","110.983","0.0019","852.93","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O8 U -","- C15 H19 N O8 U -","- C30 H38 N2 O16 U2 -","2","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0144","0.0139","","","0.0341","0.0343","","","","","","1.106","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248836","8.9441","0.0004","15.7697","0.0008","18.0045","0.001","90","","102.834","0.002","90","","2476","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O9 U -","- C20 H28 N2 O9 U -","- C80 H112 N8 O36 U4 -","4","2","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0332","0.0323","","","0.0704","0.0708","","","","","","1.165","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248837","11.5459","0.0008","7.6285","0.0005","23.9919","0.0018","90","","93.933","0.003","90","","2108.2","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O8 U -","- C20 H20 N2 O8 U -","- C80 H80 N8 O32 U4 -","4","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0448","0.0436","","","0.0949","0.0953","","","","","","1.443","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248838","8.8256","0.0006","9.8335","0.0007","10.6502","0.0008","69.704","0.003","77.981","0.003","74.084","0.002","827.09","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O8.5 U -","- C16 H14 N O8.5 U -","- C32 H28 N2 O17 U2 -","2","1","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0299","0.0274","","","0.0658","0.0684","","","","","","1.154","","","","has coordinates","293798","2024-08-05","18:28:35",""
"7248839","13.397","0.0004","13.1905","0.0004","23.2768","0.0006","90","","90","","90","","4113.3","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H18.5 N1.5 O10 U -","- C19 H18.5 N1.5 O10 U -","- C152 H148 N12 O80 U8 -","8","2","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0255","0.0246","","","0.0601","0.0606","","","","","","1.066","","","","has coordinates,has disorder","293798","2024-08-05","18:28:35",""
"7248840","8.3349","0.0003","12.2484","0.0003","24.361","0.0008","90","","94.5772","0.0015","90","","2479.06","0.14","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 N4 O26 U4 -","- C40 H48 N4 O26 U4 -","- C80 H96 N8 O52 U8 -","2","0.5","","Atoini, Youssef; Harrowfield, Jack; Thuéry, Pierre","4-(Ammoniomethyl)benzoate, a protic zwitterionic bifunctional linker in uranyl ion carboxylate complexes","CrystEngComm","2024","26","27","3714","3725","10.1039/D4CE00381K","","","0.71073","MoKα","","0.0291","0.0275","","","0.0602","0.0607","","","","","","1.336","","","","has coordinates,has disorder","293798","2024-08-05","18:28:35",""
"7248841","21.5579","0.0005","21.5579","0.0005","21.5579","0.0005","90","","90","","90","","10018.9","0.4","299","2","299.15","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C96 H48 O67 Tb12 -","- C96 H48 O67 Tb12 -","- C192 H96 O134 Tb24 -","2","0.0104167","","Cao, Wenqian; Teng, Fangying; Cui, Yuanjing; Qian, Guodong","A lanthanide metal–organic framework containing a hydrazine group for highly sensitive luminescent sensing of formaldehyde gas","CrystEngComm","2024","26","28","3844","3850","10.1039/D4CE00406J","","","1.54178","CuKα","","0.0728","0.0693","","","0.1838","0.187","","","","","","1.071","","","","has coordinates","293786","2024-08-05","18:25:18",""
"7248842","9.522","0.0002","19.4852","0.0005","10.4691","0.0002","90","","103.704","0.001","90","","1887.12","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N11 O Zn -","- C18 H15 N11 O Zn -","- C72 H60 N44 O4 Zn4 -","4","1","","Wu, Jia-Xuan; Mo, Yi-Hong; Lin, Xian; Zhou, Bing-Xun; Cai, Song-Liang; Fan, Jun; Xie, Mu-Biao; Zheng, Sheng-Run","A luminescent Zn(ii) coordination polymer based on a new tetrazolyl–benzimidazolyl tripodal heterotopic ligand for detecting acetone and triethylamine in water","CrystEngComm","2024","26","27","3736","3743","10.1039/D4CE00445K","","","1.54178","CuKα","","0.0758","0.0723","","","0.1866","0.1926","","","","","","1.104","","","","has coordinates","293792","2024-08-05","18:26:35",""
"7248843","9.5474","0.0005","20.9047","0.001","12.6813","0.0008","90","","92.922","0.005","90","","2527.7","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 N2 O6 Pr -","- C62 H51 N2 O6 Pr -","- C124 H102 N4 O12 Pr2 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Congli; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescence and nonlinear optical properties","CrystEngComm","2024","26","28","3867","3873","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0384","0.0284","","","0.0312","0.0319","","","","","","0.894","","","","has coordinates","293790","2024-08-05","18:26:10",""
"7248844","9.5036","0.0004","20.7058","0.0008","12.7856","0.0009","90","","92.003","0.005","90","","2514.4","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C62 H51 Ho N2 O6 -","- C62 H51 Ho N2 O6 -","- C124 H102 Ho2 N4 O12 -","2","1","","Peng, Yanhong; Wang, Taoyu; Gao, Congli; Li, Fengcai; Li, Xi-Li","Two chiral lanthanide PrIII and HoIII complexes: NIR luminescence and nonlinear optical properties","CrystEngComm","2024","26","28","3867","3873","10.1039/D4CE00421C","","","0.71073","MoKα","","0.0376","0.0288","","","0.0432","0.044","","","","","","1.024","","","","has coordinates","293790","2024-08-05","18:26:11",""
"7248845","7.5146","0.0003","10.6915","0.0005","12.0434","0.0005","103.512","0.002","103.72","0.002","106.57","0.002","852.48","0.07","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","- C32 H20 Cl4 F6 N4 Ni S2 -","1","0.5","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0336","0.0276","","","0.0637","0.0655","","","","","","1.0287","","","","has coordinates","293795","2024-08-05","18:27:19",""
"7248846","9.2339","0.0004","13.5275","0.0007","14.9019","0.0008","105.866","0.002","107.532","0.002","94.354","0.002","1681.72","0.15","105","","105","","","","","","","","","8","P -1","-P 1","2","","TNS ZnCN4","","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C31 H20 Cl2 F6 N4 O S2 Zn -","- C62 H40 Cl4 F12 N8 O2 S4 Zn2 -","2","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0669","0.0431","","","0.0827","0.0936","","","","","","1.02","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248847","10.201","0.0005","11.0689","0.0011","11.4836","0.0012","115.214","0.002","97.954","0.002","104.048","0.002","1094","0.17","105","","105","","","","","","","","","7","P 1","P 1","1","","JL-005c","","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","- C46 H26 Cl2 F9 Fe N6 S3 -","1","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0404","0.0316","","","0.0669","0.071","","","","","","1.037","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248848","38.63","0.005","14.822","0.002","18.028","0.002","90","","101.077","0.004","90","","10130","2","105","","105","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H24 F9 N8 S3 W -","- C47 H24 F9 N8 S3 W -","- C376 H192 F72 N64 S24 W8 -","8","1","","Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa M.; Frontera, Antonio; Malischewski, Moritz","Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors","CrystEngComm","2024","26","27","3627","3633","10.1039/D4CE00454J","","","0.71073","MoKα","","0.0396","0.027","","","0.0613","0.0652","","","","","","1.04","","","","has coordinates","293795","2024-08-05","18:27:21",""
"7248867","7.0554","0.0004","7.0554","0.0004","5.3478","0.0003","90","","90","","120","","230.54","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.19I0.81","","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","- C6 H13 Br0.19 I0.81 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0141","0.0141","","","0.0353","0.0353","","","","","","1.097","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248868","6.9445","0.0009","6.9445","0.0009","5.3334","0.0005","90","","90","","120","","222.75","0.05","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.27I0.73","","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","- C6 H13 Br0.27 I0.73 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0263","0.0263","","","0.0667","0.0667","","","","","","1.081","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248869","6.8337","0.0005","6.8337","0.0005","5.3349","0.0003","90","","90","","120","","215.76","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.64I0.36","","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","- C6 H13 Br0.64 I0.36 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0533","0.0525","","","0.1272","0.1275","","","","","","1.077","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248870","6.8015","0.0006","6.8015","0.0006","5.3298","0.0004","90","","90","","120","","213.53","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.74I0.26","","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","- C6 H13 Br0.74 I0.26 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0436","0.0436","","","0.1136","0.1136","","","","","","1.206","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248871","6.7014","0.0005","6.7014","0.0005","5.3164","0.0003","90","","90","","120","","206.77","0.02","112","","112","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20_112K","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0313","0.0313","","","0.0715","0.0715","","","","","","1.141","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248872","6.6645","0.0005","6.6645","0.0005","5.3238","0.0004","90","","90","","120","","204.78","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHCl0.03Br0.97","","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","- C6 H13 Br0.97 Cl0.03 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0351","0.0333","","","0.0842","0.0846","","","","","","1.161","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248873","6.7541","0.0006","6.7541","0.0006","5.3383","0.0004","90","","90","","120","","210.9","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.80I0.20","","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","- C6 H13 Br0.8 I0.2 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0394","0.0389","","","0.093","0.0933","","","","","","1.114","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248874","6.6793","0.0006","6.6793","0.0006","5.3178","0.0005","90","","90","","120","","205.46","0.03","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.95I0.05","","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","- C6 H13 Br0.95 I0.05 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0327","0.0314","","","0.0717","0.0723","","","","","","1.08","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248875","6.6949","0.0004","6.6949","0.0004","5.3265","0.0004","90","","90","","120","","206.76","0.02","298","","298","","","","","","","","","5","P -6 m 2","P -6 2","187","","dabcoHBr0.90I0.10","","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","- C6 H13 Br0.9 I0.1 N2 -","1","0.0833333","","Ohishi, Yuki; Sambe, Kohei; Dekura, Shun; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Effect of halide solid solution on the structure, phase transition behaviour and dielectric properties of dabcoH+ chains","CrystEngComm","2024","26","26","3468","3474","10.1039/D4CE00310A","","x-ray","0.71073","MoKα","","0.0155","0.0155","","","0.0427","0.0427","","","","","","1.24","","","","has coordinates,has disorder","292951","2024-07-05","15:22:23",""
"7248876","19.924","0.008","4.4267","0.0018","20.419","0.008","90","","113.293","0.009","90","","1654.1","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 I2 N4 O2 -","- C13 H8 F4 I2 N4 O2 -","- C52 H32 F16 I8 N16 O8 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.0453","0.0306","","","0.0676","0.0748","","","","","","1.021","","","","has coordinates","293799","2024-08-05","18:28:47",""
"7248877","4.0269","0.0018","7.451","0.003","20.66","0.009","82.022","0.008","88.669","0.008","80.671","0.009","605.8","0.5","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","- C20 H16 F4 I2 N8 O4 -","1","0.5","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","x-ray","0.71073","MoKα","","0.085","0.0529","","","0.1238","0.141","","","","","","1.008","","","","has coordinates","293799","2024-08-05","18:28:48",""
"7248878","21.904","0.018","4.044","0.004","25.87","0.02","90","","110.9","0.02","90","","2141","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 F2 I N8 O4 -","- C19 H20 F2 I N8 O4 -","- C76 H80 F8 I4 N32 O16 -","4","1","","Benito, Mónica; Núñez, Rosario; Sinha, Sohini; Roscini, Claudio; Hidalgo-Rosa, Yoan; Schott, Eduardo; Zarate, Ximena; Molins, Elies","Methylxanthines for halogen bonded cocrystals with 1,4-diiodotetrafluorobenzene: green synthesis, structure, photophysics and DFT studies","CrystEngComm","2024","26","27","3672","3686","10.1039/D4CE00138A","","","0.71073","MoKα","","0.1566","0.0715","","","0.1398","0.1686","","","","","","0.97","","","","has coordinates","293799","2024-08-05","18:28:48",""
"7248879","13.7978","0.0007","14.4468","0.0008","16.7912","0.0009","77.112","0.002","80.384","0.002","67.4","0.002","2999.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64.85 H54.65 N6.95 O16.95 Zn2 -","- C65.135 H55.315 N7.045 O17.045 Zn2 -","- C130.27 H110.63 N14.09 O34.09 Zn4 -","2","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","26","27","3665","3671","10.1039/D4CE00332B","","","0.71073","MoKα","","0.0856","0.0541","","","0.1382","0.1609","","","","","","1.068","","","","has coordinates,has disorder","293797","2024-08-05","18:27:48",""
"7248880","48.175","0.003","21.8096","0.0012","16.2927","0.001","90","","101.066","0.002","90","","16800.1","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H58 Co3 N8 O21 -","- C65 H58 Co3 N8 O21 -","- C520 H464 Co24 N64 O168 -","8","1","","Mbonzhe, Luccile; Mushango, Lufuno; Chatterjee, Nabanita; Loots, Leigh; Oliver, Clive L.; Batisai, Eustina","Three-dimensional metal–organic frameworks (MOFs) containing substituted diimide ligands: synthesis, structures and gas sorption studies","CrystEngComm","2024","26","27","3665","3671","10.1039/D4CE00332B","","","0.71073","MoKα","","0.1042","0.0788","","","0.2487","0.2768","","","","","","1.065","","","","has coordinates","293797","2024-08-05","18:27:49",""
"7248881","6.98","0.0014","9.04","0.0018","10.34","0.002","83.62","0.03","81.85","0.03","77.85","0.03","629.2","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H13 N2 O4 P -","- C12 H13 N2 O4 P -","- C24 H26 N4 O8 P2 -","2","1","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0453","0.0399","","","0.1037","0.1072","","","","","","1.055","","","","has coordinates","292949","2024-07-05","15:21:56",""
"7248882","12.803","0.003","16.333","0.003","14.884","0.003","90","","112.62","0.03","90","","2873","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Co F4 N8 O4 -","- C28 H22 B Co F4 N8 O4 -","- C112 H88 B4 Co4 F16 N32 O16 -","4","1","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0787","0.055","","","0.1382","0.1538","","","","","","1.02","","","","has coordinates","292949","2024-07-05","15:21:56",""
"7248883","20.379","0.004","20.997","0.004","20.579","0.004","90","","92.08","0.03","90","","8800","3","100","2","100","2","","","","","","","","8","I 1 2 1","I 2y","5","","","","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C154 H138 B6 Co5 F24 N24 O16 P4 -","- C308 H276 B12 Co10 F48 N48 O32 P8 -","2","0.5","","Ward, Jas S.; Kruger, Paul E.","A pentametallic Co5L4 architecture constructed from bis-substituted phosphate-based ligands","CrystEngComm","2024","26","26","3459","3462","10.1039/D4CE00468J","","","0.71073","Synchrotron","","0.0652","0.0613","","","0.1604","0.1645","","","","","","1.027","","","","has coordinates,has disorder","292949","2024-07-05","15:21:57",""
"7248884","12.371","0.008","13.385","0.007","17.69","0.002","93.64","0.01","105.06","0.02","91.16","0.01","2821","2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H64 Cl2 N10 O13 -","- C53 H64 Cl2 N10 O13 -","- C106 H128 Cl4 N20 O26 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Polymorphism, phase transition, and physicochemical property investigation of Ensifentrine","CrystEngComm","2024","26","28","3783","3790","10.1039/D4CE00410H","","","0.71073","MoKα","","0.1833","0.0751","","","0.1888","0.2536","","","","","","1.11","","","","has coordinates","293788","2024-08-05","18:25:43",""
"7248888","10.7947","0.0006","13.2243","0.0009","18.4212","0.0011","90","","90","","90","","2629.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O18 Sc2 -","- C17 H29 N3 O18 Sc2 -","- C68 H116 N12 O72 Sc8 -","4","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","26","26","3463","3467","10.1039/D4CE00542B","","x-ray","0.71073","MoKα","","0.0657","0.0434","","","0.1027","0.1137","","","","","","1.062","","","","has coordinates","292950","2024-07-05","15:22:10",""
"7248889","8.4592","0.0005","16.8623","0.0005","8.8757","0.0004","90","","99.942","0.005","90","","1247.03","0.1","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H25 In2 N3 O16 -","- C17 H25 In2 N3 O16 -","- C34 H50 In4 N6 O32 -","2","1","","Guo, Shuxian; Liu, Sihan; Wen, Xuemei; Cheng, Juan; Wang, Xin; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Solvent-free synthesis and optical properties of two open-framework metal oxalates with zeolitic ABW and diamondoid topologies","CrystEngComm","2024","26","26","3463","3467","10.1039/D4CE00542B","","","0.71073","MoKα","","0.0198","0.0188","","","0.0463","0.0466","","","","","","1.044","","","","has coordinates","292950","2024-07-05","15:22:10",""
"7248890","13.4041","0.0002","14.4617","0.0002","18.2115","0.0003","73.8223","0.0013","87.3313","0.0013","87.7248","0.0012","3385.45","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Tb -","- C36 H68 Eu N31 O49 Tb -","- C72 H136 Eu2 N62 O98 Tb2 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","x-ray","0.71073","MoKα","","0.0335","0.0263","","","0.0567","0.0603","","","","","","1.03","","","","has coordinates,has disorder","293782","2024-08-05","18:24:09",""
"7248891","13.409","0.0005","14.4887","0.0005","18.21","0.0008","73.8529","0.0014","87.2751","0.0014","87.7447","0.0012","3393.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C36 H68 Eu1.4 Ho0.6 N31 O49 -","- C72 H136 Eu2.8 Ho1.2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.1019","0.0569","","","0.1165","0.1369","","","","","","1.163","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248892","14.4113","0.0006","13.6182","0.0007","18.047","0.0009","90","","105.589","0.0016","90","","3411.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 Nd O49 -","- C36 H68 Eu N31 Nd O49 -","- C72 H136 Eu2 N62 Nd2 O98 -","2","0.5","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0455","0.0408","","","0.1128","0.1173","","","","","","1.118","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248893","14.42","0.0005","13.589","0.0004","17.9538","0.0006","90","","105.683","0.0013","90","","3387.14","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","0.5","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0425","0.0295","","","0.0675","0.0714","","","","","","1.03","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248894","13.4267","0.0003","14.4721","0.0004","18.2429","0.0004","73.8016","0.001","87.3486","0.001","87.8007","0.0011","3399.26","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu Gd N31 O49 -","- C36 H68 Eu Gd N31 O49 -","- C72 H136 Eu2 Gd2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0516","0.0453","","","0.101","0.1035","","","","","","1.203","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248895","13.4214","0.0005","14.4818","0.0006","18.2079","0.0007","73.8732","0.0013","87.4439","0.0013","87.9242","0.0012","3395.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Dy Eu N31 O49 -","- C36 H68 Dy Eu N31 O49 -","- C72 H136 Dy2 Eu2 N62 O98 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.0735","0.0613","","","0.149","0.1558","","","","","","1.031","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248896","13.4418","0.0004","14.4661","0.0004","18.2775","0.0006","73.8147","0.001","87.3845","0.0011","87.814","0.0009","3408.45","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H68 Eu N31 O49 Sm -","- C36 H68 Eu N31 O49 Sm -","- C72 H136 Eu2 N62 O98 Sm2 -","2","1","","Rakhmanova, Mariana; Sukhikh, Taisiya; Kovalenko, Ekaterina","Highly tunable emission properties of solid-state supramolecular compounds based on Eu mixed-lanthanide complexes and cucurbit[6]uril","CrystEngComm","2024","26","29","3954","3963","10.1039/D4CE00375F","","","0.71073","MoKα","","0.059","0.047","","","0.1221","0.1281","","","","","","1.063","","","","has coordinates,has disorder","293782","2024-08-05","18:24:10",""
"7248898","21.2717","0.0005","16.4895","0.0003","26.0856","0.0007","90","","113.723","0.003","90","","8376.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C93 H75 Dy2 N3 O15 -","- C93 H75 Dy2 N3 O15 -","- C372 H300 Dy8 N12 O60 -","4","1","","Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing","Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions","CrystEngComm","2024","26","30","4057","4072","10.1039/D4CE00556B","","","1.54184","CuKα","","0.0838","0.0603","","","0.159","0.1756","","","","","","1.092","","","","has coordinates,has disorder","293805","2024-08-05","18:30:29",""
"7248899","40.69949","0.00012","18.17532","0.00006","25.71644","0.00009","90","","100.858","0.0003","90","","18682.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C204 H195 Dy4 N9 O36 -","- C204 H195 Dy4 N9 O36 -","- C816 H780 Dy16 N36 O144 -","4","1","","Gou, Yangyang; Gao, Ming; Wu, Yunlong; Zhou, Wei; Feng, Jiancheng; Zhang, Sheng; Wang, Xiaohong; Yin, Bing","Construction of porous 2D Dy3+ metal organic frameworks: solvent responsive magnetic dynamics under 0 Oe dc field and luminescent sensors for Fe3+ ions","CrystEngComm","2024","26","30","4057","4072","10.1039/D4CE00556B","","","1.54184","CuKα","","0.0348","0.0321","","","0.097","0.0986","","","","","","1.162","","","","has coordinates,has disorder","293805","2024-08-05","18:30:30",""
"7248900","27.3822","0.0006","5.36939","0.00011","25.8726","0.0006","90","","102.224","0.002","90","","3717.69","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl2 Hg N6 O5 S3 -","- C24 H34 Cl2 Hg N6 O5 S3 -","- C96 H136 Cl8 Hg4 N24 O20 S12 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.041","0.0296","","","0.0589","0.0632","","","","","","1.033","","","","has coordinates,has disorder","293804","2024-08-05","18:30:13",""
"7248901","5.55696","0.00009","33.2718","0.0006","22.0194","0.0005","90","","94.9947","0.0015","90","","4055.71","0.14","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Hg I2 N6 O6 S4 -","- C26 H40 Hg I2 N6 O6 S4 -","- C104 H160 Hg4 I8 N24 O24 S16 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.0659","0.0585","","","0.1282","0.1315","","","","","","1.135","","","","has coordinates","293804","2024-08-05","18:30:14",""
"7248902","27.8834","0.0012","5.3776","0.0002","26.0063","0.0011","90","","103.308","0.004","90","","3794.8","0.3","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Br2 Hg N6 O5 S3 -","- C24 H34 Br2 Hg N6 O5 S3 -","- C96 H136 Br8 Hg4 N24 O20 S12 -","4","1","","Khorshidi, Ghazale; Notash, Behrouz; Kubicki, Maciej","Reversible anion-dependent iodine uptake in nonporous pseudopolymorphic coordination polymers","CrystEngComm","2024","26","30","4082","4097","10.1039/D4CE00402G","","x-ray","0.71073","MoKα","","0.0499","0.0378","","","0.0894","0.096","","","","","","1.04","","","","has coordinates,has disorder","293804","2024-08-05","18:30:14",""
"7248903","22.9","0.005","12.187","0.002","52.643","0.011","90","","98.41","0.03","90","","14534","5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C135 H168 Cl10 Fe2 N4 O14 -","- C135 H168 Cl10 Fe2 N4 O14 -","- C540 H672 Cl40 Fe8 N16 O56 -","4","1","","Strelnikova, Iuliia V.; Shutilov, Ilya D.; Ovsyannikov, Alexander S.; Islamov, Daut R.; Pyataev, Andrew V.; Gerasimova, Tatiana P.; Khamatgalimov, Ayrat R.; Khrizanforov, Mikhail N.; Gubaidullin, Aidar T.; Burilov, Vladimir A.; Solovieva, Svetlana E.; Antipin, Igor S.","Elucidating the role of the o-methoxy group in the lower rim appended salicylideneamine substituents of calix[4]arene ligands on the molecular and electronic structures of dinuclear Fe(iii)-based diamond-core complexes","CrystEngComm","2024","26","29","3973","3988","10.1039/D4CE00347K","","","0.7454","synchrotron","","0.2338","0.1214","","","0.3118","0.3953","","","","","","1.059","","","","has coordinates,has disorder","293781","2024-08-05","18:23:38",""
"7248905","10.4643","0.0011","10.4975","0.0011","13.6002","0.0014","98.159","0.003","104.074","0.003","111.527","0.003","1303.1","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H15 Cs3 N12 O15 -","- C12 H15 Cs3 N12 O15 -","- C24 H30 Cs6 N24 O30 -","2","1","","Wang, Xinyue; Wang, Dandan; Liu, Yujie; Wang, Jinhui","Alkali-metal isocyanurate Cs3(H2C3N3O3)3(H3C3N3O3)·3H2O: synthesis and characterization","CrystEngComm","2024","26","29","3948","3953","10.1039/D4CE00497C","","","0.71073","MoKα","","0.0837","0.0402","","","0.0563","0.0692","","","","","","1.046","","","","has coordinates","293779","2024-08-05","18:23:14",""
"7248906","10.1","0.015","13.66","0.02","17.31","0.03","101.538","0.019","93.524","0.019","102.071","0.019","2275","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H28 Cd2 N8 O9 -","- C41 H28 Cd2 N8 O9 -","- C82 H56 Cd4 N16 O18 -","2","1","","Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiao-Yan; Ma, Yun-Sheng; Yin, Wen-Yu; Cheng, Hong-Jian","Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(ii) metal–organic frameworks","CrystEngComm","2024","26","30","4048","4056","10.1039/D4CE00469H","","","0.71073","MoKα","","0.0592","0.0387","","","0.103","0.1263","","","","","","1.088","","","","has coordinates,has disorder","293802","2024-08-05","18:29:50",""
"7248907","13.257","0.002","13.927","0.003","15.53","0.003","63.623","0.003","83.819","0.003","81.009","0.003","2534.9","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H84 Cd4 N17 O23 -","- C108 H84 Cd4 N17 O23 -","- C108 H84 Cd4 N17 O23 -","1","0.5","","Wu, Ye-Feng; Cheng, Jia-Jun; Jiang, Tao; Ma, Yu-Chen; Kou, Jia-Lei; Cheng, Guo-Feng; Hu, Xiu-Li; Tang, Xiao-Yan; Ma, Yun-Sheng; Yin, Wen-Yu; Cheng, Hong-Jian","Multiresponsive luminescent sensing behaviour of a tetraimidazole ligand and its 3D Cd(ii) metal–organic frameworks","CrystEngComm","2024","26","30","4048","4056","10.1039/D4CE00469H","","","0.71073","MoKα","","0.0695","0.059","","","0.1649","0.2027","","","","","","1.015","","","","has coordinates","293802","2024-08-05","18:29:50",""
"7248908","9.5381","0.0001","11.076","0.0001","18.5558","0.0002","97.365","0.001","102.275","0.001","93.924","0.001","1890.41","0.03","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50 H42 O2 -","- C50 H42 O2 -","- C100 H84 O4 -","2","1","","Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko","Comprehensive analysis of C–H⋯π(alkyne) interactions in the crystal packing of diastereomers of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene","CrystEngComm","2024","26","29","3964","3972","10.1039/D4CE00495G","","x-ray","1.54184","CuKα","","0.0415","0.038","","","0.1001","0.1026","","","","","","1.076","","","","has coordinates","293784","2024-08-05","18:24:46",""
"7248909","13.4062","0.0001","13.48","0.0001","20.5669","0.0002","90","","90","","90","","3716.76","0.05","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C50 H42 O2 -","- C50 H42 O2 -","- C200 H168 O8 -","4","1","","Nakamura, Minami; Kashiwagi, Yukiyasu; Morisue, Mitsuhiko","Comprehensive analysis of C–H⋯π(alkyne) interactions in the crystal packing of diastereomers of 1,2-di(7′-methoxynaphth-1′-yl)-3,6-di(4′′-n-propylphenylethynyl)benzene","CrystEngComm","2024","26","29","3964","3972","10.1039/D4CE00495G","","x-ray","1.54184","CuKα","","0.0317","0.0296","","","0.0732","0.0746","","","","","","1.06","","","","has coordinates","293784","2024-08-05","18:24:46",""
"7248921","10.3636","0.0017","11.0274","0.0016","11.175","0.0017","85.893","0.005","76.937","0.005","63.663","0.005","1114.3","0.3","304","","304","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O12 Tb -","- C12 H12 O12 Tb -","- C24 H24 O24 Tb2 -","2","1","","Yang, Shun-Yi; Zhang, Qian; Zhang, Yang-Lu; Tan, Tie-Shen; Zhu, Junlun; Yang, Xiaodong; Shi, Le; Yang, Jiong; Shao, Dong","Highly proton-conducting lanthanide metal–organic frameworks featuring highly oxygenated ligands with slow magnetic relaxation or magnetocaloric effect","CrystEngComm","2024","26","31","4181","4189","10.1039/D4CE00501E","","","0.71073","MoKα","","0.0204","0.0184","","","0.0443","0.0448","","","","","","1.084","","","","has coordinates","294521","2024-09-06","00:17:18",""
"7248922","10.766","0.004","11.043","0.003","11.24","0.004","89.621","0.014","80.36","0.02","64.452","0.014","1185.4","0.7","306","","306","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 Gd2 O24 -","- C24 H24 Gd2 O24 -","- C24 H24 Gd2 O24 -","1","0.5","","Yang, Shun-Yi; Zhang, Qian; Zhang, Yang-Lu; Tan, Tie-Shen; Zhu, Junlun; Yang, Xiaodong; Shi, Le; Yang, Jiong; Shao, Dong","Highly proton-conducting lanthanide metal–organic frameworks featuring highly oxygenated ligands with slow magnetic relaxation or magnetocaloric effect","CrystEngComm","2024","26","31","4181","4189","10.1039/D4CE00501E","","","0.71073","MoKα","","0.0284","0.0275","","","0.0681","0.0685","","","","","","1.114","","","","has coordinates","294521","2024-09-06","00:17:18",""
"7248923","26.8255","0.0016","9.3424","0.0006","13.8939","0.0008","90","","93.608","0.002","90","","3475.1","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H32 N14 O7 Pb2 -","- C29 H32 N14 O7 Pb2 -","- C116 H128 N56 O28 Pb8 -","4","0.5","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Labisbal, Elena; Castiñeiras, Alfonso; Alizadeh, Vali; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","A lead(ii)–N′-isonicotinoylpyrazine-2-carbohydrazonamide complex system as a converter of aerial carbon dioxide to carbonate under electrochemical conditions with the formation of a single-component white light-emitting phosphor","CrystEngComm","2024","26","31","4205","4213","10.1039/D4CE00562G","","","0.71073","MoKα","","0.0164","0.0143","","","0.0344","0.0353","","","","","","1.062","","","","has coordinates","294524","2024-09-06","00:17:43",""
"7248924","6.8963","0.0002","10.2829","0.0003","12.8595","0.0004","76.412","0.003","83.264","0.002","70.536","0.003","834.98","0.05","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 Br N -","- C20 H18 Br N -","- C40 H36 Br2 N2 -","2","1","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.082","0.0852","","","","","","1.192","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248925","9.6895","0.0003","9.7559","0.0004","10.9467","0.0003","97.487","0.003","105.034","0.003","118.199","0.004","840.99","0.07","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Br2 N2 O2 -","- C40 H40 Br2 N2 O2 -","- C40 H40 Br2 N2 O2 -","1","0.5","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.0415","0.034","","","0.0719","0.0741","","","","","","1.056","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248926","12.1902","0.0004","15.9154","0.0005","18.7119","0.0007","69.469","0.003","73.203","0.003","89.616","0.003","3236.5","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H41 Br2 N2 O1.5 -","- C38 H41 Br2 N2 O1.5 -","- C152 H164 Br8 N8 O6 -","4","2","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.096","0.0615","","","0.1386","0.1566","","","","","","1.039","","","","has coordinates","293791","2024-08-05","18:26:23",""
"7248927","12.277","0.0005","16.0596","0.0007","18.7305","0.0015","68.905","0.006","71.723","0.006","89.945","0.003","3245.5","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H82 Br4 N4 O3 -","- C76 H82 Br4 N4 O3 -","- C152 H164 Br8 N8 O6 -","2","1","","Kusumoto, Sotaro; Wakabayashi, Kaede; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient effect and photodimerization of mono- and dicationic organic salts incorporated in 4-styrylpyridine","CrystEngComm","2024","26","28","3791","3794","10.1039/D4CE00538D","","","0.71073","MoKα","","0.1732","0.0939","","","0.202","0.241","","","","","","1.054","","","","has coordinates,has disorder","293791","2024-08-05","18:26:23",""
"7248931","4.9752","0.0006","15.7038","0.0018","7.0385","0.001","90","","107.756","0.004","90","","523.72","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C H5 N7 -","- C H5 N7 -","- C4 H20 N28 -","4","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0453","0.0341","","","0.0805","0.0855","","","","","","1.09","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248932","4.8465","0.0004","9.6906","0.0007","16.5974","0.0012","90","","92.765","0.002","90","","778.6","0.1","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N8 O -","- C3 H8 N8 O -","- C12 H32 N32 O4 -","4","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0573","0.0404","","","0.0929","0.1013","","","","","","1.04","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248933","6.45","0.005","12.008","0.01","12.141","0.011","90","","102.19","0.03","90","","919.1","1.3","273.15","","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C12 H32 N40 O4 -","4","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.141","0.0625","","","0.112","0.1341","","","","","","1.034","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248934","3.9161","0.0005","9.7152","0.0011","12.5718","0.0014","84.813","0.003","86.135","0.004","83.993","0.004","472.92","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H9 N7 -","- C7 H9 N7 -","- C14 H18 N14 -","2","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0969","0.0547","","","0.1222","0.1373","","","","","","1.043","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248935","5.2112","0.0015","7.849","0.002","7.88","0.003","78.116","0.009","76.103","0.01","73.73","0.009","297.01","0.16","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C2 H6 N6 O2 -","- C2 H6 N6 O2 -","- C4 H12 N12 O4 -","2","1","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0346","0.0315","","","0.0833","0.0855","","","","","","1.08","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248936","13.629","0.001","6.5997","0.0006","7.4672","0.0005","90","","90","","90","","671.65","0.09","273.15","","273.15","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C2 H7 N7 -","- C2 H7 N7 -","- C8 H28 N28 -","4","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0687","0.0444","","","0.1078","0.123","","","","","","1.0424","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248937","7.0037","0.0015","7.0175","0.0015","7.7191","0.0016","90","","96.937","0.007","90","","376.6","0.14","273.15","","273.15","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C4 H9 N7 -","- C4 H9 N7 -","- C8 H18 N14 -","2","0.5","","Wang, Pengfei; Liu, Lile; Sun, Zebang; Qin, Feng; Shi, Lei; Gao, Chao; Du, Yang; Zhang, Chong; Hu, Bingcheng; Sun, Chengguo","Constructing layered structure amidine-based pentazolate salts with low sensitivity","CrystEngComm","2024","26","30","4114","4120","10.1039/D4CE00521J","","","0.71073","MoKα","","0.0881","0.058","","","0.1201","0.1406","","","","","","1.0564","","","","has coordinates","293801","2024-08-05","18:29:39",""
"7248938","10.4752","0.0015","10.9876","0.0015","14.3813","0.0019","110.378","0.004","107.663","0.004","92.224","0.005","1459","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Ag3 Br5 Cu2 N4 O2 -","- C24 H16 Ag3 Br5 Cu2 N4 O2 -","- C48 H32 Ag6 Br10 Cu4 N8 O4 -","2","1","","Tian, Yiming; Ren, Taohong; Zhu, Hongjin; Jia, Dingxian","Bromoargentate/g-C3N4 heterojunction by in situ growth: 2-D bromoargentate framework with a transition metal complex linker and cocatalyst for enhanced photocatalytic activity via g-C3N4 hybrid","CrystEngComm","2024","26","29","3911","3919","10.1039/D4CE00510D","","","0.71073","MoKα","","0.0654","0.0482","","","0.1311","0.1428","","","","","","1.093","","","","has coordinates","293780","2024-08-05","18:23:22",""
"7248939","14.9709","0.0002","16.1263","0.0002","19.5465","0.0002","94.167","0.001","92.28","0.001","94.475","0.001","4687.29","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C106.83 H87.83 Cl2.49 N5 O16 S4 -","- C106.83 H87.83 Cl2.49 N5 O16 S4 -","- C213.66 H175.66 Cl4.98 N10 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.0617","0.0552","","","0.1463","0.1515","","","","","","1.036","","","","has coordinates,has disorder","293783","2024-08-05","18:24:36",""
"7248940","15.8232","0.0003","17.3859","0.0004","18.8448","0.0004","98.147","0.002","101.223","0.002","100.842","0.002","4908","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C115.9 H97.6 N4 O16 S4 -","- C115.9 H97.6 N4 O16 S4 -","- C231.8 H195.2 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.1029","0.0652","","","0.1691","0.1906","","","","","","1.011","","","","has coordinates,has disorder","293783","2024-08-05","18:24:36",""
"7248941","13.5849","0.0014","18.286","0.002","18.8373","0.0016","76.759","0.009","71.398","0.009","83.702","0.009","4313.7","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H84 N4 O16 S4 -","- C104 H84 N4 O16 S4 -","- C208 H168 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.3457","0.1022","","","0.1385","0.2012","","","","","","0.981","","","","has coordinates","293783","2024-08-05","18:24:36",""
"7248942","14.8576","0.0002","16.0928","0.0002","19.4965","0.0003","93.281","0.001","91.735","0.001","96.104","0.001","4624.49","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C104.74 H84.74 Cl2.22 N4 O16 S4 -","- C104.74 H84.74 Cl2.22 N4 O16 S4 -","- C209.48 H169.48 Cl4.44 N8 O32 S8 -","2","1","","Losus, Renny Maria; Sitdikov, Ruzal; Stoikov, Ivan; Dobrzańska, Liliana","Structural diversity of anthraquinone substituted p-tert-butylthiacalix[4]arene in the partial cone conformation upon external stimuli","CrystEngComm","2024","26","29","3929","3936","10.1039/D4CE00387J","","","1.54184","CuKα","","0.0576","0.0518","","","0.1395","0.1437","","","","","","1.042","","","","has coordinates,has disorder","293783","2024-08-05","18:24:37",""
"7248946","11.3018","0.0005","13.3845","0.0006","14.5613","0.0004","96.292","0.003","99.214","0.003","107.796","0.004","2040.55","0.15","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H26 F9 N10 O9 S3 Yb -","- C25 H26 F9 N10 O9 S3 Yb -","- C50 H52 F18 N20 O18 S6 Yb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0619","0.0558","","","0.1592","0.1628","","","","","","1.305","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248947","10.8093","0.0005","17.0375","0.0005","19.6847","0.0005","90","","90","","90","","3625.2","0.2","100","1","100","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 O9 S3 Sm -","- C25 H26 F9 N10 O9 S3 Sm -","- C100 H104 F36 N40 O36 S12 Sm4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0253","0.025","","","0.066","0.0661","","","","","","1.045","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248948","10.9258","0.0003","17.1974","0.0004","19.8714","0.0006","90","","90","","90","","3733.74","0.18","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 O9 Pr S3 -","- C25 H26 F9 N10 O9 Pr S3 -","- C100 H104 F36 N40 O36 Pr4 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0434","0.0314","","","0.077","0.082","","","","","","1.035","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248949","10.9423","0.0002","17.2695","0.0004","19.9168","0.0004","90","","90","","90","","3763.64","0.13","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 La N10 O9 S3 -","- C25 H26 F9 La N10 O9 S3 -","- C100 H104 F36 La4 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.54178","CuKα","","0.0516","0.0457","","","0.1218","0.128","","","","","","1.054","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248950","10.8953","0.0002","17.106","0.0003","19.8121","0.0005","90","","90","","90","","3692.48","0.13","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 Eu F9 N10 O9 S3 -","- C25 H26 Eu F9 N10 O9 S3 -","- C100 H104 Eu4 F36 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0286","0.0257","","","0.0659","0.068","","","","","","1.038","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248951","8.3705","0.0007","9.3039","0.0007","12.7182","0.0009","102.222","0.006","103.692","0.007","102.763","0.006","901.39","0.13","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C11 H15 Er N8 O10 -","- C11 H15 Er N8 O10 -","- C22 H30 Er2 N16 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0648","0.0572","","","0.1485","0.1539","","","","","","1.234","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248952","8.1752","0.0005","11.5352","0.0009","13.1045","0.001","66.989","0.007","72.978","0.006","85.535","0.005","1086.69","0.15","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 O10 Yb -","- C14 H20 N9 O10 Yb -","- C28 H40 N18 O20 Yb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.058","0.049","","","0.1587","0.1615","","","","","","1.39","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248953","10.9002","0.0006","17.0907","0.0012","19.8139","0.0008","90","","90","","90","","3691.2","0.4","295","2","295","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 Gd N10 O9 S3 -","- C25 H26 F9 Gd N10 O9 S3 -","- C100 H104 F36 Gd4 N40 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0652","0.0545","","","0.1502","0.1565","","","","","","1.069","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248954","8.2029","0.0007","10.4813","0.0009","12.4024","0.0007","97.826","0.006","96.891","0.006","100.152","0.007","1028.45","0.14","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Dy N8 O11 -","- C12 H19 Dy N8 O11 -","- C24 H38 Dy2 N16 O22 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.024","0.0214","","","0.0483","0.0494","","","","","","1.056","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248955","10.9049","0.0004","15.0238","0.0004","27.3563","0.0009","90","","100.35","0.004","90","","4408.9","0.3","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Er F9 N10 O11 S3 -","- C27 H34 Er F9 N10 O11 S3 -","- C108 H136 Er4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0754","0.0701","","","0.1698","0.1731","","","","","","1.124","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248956","8.24","0.0004","10.5276","0.0006","12.3755","0.0006","98.043","0.004","96.749","0.004","100.129","0.005","1035.23","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N8 O11 Tb -","- C12 H19 N8 O11 Tb -","- C24 H38 N16 O22 Tb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0459","0.0451","","","0.1302","0.1313","","","","","","1.085","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248957","19.0497","0.0005","10.3198","0.0002","21.3425","0.0005","90","","102.668","0.002","90","","4093.57","0.17","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F9 N11 O9 S3 Tb -","- C27 H26 F9 N11 O9 S3 Tb -","- C108 H104 F36 N44 O36 S12 Tb4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0758","0.0688","","","0.2057","0.2111","","","","","","1.446","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248958","8.2733","0.0004","11.4426","0.0007","13.5163","0.0007","109.919","0.006","106.972","0.004","93.483","0.004","1132.21","0.12","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 La N9 O10 -","- C14 H20 La N9 O10 -","- C28 H40 La2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0227","0.0218","","","0.0683","0.0691","","","","","","1.118","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248959","8.1238","0.0003","10.5711","0.0007","12.636","0.0005","99.359","0.004","97.224","0.004","100.751","0.004","1038.18","0.09","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C12.5 H19 N8 O10.5 Pr -","- C12.5 H19 N8 O10.5 Pr -","- C25 H38 N16 O21 Pr2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","0.71073","MoKα","","0.0236","0.0226","","","0.0624","0.063","","","","","","1.08","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248960","8.9742","0.0004","14.034","0.0005","15.8971","0.0006","90","","92.838","0.004","90","","1999.69","0.14","100","1","100","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27 H29 F9 N11 O9 Pr S3 -","- C27 H29 F9 N11 O9 Pr S3 -","- C54 H58 F18 N22 O18 Pr2 S6 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0394","0.0368","","","0.0866","0.0897","","","","","","1.071","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248961","8.1537","0.0003","10.4239","0.0004","12.3673","0.0003","96.71","0.003","98.034","0.003","100.381","0.004","1012.84","0.06","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 N8 O11 Sm -","- C12 H19 N8 O11 Sm -","- C24 H38 N16 O22 Sm2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0239","0.0207","","","0.0451","0.0462","","","","","","1.042","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248962","8.2808","0.0004","11.2432","0.0006","13.2986","0.0009","68.357","0.006","72.061","0.005","87.716","0.004","1091.08","0.12","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Ho N9 O10 -","- C14 H20 Ho N9 O10 -","- C28 H40 Ho2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","0.71073","MoKα","","0.0284","0.0264","","","0.0641","0.0656","","","","","","1.086","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248963","18.775","0.0007","10.2574","0.0002","21.0038","0.0006","90","","101.76","0.003","90","","3960.1","0.2","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H29 F9 Ho N11 O9 S3 -","- C27 H29 F9 Ho N11 O9 S3 -","- C108 H116 F36 Ho4 N44 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0592","0.0531","","","0.1389","0.1409","","","","","","1.967","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248964","8.395","0.0004","12.7332","0.0006","16.9061","0.0009","71.362","0.005","80.611","0.004","76.595","0.004","1657.96","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H31 N14 O13 Tm -","- C23 H31 N14 O13 Tm -","- C46 H62 N28 O26 Tm2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0607","0.0593","","","0.163","0.1643","","","","","","1.097","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248965","10.917","0.0003","14.9827","0.0003","26.8953","0.001","90","","100.184","0.003","90","","4329.9","0.2","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 Dy F9 N10 O11 S3 -","- C27 H34 Dy F9 N10 O11 S3 -","- C108 H136 Dy4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.1176","0.0867","","","0.1764","0.1831","","","","","","1.711","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248966","8.2937","0.0017","11.3355","0.0015","13.441","0.003","110.013","0.016","107.641","0.018","92.604","0.014","1115.7","0.4","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Gd N9 O10 -","- C14 H20 Gd N9 O10 -","- C28 H40 Gd2 N18 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0276","0.0239","","","0.0549","0.0561","","","","","","1.046","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248967","8.1426","0.0004","10.4679","0.0008","12.4743","0.0007","98.188","0.006","97.531","0.004","100.576","0.005","1020.95","0.11","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H19 Eu N8 O11 -","- C12 H19 Eu N8 O11 -","- C24 H38 Eu2 N16 O22 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0391","0.0353","","","0.0807","0.0828","","","","","","1.074","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248968","8.3168","0.0005","11.388","0.0006","13.4939","0.0008","110.119","0.005","107.6","0.005","92.758","0.005","1127.23","0.13","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N9 Nd O10 -","- C14 H20 N9 Nd O10 -","- C28 H40 N18 Nd2 O20 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0166","0.0156","","","0.038","0.0384","","","","","","1.083","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248969","10.7762","0.0002","17.0625","0.0002","19.6569","0.0003","90","","90","","90","","3614.29","0.1","100","1","100","1","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C25 H26 F9 N10 Nd O9 S3 -","- C25 H26 F9 N10 Nd O9 S3 -","- C100 H104 F36 N40 Nd4 O36 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.0222","0.0214","","","0.0518","0.0524","","","","","","1.059","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248970","10.9638","0.0004","15.0249","0.0007","26.8438","0.0015","90","","99.705","0.005","90","","4358.7","0.4","100","1","100","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H34 F9 N10 O11 S3 Tb -","- C27 H34 F9 N10 O11 S3 Tb -","- C108 H136 F36 N40 O44 S12 Tb4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.71073","MoKα","","0.1027","0.0963","","","0.2055","0.2088","","","","","","1.142","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248971","7.1754","0.0004","9.5801","0.0005","11.495","0.0006","74.019","0.005","71.999","0.005","73.388","0.005","704.82","0.07","130","1","130","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H18 Br N5 O -","- C12 H18 Br N5 O -","- C24 H36 Br2 N10 O2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","1.5418","CuKα","","0.0468","0.0464","","","0.1253","0.1258","","","","","","1.093","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248972","9.0968","0.0009","11.959","0.0008","17.1192","0.0012","86.084","0.006","75.282","0.007","83.71","0.007","1788.8","0.3","130","1","130","1","","","","","","","","6","P -1","-P 1","2","","","","- C24 H31 Cl3 N11 O13 Tb -","- C24 H31 Cl3 N11 O13 Tb -","- C48 H62 Cl6 N22 O26 Tb2 -","2","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.1362","0.0745","","","0.1365","0.1654","","","","","","0.877","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248973","23.9529","0.0011","11.3128","0.0004","9.2768","0.0004","90","","90","","90","","2513.78","0.18","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C15 H22 Lu N9 O10 S -","- C15 H22 Lu N9 O10 S -","- C60 H88 Lu4 N36 O40 S4 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","x-ray","1.54184","CuKα","","0.0547","0.0531","","","0.1517","0.154","","","","","","1.084","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248974","13.59487","0.00017","15.49254","0.00018","17.9886","0.0003","90","","92.7582","0.0012","90","","3784.35","0.09","100","1","100","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Eu F9 N10 O11 S3 -","- C25 H30 Eu F9 N10 O11 S3 -","- C100 H120 Eu4 F36 N40 O44 S12 -","4","1","","Prętka, Dominika; Marcinkowski, Dawid; Siwiak, Agnieszka; Kubicki, Maciej; Consiglio, Giuseppe; Patroniak, Violetta; Gorczyński, Adam","Crystal engineering of monometallic lanthanide(iii) supramolecular systems within the N3-tridentate hydrazone Schiff-base ligand","CrystEngComm","2024","26","31","4167","4180","10.1039/D4CE00450G","","","0.7107","MoKα","","0.0393","0.0269","","","0.0517","0.0553","","","","","","1.044","","","","has coordinates","294520","2024-09-06","00:17:09",""
"7248975","6.3253","0.0013","9.2032","0.0018","10.202","0.002","64.48","0.03","74.18","0.03","78.74","0.03","513.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 N3 Ni O2 -","- C7.99 H10 N2.99 Ni O2 -","- C15.98 H20 N5.98 Ni2 O4 -","2","1","","Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.","Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers","CrystEngComm","2024","26","31","4195","4204","10.1039/D4CE00459K","","","0.71073","MoKα","","0.0615","0.0347","","","0.0763","0.0848","","","","","","1.066","","","","has coordinates,has disorder","294522","2024-09-06","00:17:26",""
"7248976","5.9234","0.0005","9.5597","0.0008","10.2625","0.0008","114.847","0.003","96.831","0.003","95.811","0.003","516.16","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","C16 H16 Cu N6 Ni O2, C2 O","","- C18 H16 Cu N6 Ni O3 -","- C18 H16 Cu N6 Ni O3 -","- C18 H16 Cu N6 Ni O3 -","1","0.5","","Nguepmeni Eloundou, Valoise Brenda; Kenfack Tsobnang, Patrice; Kamgaing, Theophile; Gogoi, Chiranjib; Lopez-Salas, Nieves; Bourne, Susan A.","Crystal engineering and sorption studies on CN- and dipyridyl-bridged 2D coordination polymers","CrystEngComm","2024","26","31","4195","4204","10.1039/D4CE00459K","","","0.71073","MoKα","","0.0448","0.0327","","","0.0827","0.0882","","","","","","1.109","","","","has coordinates,has disorder","294522","2024-09-06","00:17:26",""
"7248992","37.2565","0.001","37.2565","0.001","9.6925","0.0003","90","","90","","120","","11651.2","0.6","114","2","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0524","0.0445","","","0.118","0.1241","","","","","","1.055","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248993","37.3328","0.0005","37.3328","0.0005","9.7877","0.0002","90","","90","","120","","11813.9","0.3","231","1","231","1","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0423","0.0365","","","0.0979","0.1021","","","","","","1.061","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248994","37.2454","0.0008","37.2454","0.0008","9.65133","0.00017","90","","90","","120","","11594.8","0.4","89.9","0.6","89.9","0.6","","","","","","","","4","R -3 :H","-R 3","148","","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","x-ray","1.54184","CuKα","","0.0641","0.0455","","","0.0956","0.1027","","","","","","1.02","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248995","37.4596","0.0007","37.4596","0.0007","9.8361","0.0002","90","","90","","120","","11953.1","0.4","293","1","293","1","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0462","0.0407","","","0.117","0.1229","","","","","","1.039","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248996","37.2565","0.001","37.2565","0.001","9.6925","0.0003","90","","90","","120","","11651.2","0.6","114","2","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H30 N6 O2 -","- C25 H28 N6 O1.997 -","- C450 H504 N108 O35.946 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0526","0.0436","","","0.1129","0.12","","","","","","1.05","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248997","37.2303","0.0004","37.2303","0.0004","9.7085","0.0001","90","","90","","120","","11654","0.2","114","1","114","","","","","","","","","4","R -3 :H","-R 3","148","SR47436-A","","","- C25 H28 N6 O -","- C25 H28 N6 O -","- C450 H504 N108 O18 -","18","1","","Ochsenbein, Philippe; Bonin, Michel; Fadaei-Tirani, Farzaneh; Lemée, Marie-Hélène; Kieffer, Jérôme; Görl, Daniel; El-Hajji, Mohamed; Schenk-Joß, Kurt","A score and nine years of irbesartan","CrystEngComm","2024","26","34","4566","4578","10.1039/D3CE01172K","","","1.54178","CuKα","","0.0706","0.0448","","","0.0985","0.1146","","","","","","1.026","","","","has coordinates,has disorder","294533","2024-09-06","00:21:02",""
"7248998","5.8251","0.0006","15.5339","0.0018","5.9792","0.0008","90","","100.851","0.012","90","","531.36","0.11","99.98","0.1","99.98","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","perfluoroazopyridine","","- C10 F8 N4 -","- C10 F8 N4 -","- C20 F16 N8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0998","0.0517","","","0.1036","0.1206","","","","","","1.031","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7248999","7.0434","0.0004","12.8068","0.0007","16.0013","0.0009","90","","98.123","0.005","90","","1428.89","0.14","100","0.6","100","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3,5-difluoroazopyiridine adduct of phenylboronic acid catechol ester","","- C34 H22 B2 F4 N4 O4 -","- C34 H22 B2 F4 N4 O4 -","- C68 H44 B4 F8 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0755","0.0446","","","0.0997","0.1104","","","","","","0.978","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249000","5.0686","0.0006","5.1891","0.0007","18.59","0.002","90","","90.109","0.012","90","","488.94","0.1","99.9","0.7","99.9","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3,5-difluoroazopyridine","","- C10 H4 F4 N4 -","- C10 H4 F4 N4 -","- C20 H8 F8 N8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0565","0.0478","","","0.1287","0.1351","","","","","","1.107","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249001","6.8631","0.0002","13.149","0.0003","15.7054","0.0004","90","","99.615","0.003","90","","1397.39","0.06","99.9","0.6","99.9","0.6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phneylboronicacid catechol ester adduct of 4,4'-bipyridine","","- C34 H26 B2 N4 O4 -","- C34 H26 B2 N4 O4 -","- C68 H52 B4 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0669","0.0543","","","0.1366","0.1442","","","","","","1.039","","","","has coordinates,has disorder","293803","2024-08-05","18:30:02",""
"7249002","6.2144","0.0012","7.2948","0.0013","11.7785","0.0017","81.392","0.013","77.89","0.015","85.14","0.016","515.4","0.16","99.9","0.5","99.9","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C22 H9 B F8 N4 O2 -","- C22 H9 B F8 N4 O2 -","- C22 H9 B F8 N4 O2 -","1","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0827","0.0544","","","0.1403","0.1614","","","","","","1.013","","","","has coordinates,has disorder","293803","2024-08-05","18:30:02",""
"7249003","6.871","0.0003","13.0541","0.0006","15.9373","0.0007","90","","97.627","0.004","90","","1416.85","0.11","99.9","0.6","99.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-fluoroazopyridine adduct of phenylboronic acid catechol ester","","- C34 H24 B2 F2 N4 O4 -","- C34 H24 B2 F2 N4 O4 -","- C68 H48 B4 F4 N8 O8 -","2","0.5","","Loya, Jesus Daniel; Agarwal, Sidhaesh A.; Lutz, Nicholas; Reinheimer, Eric W.; Campillo-Alvarado, Gonzalo","Co-crystal formation vs. boron coordination: fluorination in azopyridines regulates supramolecular competition","CrystEngComm","2024","26","30","4017","4021","10.1039/D4CE00611A","","x-ray","0.71073","MoKα","","0.0637","0.0508","","","0.1356","0.1436","","","","","","1.049","","","","has coordinates","293803","2024-08-05","18:30:02",""
"7249004","21.2883","0.0013","7.9852","0.0004","15.3182","0.0008","90","","108.751","0.006","90","","2465.8","0.2","99.99","","99.99","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H7 Cl3 Hg N4 -","- C8 H7 Cl3 Hg N4 -","- C64 H56 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0614","0.0557","","","0.1531","0.1629","","","","","","1.12","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249005","13.1765","0.0004","10.5309","0.0004","14.9341","0.0004","90","","90","","90","","2072.26","0.12","99.97","0.1","99.97","0.1","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H5 Cl3 Hg N4 -","- C6 H5 Cl3 Hg N4 -","- C48 H40 Cl24 Hg8 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0595","0.0562","","","0.1512","0.1546","","","","","","1.09","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249006","13.7616","0.0005","13.875","0.0003","17.3043","0.0007","90","","112.316","0.005","90","","3056.7","0.2","295.9","0.1","295.9","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H9 Cd Cl3 N4 -","- C12 H9 Cd Cl3 N4 -","- C96 H72 Cd8 Cl24 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","","1.54184","CuKα","","0.0559","0.0475","","","0.1317","0.138","","","","","","1.056","","","","has coordinates,has disorder","294518","2024-09-06","00:15:59",""
"7249007","14.6958","0.0004","8.2297","0.0002","13.5675","0.0003","90","","101.382","0.003","90","","1608.61","0.07","294.97","0.1","294.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl8 Hg3 N8 -","- C24 H18 Cl8 Hg3 N8 -","- C48 H36 Cl16 Hg6 N16 -","2","0.5","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0553","0.049","","","0.132","0.1362","","","","","","1.077","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249008","14.6036","0.0006","10.4826","0.0003","14.0963","0.0006","90","","114.117","0.005","90","","1969.56","0.15","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C6 H5 Cd Cl3 N4 -","- C6 H5 Cd Cl3 N4 -","- C48 H40 Cd8 Cl24 N32 -","8","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0527","0.0504","","","0.137","0.1398","","","","","","1.043","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249009","7.8207","0.0002","11.482","0.0002","12.1835","0.0003","107.838","0.002","95.257","0.002","94.091","0.002","1031.35","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cl4 N8 Zn -","- C16 H14 Cl4 N8 Zn -","- C32 H28 Cl8 N16 Zn2 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","0.71073","MoKα","","0.0281","0.0255","","","0.0615","0.0624","","","","","","1.039","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249010","7.9194","0.0005","11.28","0.0007","14.7285","0.0005","102.283","0.004","92.67","0.004","110.237","0.006","1195.82","0.13","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd2 Cl6 N8 -","- C16 H14 Cd2 Cl6 N8 -","- C32 H28 Cd4 Cl12 N16 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","1.54184","CuKα","","0.0788","0.0659","","","0.1701","0.1809","","","","","","1.066","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249011","6.9888","0.0002","10.2584","0.0004","18.2501","0.0006","102.553","0.003","90.641","0.003","108.11","0.003","1209.5","0.08","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 Cl5 N12 Zn -","- C18 H15 Cl5 N12 Zn -","- C36 H30 Cl10 N24 Zn2 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","x-ray","0.71073","MoKα","","0.0513","0.0367","","","0.0774","0.0822","","","","","","1.046","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249012","9.932","0.0002","14.3027","0.0003","19.3085","0.0004","90.232","0.002","96.974","0.002","92.585","0.002","2719.67","0.1","260.89","","260.89","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 Cl7.91 N16 Zn2 -","- C48 H36 Cl7.917 N16 Zn2 -","- C96 H72 Cl15.834 N32 Zn4 -","2","1","","Panda, Subhra Jyoti; Agrawalla, Suraj Kumar; Purohit, Chandra Shekhar","Crystallographic insight into the binding modes of group 12 metal cations with N7-alkylated purines","CrystEngComm","2024","26","33","4418","4430","10.1039/D4CE00341A","","","1.54184","CuKα","","0.0842","0.0699","","","0.2139","0.2295","","","","","","1.06","","","","has coordinates","294518","2024-09-06","00:15:59",""
"7249013","9.1407","0.0002","9.6712","0.0003","10.5728","0.0002","83.925","0.002","86.217","0.002","65.675","0.003","846.64","0.04","295","0.1","295","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C13 H5 F3 I3 N O S -","- C13 H5 F3 I3 N O S -","- C26 H10 F6 I6 N2 O2 S2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0456","0.0341","","","0.086","0.0907","","","","","","1.071","","","","has coordinates,has disorder","294525","2024-09-06","00:18:26",""
"7249014","9.0215","0.0011","5.9752","0.0006","16.633","0.002","90","","102.764","0.012","90","","874.45","0.18","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H9 F4 I2 N O -","- C16 H9 F4 I2 N O -","- C32 H18 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0558","0.0368","","","0.0706","0.0815","","","","","","1.024","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249015","5.8434","0.0003","9.8958","0.0004","10.8439","0.0005","68.788","0.004","84.873","0.004","75.319","0.004","565.48","0.05","294.98","0.1","294.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C20 H10 F4 I2 N2 O2 S2 -","- C20 H10 F4 I2 N2 O2 S2 -","- C20 H10 F4 I2 N2 O2 S2 -","1","0.5","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0411","0.0305","","","0.0785","0.0843","","","","","","1.044","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249016","4.9988","0.0003","17.71","0.0008","19.4968","0.001","90","","95.15","0.005","90","","1719.06","0.16","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 F3 I3 N2 O -","- C14 H6 F3 I3 N2 O -","- C56 H24 F12 I12 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0699","0.0556","","","0.1144","0.1214","","","","","","1.181","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249017","5.9978","0.0001","7.774","0.0002","32.974","0.0007","90","","90","","90","","1537.48","0.06","169.99","0.1","169.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","3-pyridyloxazole 2,4,5,6-tetrafluoro-1,3-diiodobenzene","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C56 H24 F16 I8 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0198","0.0187","","","0.0361","0.0364","","","","","","1.03","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249018","7.3099","0.0005","12.9537","0.0011","26.1341","0.0015","90","","90.842","0.006","90","","2474.4","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H6 F8 I4 N2 O -","- C20 H6 F8 I4 N2 O -","- C80 H24 F32 I16 N8 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1232","0.0748","","","0.1647","0.1927","","","","","","1.065","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249019","17.6258","0.0002","4.7248","0.0001","22.8559","0.0003","90","","97.24","0.001","90","","1888.23","0.05","295","","295","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C16 H9 F3 I3 N O -","- C16 H9 F3 I3 N O -","- C64 H36 F12 I12 N4 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0435","0.0417","","","0.1212","0.1233","","","","","","1.032","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249020","29.7446","0.0014","8.7558","0.0002","24.0108","0.0011","90","","127.927","0.007","90","","4932.6","0.6","170","0.1","170","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","phen-ox_14tfib_2","","- C21 H7 F8 I4 N O -","- C21 H7 F8 I4 N O -","- C168 H56 F64 I32 N8 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.033","0.0249","","","0.0497","0.0519","","","","","","1.01","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249021","8.1546","0.0005","5.9866","0.0003","16.616","0.0007","90","","97.011","0.005","90","","805.1","0.07","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H7 F4 I2 N O -","- C15 H7 F4 I2 N O -","- C30 H14 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0491","0.0356","","","0.0923","0.1009","","","","","","0.99","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249022","9.1993","0.0004","9.7631","0.0004","10.5954","0.0003","84.563","0.003","85.979","0.003","65.091","0.004","858.73","0.06","298.09","0.1","298.09","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H7 F3 I3 N O -","- C15 H7 F3 I3 N O -","- C30 H14 F6 I6 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0541","0.0405","","","0.1049","0.1126","","","","","","1.04","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249023","8.1512","0.0003","9.2659","0.0004","11.0875","0.0004","103.811","0.003","95.582","0.003","101.302","0.003","788.26","0.06","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","phox_13tfib","","- C15 H7 F4 I2 N O -","- C15 H7 F4 I2 N O -","- C30 H14 F8 I4 N2 O2 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0361","0.0276","","","0.0542","0.0565","","","","","","1.043","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249024","17.9765","0.0013","12.865","0.0013","13.6805","0.001","90","","90","","90","","3163.9","0.5","295","","295","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H6 F4 I2 N2 O -","- C14 H6 F4 I2 N2 O -","- C112 H48 F32 I16 N16 O8 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.1022","0.0657","","","0.1622","0.204","","","","","","1.074","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249025","4.9443","0.0002","17.6264","0.0006","21.809","0.0009","90","","96.092","0.004","90","","1889.93","0.13","298.14","0.1","298.14","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C15 H6 F3 I3 N2 O3 -","- C15 H6 F3 I3 N2 O3 -","- C60 H24 F12 I12 N8 O12 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0331","0.0302","","","0.0732","0.0748","","","","","","1.073","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249026","5.7685","0.0005","16.8433","0.0009","7.9199","0.0005","90","","97.137","0.007","90","","763.54","0.09","295","","295","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H5 F4 I2 N O2 -","- C13 H5 F4 I2 N O2 -","- C26 H10 F8 I4 N2 O4 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0603","0.0428","","","0.0683","0.0777","","","","","","1.009","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249027","11.7125","0.0004","8.7742","0.0003","22.06","0.0008","90","","98.273","0.003","90","","2243.47","0.14","169.99","0.1","169.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","benz[b]oxazole","","- C7 H5 N O -","- C7 H5 N O -","- C112 H80 N16 O16 -","16","2","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","x-ray","0.71073","MoKα","","0.0479","0.0426","","","0.1195","0.1231","","","","","","1.082","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249028","10.0238","0.0005","11.0764","0.0005","12.9002","0.0004","99.313","0.003","95.503","0.003","94.395","0.004","1400.68","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H15 F3 I3 N3 O3 -","- C27 H15 F3 I3 N3 O3 -","- C54 H30 F6 I6 N6 O6 -","2","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0875","0.0607","","","0.159","0.187","","","","","","1.033","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249029","19.0306","0.0007","6.4052","0.0002","14.0416","0.0005","90","","102.248","0.004","90","","1672.64","0.1","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C72 H48 N16 O24 -","8","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0742","0.0504","","","0.1305","0.15","","","","","","1.019","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249030","8.7028","0.0003","21.0309","0.001","9.406","0.0003","90","","95.139","0.004","90","","1714.64","0.12","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H6 F4 I2 N2 O3 -","- C15 H6 F4 I2 N2 O3 -","- C60 H24 F16 I8 N8 O12 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0593","0.0357","","","0.0535","0.0599","","","","","","1.017","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249031","14.4917","0.0003","7.3816","0.0002","26.3414","0.0005","90","","90.223","0.002","90","","2817.77","0.11","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 F4 I2 N O -","- C13 H5 F4 I2 N O -","- C104 H40 F32 I16 N8 O8 -","8","2","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0449","0.0287","","","0.0576","0.0635","","","","","","1.027","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249032","14.1322","0.0004","5.5319","0.0002","18.641","0.0005","90","","95.506","0.003","90","","1450.59","0.08","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H5 F4 I2 N O -","- C13 H5 F4 I2 N O -","- C52 H20 F16 I8 N4 O4 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.029","0.0269","","","0.0683","0.0698","","","","","","0.932","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249033","4.9817","0.0002","17.5239","0.0004","19.0409","0.0007","90","","93.994","0.003","90","","1658.21","0.1","294.99","0.1","294.99","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H5 F3 I3 N O2 -","- C13 H5 F3 I3 N O2 -","- C52 H20 F12 I12 N4 O8 -","4","1","","Sušanj, Ruđer; Bedeković, Nikola; Cerovski, Sara; Baus Topić, Nea; Nemec, Vinko; Cinčić, Dominik","Evaluation of halogen bonding proclivity of oxazole derivatives carrying multiple acceptor sites in cocrystals with perfluorinated iodobenzenes","CrystEngComm","2024","26","31","4137","4145","10.1039/D4CE00557K","","","0.71073","MoKα","","0.0411","0.0333","","","0.0873","0.0909","","","","","","1.084","","","","has coordinates","294525","2024-09-06","00:18:26",""
"7249034","10.2225","0.0005","11.0134","0.0005","12.1627","0.0004","84.048","0.003","79.544","0.004","83.723","0.004","1333.59","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cd1.5 N3 O11 -","- C24 H26 Cd1.5 N3 O11 -","- C48 H52 Cd3 N6 O22 -","2","1","","Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes","CrystEngComm","2024","26","32","4339","4349","10.1039/D4CE00455H","","","1.54184","CuKα","","0.0657","0.0494","","","0.1214","0.134","","","","","","1.015","","","","has coordinates,has disorder","294504","2024-09-06","00:12:44",""
"7249035","17.4786","0.0007","12.9233","0.0004","6.5827","0.0003","90","","112.399","0.005","90","","1374.72","0.11","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H15 O12 Zn1.5 -","- C9 H15 O12 Zn1.5 -","- C36 H60 O48 Zn6 -","4","1","","Huan, Zhipeng; Zou, Huiqi; Wang, Na; Lu, Jing; Liu, Houting; Wang, Suna; Li, Yunwu","Two water-rich amphiphilic and hydrophilic coordination polymers: syntheses, structures and proton conduction behaviors in Nafion composite membranes","CrystEngComm","2024","26","32","4339","4349","10.1039/D4CE00455H","","","1.54184","CuKα","","0.0384","0.0374","","","0.1008","0.1019","","","","","","1.087","","","","has coordinates","294504","2024-09-06","00:12:45",""
"7249036","13.0333","0.0005","15.073","0.0006","18.2889","0.0007","106.84","0.001","92.601","0.001","97.46","0.001","3396.6","0.2","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C126 H132 Ag4 Mo8 N6 O32 P6 -","- C126 H132 Ag4 Mo8 N6 O32 P6 -","- C126 H132 Ag4 Mo8 N6 O32 P6 -","1","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.0494","0.0425","","","0.1161","0.12","","","","","","1.048","","","","has coordinates,has disorder","294507","2024-09-06","00:13:20",""
"7249037","13.265","0.003","21.934","0.004","23.266","0.005","90","","91.28","0.03","90","","6768","2","150.15","","150.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C110 H104 Cl4 Cu4 Mo8 N4 O26 P8 -","- C110 H104 Cl4 Cu4 Mo8 N4 O26 P8 -","- C220 H208 Cl8 Cu8 Mo16 N8 O52 P16 -","2","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.096","0.0789","","","0.1871","0.1954","","","","","","1.115","","","","has coordinates,has disorder","294507","2024-09-06","00:13:20",""
"7249038","15.9275","0.0006","16.1794","0.0006","19.0604","0.0008","81.001","0.002","78.954","0.001","88.419","0.001","4761.5","0.3","200","","200","","","","","","","","","7","P -1","-P 1","2","","","","- C156 H138 Cu4 Mo8 N6 O26 P8 -","- C156 H138 Cu4 Mo8 N6 O26 P8 -","- C156 H138 Cu4 Mo8 N6 O26 P8 -","1","0.5","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","0.71073","MoKα","","0.0665","0.0483","","","0.1467","0.1563","","","","","","1.122","","","","has coordinates","294507","2024-09-06","00:13:20",""
"7249039","23.7515","0.0008","17.9116","0.0006","33.5518","0.0011","90","","90","","90","","14273.9","0.8","200","","200","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C110 H104 Ag4 Cl4 Mo8 N4 O26 P8 -","- C110 H104 Ag4 Cl4 Mo8 N4 O26 P8 -","- C440 H416 Ag16 Cl16 Mo32 N16 O104 P32 -","4","1","","Yu, Yi-Qi; Sun, Shang-Bin; Deng, Wen-Hao; Li, Jian; Lu, Zhi-Yi; He, Jia-Hui; Wang, Long-Sheng; Meng, Xiang-Gao","Synthesis, structures and luminescence of several coordination complexes based on β-octamolybdate and Ag/Cu phosphine units","CrystEngComm","2024","26","32","4329","4338","10.1039/D4CE00496E","","","1.34139","GaKα","","0.0574","0.0539","","","0.1373","0.1396","","","","","","1.054","","","","has coordinates","294507","2024-09-06","00:13:20",""
"7249047","11.4897","0.0003","12.2783","0.0005","14.8287","0.0008","81.385","0.004","72.679","0.003","83.705","0.003","1969.85","0.15","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H48 Br4 N8 O12 Pb4 S4 -","- C80 H48 Br4 N8 O12 Pb4 S4 -","- C80 H48 Br4 N8 O12 Pb4 S4 -","1","0.5","","Darious, Robert Swinton; Evangeline, H. Gifta; Perdih, Franc; Vedha, Swaminathan Angeline","Role of tetrel bonds in the supramolecular architecture of tetranuclear Pb(ii)[LL′thiophene carboxylate] complexes – an experimental and computational study","CrystEngComm","2024","26","30","4098","4106","10.1039/D4CE00466C","","","1.54184","CuKα","","0.0664","0.0555","","","0.1396","0.154","","","","","","1.026","","","","has coordinates,has disorder","293800","2024-08-05","18:29:21",""
"7249052","7.048","0.008","7.351","0.008","15.499","0.016","78.09","0.03","84.05","0.03","69.2","0.03","734.1","1.4","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N2 O3 -","- C16 H17 N2 O3 -","- C32 H34 N4 O6 -","2","1","","Saikia, Plabon; Gupta, Poonam; Nath, Tridib R.; Nath, Naba K.","Crystal-to-crystal polymorphic phase transition in a cocrystal accompanied by expansion and surface wettability change","CrystEngComm","2024","26","32","4259","4263","10.1039/D4CE00407H","","","0.71073","MoKα","","0.1099","0.0581","","","0.1356","0.1688","","","","","","1.0435","","","","has coordinates","294510","2024-09-06","00:14:31",""
"7249053","8.9872","0.0006","13.7547","0.0009","26.5649","0.0017","90","","90","","90","","3283.9","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","Febuxostat","","","- C16 H16 N2 O3 S -","- C16 H16 N2 O3 S -","- C128 H128 N16 O24 S8 -","8","2","","Ungur, Doriana T.; Lanza, Arianna; Stam, Danny; Guguta, Carmen; Iordache, Coca; Fruth, Victor; Santiso-Quinones, Gustavo; Pop, Mihaela M.","Crystal structure of febuxostat marketed polymorph determined by electron diffraction and reinforced by X-ray crystallography","CrystEngComm","2024","26","32","4295","4304","10.1039/D4CE00518J","","","1.54184","CuKα","","0.1005","0.0629","","","0.1407","0.1689","","","","","","1.006","","","","has coordinates","294506","2024-09-06","00:13:04",""
"7249056","10.7933","0.0013","15.7086","0.0012","7.8096","0.0006","90","","90","","90","","1324.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H20 Br9 N2 Sb -","- C15 H20 Br9 N2 Sb -","- C30 H40 Br18 N4 Sb2 -","2","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.049","0.0403","","","0.0814","0.0869","","","","","","1.028","","","","has coordinates","294516","2024-09-06","00:15:32",""
"7249057","22.0906","0.0014","7.8331","0.0005","20.5614","0.0014","90","","102.413","0.007","90","","3474.7","0.4","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 Br12 N2 Sb2 -","- C18 H26 Br12 N2 Sb2 -","- C72 H104 Br48 N8 Sb8 -","4","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0339","0.0251","","","0.0509","0.0541","","","","","","0.995","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249058","7.7262","0.0002","8.7072","0.0004","11.2299","0.0004","75.662","0.004","82.363","0.003","82.661","0.003","721.91","0.05","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C17 H24 Br9 N2 Sb -","- C17 H24 Br9 N2 Sb -","- C17 H24 Br9 N2 Sb -","1","1","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0399","0.0343","","","0.0694","0.0728","","","","","","0.989","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249059","7.4663","0.0005","9.0838","0.0007","10.3799","0.0009","112.483","0.007","95.318","0.006","98.593","0.006","634.47","0.09","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br9 N2 Sb -","- C14 H18 Br9 N2 Sb -","- C14 H18 Br9 N2 Sb -","1","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0524","0.0414","","","0.0863","0.0936","","","","","","0.986","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249060","7.1919","0.0002","8.9352","0.0003","12.059","0.0004","69.046","0.003","74.269","0.003","80.096","0.003","694.14","0.04","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Br9 N2 Sb -","- C16 H20 Br9 N2 Sb -","- C16 H20 Br9 N2 Sb -","1","0.5","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0433","0.0338","","","0.0706","0.0757","","","","","","1.033","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249061","11.2062","0.0002","15.7756","0.0003","16.4774","0.0003","114.223","0.002","95.122","0.002","106.738","0.002","2471.12","0.1","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Br15 N4 Sb3 -","- C28 H36 Br15 N4 Sb3 -","- C56 H72 Br30 N8 Sb6 -","2","1","","Bondarenko, Mikhail A.; Novikov, Alexander S.; Abramov, Pavel A.; Sokolov, Maxim N.; Adonin, Sergey A.","Crystalline products of bromoantimonate(iii) oxidation by Br2 in the presence of different cations: diversity of structural types and patterns of halogen bond systems","CrystEngComm","2024","26","33","4518","4524","10.1039/D4CE00207E","","","0.71073","MoKα","","0.0472","0.0337","","","0.0603","0.0651","","","","","","1.028","","","","has coordinates","294516","2024-09-06","00:15:33",""
"7249062","9.4676","0.0007","11.3277","0.0011","14.7065","0.0014","90","","99.769","0.003","90","","1554.3","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H32 N12 O6 Pb2 S2 -","- C24 H32 N12 O6 Pb2 S2 -","- C48 H64 N24 O12 Pb4 S4 -","2","0.5","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide","CrystEngComm","2024","26","32","4357","4366","10.1039/D4CE00582A","","","0.71073","MoKα","","0.0262","0.0185","","","0.0325","0.0341","","","","","","1.057","","","","has coordinates","294511","2024-09-06","00:14:41",""
"7249063","25.1389","0.001","11.3401","0.0005","38.3204","0.0019","90","","102.189","0.001","90","","10678","0.8","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C36 H54 Cl3 N15 O15.25 Pb3 S3 -","- C36 H54 Cl3 N15 O15.25 Pb3 S3 -","- C288 H432 Cl24 N120 O122 Pb24 S24 -","8","1","","Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Castiñeiras, Alfonso; Fernández-Vazquez, Roi; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Anion driven tetrel bonding dictated supramolecular architectures of lead(ii) with a zwitterionic form of polydentate N′-(piperidine-1-carbonothioyl)picolinohydrazonamide","CrystEngComm","2024","26","32","4357","4366","10.1039/D4CE00582A","","","0.71073","MoKα","","0.0655","0.0352","","","0.0518","0.0593","","","","","","1.027","","","","has coordinates","294511","2024-09-06","00:14:41",""
"7249064","17.731","0.006","17.61","0.006","18.563","0.006","90","","93.025","0.006","90","","5788","3","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H32 N10 O10 Zn2 -","- C48 H32 N10 O10 Zn2 -","- C192 H128 N40 O40 Zn8 -","4","0.5","","Zhong, Xin; Yang, Xiying; Wang, Jun; Lu, Lu; Muddassir, Mohd; Kushwaha, Aparna; Srivastava, Shreya; Kumar, Abhinav","A new pyromellitic acid and 3,5-bis(benzoimidazo-1-ly)pyridine based Zn(ii)-MOF as prospective turn-off–on sensor for tetracycline","CrystEngComm","2024","26","33","4509","4517","10.1039/D4CE00471J","","","0.71073","MoKα","","0.0907","0.0489","","","0.1321","0.1509","","","","","","0.987","","","","has coordinates","294517","2024-09-06","00:15:40",""
"7249065","25.9446","0.0009","16.1841","0.0006","9.4239","0.0003","90","","99.628","0.002","90","","3901.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H15 N5 O2 -","- C25 H15 N5 O2 -","- C200 H120 N40 O16 -","8","2","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0728","0.0468","","","0.1141","0.1291","","","","","","1.065","","","","has coordinates","294523","2024-09-06","00:17:35",""
"7249066","9.6535","0.0004","16.8465","0.0007","25.9752","0.001","90","","93.411","0.002","90","","4216.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H76 Eu2 N10 O12 -","- C98 H76 Eu2 N10 O12 -","- C196 H152 Eu4 N20 O24 -","2","0.5","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0497","0.0407","","","0.0983","0.1016","","","","","","1.119","","","","has coordinates","294523","2024-09-06","00:17:36",""
"7249067","9.4359","0.0005","17.4013","0.0009","25.6394","0.0014","90","","91.022","0.002","90","","4209.2","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H74 Eu2 N8 O14 -","- C98 H74 Eu2 N8 O14 -","- C196 H148 Eu4 N16 O28 -","2","0.5","","Yang, Ling-Fei; Zhang, Zhi-Peng; Li, Yu-Lin; Cai, Shu-Ting; Li, Ze-Yan; Shen, Yi-Ran; Zhang, Zi-Ying; Lin, Jia-Yu; Ou, Yong-Cong; Wu, Jian-Zhong","Synthesis, structure and luminescence of two europium complexes of diphenylimidazophenanthrolines","CrystEngComm","2024","26","31","4235","4240","10.1039/D4CE00440J","","","0.71073","MoKα","","0.0469","0.0395","","","0.096","0.1007","","","","","","1.075","","","","has coordinates","294523","2024-09-06","00:17:36",""
"7249068","19.4844","0.0005","19.797","0.0006","20.2908","0.001","90","","93.527","0.003","90","","7812","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C102 H205 Co16 N O66 -","- C102 H205 Co16 N O66 -","- C204 H410 Co32 N2 O132 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core","CrystEngComm","2024","26","32","4264","4271","10.1039/D4CE00637B","","","0.71073","MoKα","","0.1348","0.063","","","0.1209","0.1436","","","","","","1","","","","has coordinates,has disorder","294509","2024-09-06","00:14:17",""
"7249069","19.5755","0.0006","19.8822","0.0009","20.6464","0.0011","90","","94.644","0.003","90","","8009.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C106 H213 Co16 N O66 -","- C106 H213 Co16 N O66 -","- C212 H426 Co32 N2 O132 -","2","0.5","","Stati, Dumitru; van Leusen, Jan; Kravtsov, Victor Ch.; Krämer, Karl; Liu, Shi-Xia; Decurtins, Silvio; Kögerler, Paul; Baca, Svetlana G.","Hexadecanuclear isobutyrate nanoclusters with a {CoII14CoIII2} core","CrystEngComm","2024","26","32","4264","4271","10.1039/D4CE00637B","","","0.71073","MoKα","","0.1414","0.0733","","","0.1782","0.2143","","","","","","1.003","","","","has coordinates,has disorder","294509","2024-09-06","00:14:17",""
"7249073","10.9806","0.0011","4.9204","0.0005","22.904","0.002","90","","92.98","0.003","90","","1235.8","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N4 O5 -","- C9 H13 N4 O5 -","- C36 H52 N16 O20 -","4","1","","Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang","Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids","CrystEngComm","2024","26","31","4214","4222","10.1039/D4CE00513A","","","0.71073","MoKα","","0.0956","0.0491","","","0.0972","0.1157","","","","","","1.039","","","","has coordinates","294519","2024-09-06","00:16:31",""
"7249074","4.958","0.0002","11.3093","0.0006","14.6326","0.0008","86.267","0.002","81.573","0.002","83.375","0.002","805.22","0.07","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 N4 O6 -","- C14 H16 N4 O6 -","- C28 H32 N8 O12 -","2","1","","Yang, Mingzhu; Jiang, Zhouyu; Du, Cunbin; Zhang, Xiaowen; Wang, Mingliang","Chemical stabilization strategy for cymoxanil: synthesis and characterization of cocrystals with small organic acids","CrystEngComm","2024","26","31","4214","4222","10.1039/D4CE00513A","","","1.54178","CuKα","","0.0828","0.0703","","","0.2215","0.2291","","","","","","1.112","","","","has coordinates","294519","2024-09-06","00:16:32",""
"7249075","29.618","0.002","15.2128","0.0013","24.2347","0.0011","90","","90","","90","","10919.5","1.3","293","2","293","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C120 H60 Cu9 N40 O22 -","- C120 H60 Cu9 N40 O21.998 -","- C240 H120 Cu18 N80 O43.996 -","2","0.25","","Chen, Xi; Chen, Zi-tong; Zhu, Feng; Chen, Yuan; Liu, Ao-gang; Yin, Xue; Chen, Zi-ke; Li, Bao","Enhanced organic dye adsorption and photocatalytic activity through a metal–organic framework featuring heptanuclear/binuclear clusters and cage cavities","CrystEngComm","2024","26","33","4489","4497","10.1039/D4CE00484A","","","0.71","MoKα","","0.1321","0.0952","","","0.2646","0.3274","","","","","","1.027","","","","has coordinates,has disorder","294514","2024-09-06","00:15:14",""
"7249084","11.723","0.002","11.705","0.002","16.755","0.006","90","","115.55","0.02","90","","2074.3","1","298","2","298","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C24 H20 Cd Cl14 N4 O8 -","- C20 H16 Cd Cl2 N4 O8 -","- C40 H32 Cd2 Cl4 N8 O16 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.1086","0.092","","","0.2638","0.28","","","","","","1.0192","","","","has coordinates","294532","2024-09-06","00:20:33",""
"7249085","10.351","0.002","11.599","0.002","13.672","0.003","90","","92.57","0.03","90","","1639.8","0.6","298","2","298.15","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C24 H21 Cd Cl5 N8 O9 -","- C22 H16 Cd Cl2 N8 O8 -","- C44 H32 Cd2 Cl4 N16 O16 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.0961","0.069","","","0.17","0.1866","","","","","","0.9718","","","","has coordinates,has disorder","294532","2024-09-06","00:20:33",""
"7249086","9.1632","0.0018","9.795","0.002","13.509","0.003","105.06","0.03","109.51","0.03","90.79","0.03","1096.9","0.5","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H34.8 Cd Cl2 N18 O11.4 -","- C38 H34.8 Cd Cl2 N18 O11.4 -","- C38 H34.8 Cd Cl2 N18 O11.4 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Facile fabrication in coordination networks: an in situ sequential replacement of linkers by successive SC–SC transformations via core@shell crystals","CrystEngComm","2024","26","34","4720","4731","10.1039/D4CE00632A","","","0.71073","MoKα","","0.0826","0.0642","","","0.1519","0.1626","","","","","","0.9668","","","","has coordinates,has disorder","294532","2024-09-06","00:20:33",""
"7249087","11.8513","0.0008","12.1261","0.0009","13.3197","0.0009","90.144","0.002","106.205","0.002","116.611","0.002","1625.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 F9 Gd N2 O6 -","- C27 H24 F9 Gd N2 O6 -","- C54 H48 F18 Gd2 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0385","0.0341","","","0.0921","0.0985","","","","","","1.019","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249088","15.7398","0.0008","17.6702","0.0008","18.6995","0.0009","90","","106.605","0.001","90","","4983.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 F9 Gd N2 O6 -","- C49 H46 F9 Gd N2 O6 -","- C196 H184 F36 Gd4 N8 O24 -","4","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0394","0.0334","","","0.1053","0.1223","","","","","","0.99","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249089","11.816","0.0014","12.1181","0.0014","13.2915","0.0015","90.396","0.001","106.009","0.001","116.348","0.001","1620.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Dy F9 N2 O6 -","- C27 H24 Dy F9 N2 O6 -","- C54 H48 Dy2 F18 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0387","0.0349","","","0.0936","0.0977","","","","","","1.034","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249090","12.6639","0.0007","13.2219","0.0007","16.7861","0.0007","90","","113.407","0.003","90","","2579.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Dy2 F18 N4 O12 -","- C38 H30 Dy2 F18 N4 O12 -","- C76 H60 Dy4 F36 N8 O24 -","2","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0422","0.0347","","","0.0867","0.0951","","","","","","1.036","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249091","9.8261","0.001","11.0676","0.0011","17.1496","0.0018","71.781","0.002","80.509","0.002","84.683","0.002","1745.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H21 F9 Gd N2 O6 -","- C34 H21 F9 Gd N2 O6 -","- C68 H42 F18 Gd2 N4 O12 -","2","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0653","0.0433","","","0.0785","0.0874","","","","","","1.016","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249092","12.6945","0.0007","13.147","0.0007","16.7459","0.0007","90","","113.398","0.003","90","","2565","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 F18 Gd2 N4 O12 -","- C38 H30 F18 Gd2 N4 O12 -","- C76 H60 F36 Gd4 N8 O24 -","2","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71067","MoKα","","0.0347","0.0295","","","0.0714","0.0782","","","","","","1.03","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249093","15.7153","0.0006","17.6221","0.0006","18.7216","0.0006","90","","106.977","0.001","90","","4958.8","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H46 Dy F9 N2 O6 -","- C49 H46 Dy F9 N2 O6 -","- C196 H184 Dy4 F36 N8 O24 -","4","1","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0349","0.0273","","","0.064","0.0731","","","","","","1.017","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249094","9.8524","0.0015","11.032","0.0016","17.118","0.002","71.671","0.002","80.346","0.002","84.439","0.002","1739.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H42 Dy2 F18 N4 O12 -","- C68 H42 Dy2 F18 N4 O12 -","- C68 H42 Dy2 F18 N4 O12 -","1","0.5","","Hu, Peng; Ding, Manman; Gao, Xinpeng; Zhu, Aixin; Xiao, Fengping; Cao, Jiangfei; Zhang, Yiquan","Apparently improved energy barrier of Dy(iii) SMMs by adopting the bridging bipyrimidine ligand","CrystEngComm","2024","26","34","4657","4668","10.1039/D4CE00436A","","","0.71073","MoKα","","0.0316","0.0264","","","0.0541","0.0556","","","","","","1.014","","","","has coordinates","294528","2024-09-06","00:19:39",""
"7249095","10.1258","0.001","17.1023","0.0018","17.3953","0.0018","98.893","0.003","105.772","0.003","100.319","0.003","2785.6","0.5","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H12 Cd2 O15 -","- C30 H12 Cd2 O15 -","- C60 H24 Cd4 O30 -","2","1","","Xiong, Yuxuan; Li, Dan-Dan; Yu, Jie-Hui; Yang, Qingfeng","Dye adsorption performance of an anionic Cd2+ MOF material based on semi-rigid hexacarboxylic acid","CrystEngComm","2024","26","34","4579","4591","10.1039/D4CE00362D","","","0.71073","MoKα","","0.1111","0.0967","","","0.3019","0.3165","","","","","","1.119","","","","has coordinates","294529","2024-09-06","00:19:46",""
"7249096","24.457","0.005","8.6861","0.0017","18.097","0.003","90","","90.435","0.009","90","","3844.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2,4,5-trifluoro-1,3-phenylenediamine 15-crown-5, associate 1:1","","- C16 H25 F3 N2 O5 -","- C16 H25 F3 N2 O5 -","- C128 H200 F24 N16 O40 -","8","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1286","0.0954","","","0.2285","0.2499","","","","","","1.072","","","","has coordinates,has disorder","294531","2024-09-06","00:20:12",""
"7249097","11.5203","0.0014","11.5359","0.0015","11.8617","0.0017","106.975","0.005","108.55","0.004","90.001","0.005","1421.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Co-crystal of 2,4-diaminotrifluoronitrobenzene and 15-crown-5, 2:1","","- C22 H28 F6 N6 O9 -","- C22 H28 F6 N6 O9 -","- C44 H56 F12 N12 O18 -","2","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1015","0.0635","","","0.171","0.201","","","","","","1.031","","","","has coordinates,has disorder","294531","2024-09-06","00:20:12",""
"7249098","24.7949","0.0015","8.4611","0.0004","17.9811","0.001","90","","91.929","0.003","90","","3770.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Co-crystal of 2,4-diaminotrifluoropyridine and 15-crown-5, 1:1","","- C15 H24 F3 N3 O5 -","- C15 H24 F3 N3 O5 -","- C120 H192 F24 N24 O40 -","8","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1085","0.0754","","","0.186","0.2165","","","","","","1.079","","","","has coordinates,has disorder","294531","2024-09-06","00:20:13",""
"7249099","15.4617","0.0018","21.673","0.003","7.3234","0.0008","90","","90.584","0.005","90","","2454","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Co-crystal of 2,4-diaminotrifluoronitrobenzene and 12-crown-4, 2:1","","- C20 H24 F6 N6 O8 -","- C20 H24 F6 N6 O8 -","- C80 H96 F24 N24 O32 -","4","1","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.1992","0.1404","","","0.4282","0.4467","","","","","","1.363","","","","has coordinates","294531","2024-09-06","00:20:13",""
"7249100","5.7104","0.0002","9.502","0.0004","10.2481","0.0005","88.963","0.002","87.032","0.002","81.176","0.002","548.72","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","Co-crystal of 2,4-diaminotrifluoropyridine and 12-crown-4, 2:1","","- C18 H24 F6 N6 O4 -","- C18 H24 F6 N6 O4 -","- C18 H24 F6 N6 O4 -","1","0.5","","Vaganova, Tamara; Gatilov, Yurij; Kryuchkova, Natalia; Pishchur, Denis; Malykhin, Evgenij","Competition of intermolecular interactions in the self-assembly of co-crystals of trifluoro-meta-arylenediamines (benzene, nitrobenzene, pyridine) with 12-, 15-, and 18-membered crown ethers","CrystEngComm","2024","26","34","4602","4616","10.1039/D4CE00612G","","","0.71073","MoKα","","0.0458","0.0353","","","0.0987","0.1078","","","","","","1.057","","","","has coordinates","294531","2024-09-06","00:20:13",""
"7249101","30.2798","0.0012","6.8134","0.0003","14.1349","0.0006","90","","93.921","0.002","90","","2909.3","0.2","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C16 H11 Br2 N O -","- C16 H11 Br2 N O -","- C128 H88 Br16 N8 O8 -","8","2","","Parthasarathy, Thiyagaraj; Bhattacharya, Biswajit; Emmerling, Franziska; Ghosh, Soumyajit","Design of mechanically flexible photoresponsive cyanostilbene molecular crystals","CrystEngComm","2024","26","34","4634","4642","10.1039/D4CE00571F","","","0.71073","MoKα","","0.0527","0.0485","","","0.132","0.1341","","","","","","1.107","","","","has coordinates","294534","2024-09-06","00:21:09",""
"7249102","10.166","","10.246","","16.99","","105.02","","99.5","","99.93","","1642.2","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 Cd N2 O10 -","- C20 H10 Cd N2 O10 -","- C40 H20 Cd2 N4 O20 -","2","1","","Alp Arici, Tuğba; Şevik, Melike; Kavak, Enes; Kavak, Emrah; Arici, Mürsel","Efficient removal of methylene blue by water-stable anionic coordination polymer in aqueous media","CrystEngComm","2024","26","32","4387","4394","10.1039/D4CE00634H","","","0.71073","MoKα","","0.0493","0.0428","","","0.1049","0.1083","","","","","","1.05","","","","has coordinates","294508","2024-09-06","00:13:55",""
"7249103","3.9865","0.0006","37.612","0.005","11.9718","0.0015","90","","95.365","0.01","90","","1787.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Niclosamide dimethyl formamide solvate","","- C16 H15 Cl2 N3 O5 -","- C16 H15 Cl2 N3 O5 -","- C64 H60 Cl8 N12 O20 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1259","0.0685","","","0.1421","0.1648","","","","","","1.041","","","","has coordinates","294505","2024-09-06","00:12:56",""
"7249104","10.3963","0.0004","20.4099","0.0007","9.9364","0.0004","90","","117.104","0.0018","90","","1876.84","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Niclosamide n,n-dimethyl acetamide solvate 1","","- C17 H17 Cl2 N3 O5 -","- C17 H17 Cl2 N3 O5 -","- C68 H68 Cl8 N12 O20 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.0741","0.047","","","0.1119","0.1317","","","","","","1.052","","","","has coordinates","294505","2024-09-06","00:12:57",""
"7249105","16.821","0.016","11.538","0.01","9.082","0.008","90","","95.92","0.02","90","","1753","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Niclosamide dimethyl sulfoxide solvate","","- C15 H14 Cl2 N2 O5 S -","- C15 H14 Cl2 N2 O5 S -","- C60 H56 Cl8 N8 O20 S4 -","4","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.0972","0.0413","","","0.0916","0.1112","","","","","","1.025","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249106","7.5264","0.001","9.7054","0.0012","11.9792","0.0014","69.028","0.004","85.313","0.004","77.701","0.004","798.31","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide dioxane solvate 1","","- C15 H12 Cl2 N2 O5 -","- C15 H12 Cl2 N2 O5 -","- C30 H24 Cl4 N4 O10 -","2","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1041","0.0438","","","0.0985","0.1258","","","","","","1.014","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249107","11.4503","0.0005","12.5985","0.0005","14.5875","0.0007","66.0849","0.0014","87.5929","0.0015","64.4525","0.0012","1712.94","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide dioxane solvate 2","","- C32 H28 Cl4 N4 O11 -","- C32 H28 Cl4 N4 O11 -","- C64 H56 Cl8 N8 O22 -","2","1","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1031","0.0527","","","0.1295","0.1671","","","","","","1.038","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249108","7.434","0.0008","14.1832","0.0016","18.431","0.002","100.902","0.003","100.288","0.004","91.378","0.004","1874.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Niclosamide n,n-dimethyl acetamide solvate 2","","- C17 H17 Cl2 N3 O5 -","- C17 H17 Cl2 N3 O5 -","- C68 H68 Cl8 N12 O20 -","4","2","","Kuri, Prasitaditya; Nanubolu, Jagadeesh Babu","Why does the niclosamide drug form solvates or hydrates?","CrystEngComm","2024","26","32","4313","4328","10.1039/D4CE00463A","","","0.71073","MoKα","","0.1641","0.0519","","","0.1146","0.1614","","","","","","1.005","","","","has coordinates,has disorder","294505","2024-09-06","00:12:57",""
"7249119","10.6934","0.0003","36.4837","0.0007","15.7079","0.0004","90","","98.7233","0.0019","90","","6057.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","No.167","","","- C55 H43 Cd2 N9 O13 -","- C55 H43 Cd2 N9 O13 -","- C220 H172 Cd8 N36 O52 -","4","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","1.54186","CuKα","","0.104","0.0627","","","0.1548","0.1719","","","","","","0.972","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249120","30.1876","0.0008","20.3038","0.0006","20.5795","0.0006","90","","90","","90","","12613.6","0.6","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","No.176","","","- C52 H38 Cd2 N10 O12 -","- C52 H38 Cd2 N10 O12 -","- C416 H304 Cd16 N80 O96 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","1.54186","CuKα","","0.1877","0.1065","","","0.2648","0.3227","","","","","","1.023","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249121","30.4034","0.0019","19.7177","0.0013","39.988","0.003","90","","90","","90","","23972","3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C110 H84 N18 O26 Zn4 -","- C110 H84 N18 O26 Zn4 -","- C880 H672 N144 O208 Zn32 -","8","1","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Pour, Ali Nakhaei","Porosity control in pillar-layered MOF architectures: hydrogen bonding in amino-functionalized 2-D layers","CrystEngComm","2024","26","34","4708","4719","10.1039/D4CE00503A","","","0.71073","MoKα","","0.1983","0.1615","","","0.4143","0.4361","","","","","","1.05","","","","has coordinates,has disorder","294526","2024-09-06","00:19:03",""
"7249122","14.4882","0.0005","17.5369","0.0005","8.4421","0.0003","90","","100.351","0.003","90","","2110.04","0.12","293","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Crown6KHSeO4_2H2O","","- C12 H29 K O12 Se -","- C12 H29 K O12 Se -","- C48 H116 K4 O48 Se4 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","","0.71073","MoKα","","0.062","0.0541","","","0.1402","0.1453","","","","","","1.073","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249123","10.3093","0.0008","8.523","0.0006","21.5977","0.0015","90","","99.684","0.007","90","","1870.7","0.2","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H25 K O10 S0.5 Se0.5 -","- C12 H25 K O10 S0.5 Se0.5 -","- C48 H100 K4 O40 S2 Se2 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2703","0.08","","","0.1083","0.1624","","","","","","0.977","","","","has coordinates,has disorder","294513","2024-09-06","00:15:04",""
"7249124","22.1681","0.0014","9.9047","0.0004","20.5896","0.0012","90","","117.183","0.008","90","","4021.5","0.5","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Crown6RbHSeO4_H2O","","- C12 H27 O11 Rb Se -","- C12 H27 O11 Rb Se -","- C96 H216 O88 Rb8 Se8 -","8","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.1335","0.0502","","","0.0531","0.0741","","","","","","0.932","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249125","10.3653","0.0005","8.5649","0.0006","21.582","0.0014","90","","100.137","0.005","90","","1886.1","0.2","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cr6KHSeO4","","- C12 H25 K O10 Se -","- C12 H25 K O10 Se -","- C48 H100 K4 O40 Se4 -","4","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2256","0.0998","","","0.1636","0.2103","","","","","","1.045","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249126","23.7101","0.0016","8.4597","0.0007","21.3553","0.0018","90","","109.486","0.009","90","","4038.1","0.6","300","","300","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Cr6CsHSeO4_H2O","","- C12 H24 Cs O11 Se -","- C12 H24 Cs O11 Se -","- C96 H192 Cs8 O88 Se8 -","8","1","","Ocak, Samet; Braga, Dario; d'Agostino, Simone","Effect of supramolecular complexation of alkali hydrogenselenates with crown ethers and solid-solutions with their hydrogensulfate counterparts on the solid-to-solid phase transition behaviors","CrystEngComm","2024","26","33","4525","4532","10.1039/D4CE00514G","","x-ray","0.71073","MoKα","","0.2828","0.0794","","","0.1312","0.1888","","","","","","0.809","","","","has coordinates","294513","2024-09-06","00:15:04",""
"7249127","14.8893","0.0005","6.2149","0.0002","9.0927","0.0003","90","","93.663","0.003","90","","839.68","0.05","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 O4 P -","- C7 H10 O4 P -","- C28 H40 O16 P4 -","4","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","x-ray","1.54184","CuKα","","0.0556","0.0495","","","0.1391","0.1484","","","","","","1.149","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249128","5.51236","0.00003","15.23409","0.00008","19.29148","0.00011","90","","97.9423","0.0006","90","","1604.48","0.015","100","0.1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N O5 P -","- C18 H18 N O5 P -","- C72 H72 N4 O20 P4 -","4","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54184","CuKα","","0.0305","0.0303","","","0.08","0.0802","","","","","","1.046","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249129","12.0665","0.0002","13.6291","0.0003","15.2147","0.0002","90","","92.989","0.001","90","","2498.74","0.08","100.02","0.16","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N2 O4 P -","- C11 H13 N2 O3 P -","- C88 H104 N16 O24 P8 -","8","1","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54178","CuKα","","0.1311","0.1162","","","0.2165","0.2245","","","","","","1.068","","","","has coordinates,has disorder","294527","2024-09-06","00:19:19",""
"7249130","10.7489","0.0001","11.1092","0.0001","28.1083","0.0002","92.98","0.001","92.563","0.001","102.701","0.001","3264.47","0.05","100","0.1","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C96 H172 N24 O62 P4 -","- C96 H92 N24 O22 P4 -","- C96 H92 N24 O22 P4 -","1","0.5","","Almuhana, Asia R. Y.; Griffin, Sarah L.; Champness, Neil R.","Amidinium⋯phosphonate charge assisted hydrogen-bonded organic frameworks: influence of diverse intermolecular interactions","CrystEngComm","2024","26","34","4643","4648","10.1039/D4CE00479E","","","1.54184","CuKα","","0.0978","0.0923","","","0.2687","0.2732","","","","","","1.127","","","","has coordinates","294527","2024-09-06","00:19:19",""
"7249135","14.904","0.004","21.449","0.006","9.772","0.003","90","","110.651","0.003","90","","2923.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 Cl O7 -","- C31.9988 H38.999 Cl0.9998 O7 -","- C127.995 H155.996 Cl3.9992 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0522","0.0372","","","0.0935","0.1016","","","","","","1.056","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249136","14.823","0.007","21.293","0.007","9.842","0.004","90","","109.908","0.006","90","","2921","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31.69 H38.74 Br0.95 O7 -","- C31.7 H38.75 Br0.95 O7 -","- C126.8 H155 Br3.8 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0737","0.0583","","","0.1449","0.1502","","","","","","1.009","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249137","14.717","0.003","21.315","0.005","9.962","0.002","90","","109.453","0.003","90","","2946.6","1.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H39 I O7 -","- C32 H39 I O7 -","- C128 H156 I4 O28 -","4","0.5","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0509","0.0358","","","0.0761","0.0809","","","","","","1.074","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249138","9.71","0.004","13.163","0.005","13.202","0.005","111.592","0.004","103.293","0.004","98.851","0.004","1473","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cl2 O7 -","- C32 H38 Cl2 O7 -","- C64 H76 Cl4 O14 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0758","0.0506","","","0.1233","0.1358","","","","","","1.056","","","","has coordinates","294503","2024-09-06","00:12:35",""
"7249139","11.97","0.002","12.882","0.002","18.795","0.003","91.412","0.002","100.706","0.002","91.957","0.002","2844.6","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C62.25 H64.88 Cl3.38 O12 -","- C62.244 H64.87 Cl3.374 O12 -","- C124.488 H129.74 Cl6.748 O24 -","2","1","","Kawahata, Masatoshi; Hyodo, Tadashi; Kondo, Rina; Tominaga, Masahide; Yamaguchi, Kentaro","Inclusion of halobenzene in water-mediated hydrogen-bonded architectures built from a V-shaped host molecule","CrystEngComm","2024","26","32","4272","4277","10.1039/D4CE00616J","","","0.71073","MoKα","","0.0643","0.0468","","","0.1134","0.1223","","","","","","1.026","","","","has coordinates,has disorder","294503","2024-09-06","00:12:35",""
"7249140","5.4959","0.0001","15.2745","0.0003","13.9065","0.0002","90","","90.756","0.001","90","","1167.31","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O5 S2 -","- C10 H10 N2 O5 S2 -","- C40 H40 N8 O20 S8 -","4","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","1.54184","CuKα","","0.0439","0.0417","","","0.1123","0.1136","","","","","","1.094","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249141","8.3132","0.0002","8.5739","0.0002","16.6728","0.0004","81.781","0.002","88.042","0.002","89.048","0.002","1175.4","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H16 Br2 Cd N4 O5 S2 -","- C20 H18 Br2 Cd N4 O5 S2 -","- C40 H36 Br4 Cd2 N8 O10 S4 -","2","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","1.54184","CuKα","","0.0315","0.0293","","","0.0777","0.0784","","","","","","1.072","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249142","11.9566","0.0004","12.1665","0.0003","16.0453","0.0005","90","","92.158","0.003","90","","2332.45","0.12","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 Br N2 O2.5 S Zn0.5 -","- C10 H9 Br N2 O2.5 S Zn0.5 -","- C80 H72 Br8 N16 O20 S8 Zn4 -","8","1","","Liu, Lu; Zhang, Le-Tian; Yuan, Feng-Chen; Ren, Hong-Xia; Ma, Yue; Wang, Qing-Lun","Extended viologen compounds with photochromism, photoresponsive luminescence and ultrahigh quenching efficiency","CrystEngComm","2024","26","33","4431","4438","10.1039/D4CE00615A","","","0.71073","MoKα","","0.0261","0.0216","","","0.0533","0.0545","","","","","","1.037","","","","has coordinates","294515","2024-09-06","00:15:21",""
"7249143","14.3911","0.0009","4.9722","0.0003","13.1778","0.0008","90","","91.829","0.006","90","","942.46","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(Trifluoromethyl)cinnamic acid","trans-3-(trifluoromehtyl)cinnamic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","1","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","x-ray","0.71073","MoKα","","0.0808","0.0584","","","0.1356","0.1474","","","","","","1.106","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249144","7.893","0.0005","8.2222","0.0006","14.6037","0.0012","89.86","0.006","88.678","0.006","82.349","0.006","939.06","0.12","293","","293","","","","","","","","","4","P -1","-P 1","2","","trans-4-(trifluoromethyl)cinnamic acid illuminated to beta-truxinic acid","","- C20 H14 F6 O4 -","- C20 H14 F6 O4 -","- C40 H28 F12 O8 -","2","1","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","x-ray","0.71073","MoKα","","0.1446","0.0905","","","0.2737","0.323","","","","","","1.049","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249145","7.8672","0.0005","7.9953","0.0006","14.9972","0.0011","91.368","0.006","93.753","0.005","94.796","0.005","937.61","0.12","293","2","293","","","","","","","","","4","P -1","-P 1","2","trans-4-(trifluoromethyl) cinnamic acid","trans-4-(trifluoromethyl) cinnamic acid","","- C10 H7 F3 O2 -","- C10 H7 F3 O2 -","- C40 H28 F12 O8 -","4","2","","Ulambayar, Bayasgalan; Batchuluun, Khongorzul; Bariashir, Chantsalnyam; Uranbileg, Nergui; Stammler, Felix J.; Davaasambuu, Jav; Schrader, Tobias E.","Using potassium bromide pellets and optical spectroscopy to assess the photodimerization of two trans-(trifluoromethyl)-cinnamic acid compounds","CrystEngComm","2024","26","33","4470","4477","10.1039/D4CE00205A","","","0.71073","MoKα","","0.0757","0.0498","","","0.1529","0.171","","","","","","1.071","","","","has coordinates,has disorder","294512","2024-09-06","00:14:51",""
"7249146","6.8624","0.0007","13.4464","0.0016","19.361","0.002","90","","90","","90","","1786.5","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N4 Ni O8 -","- C16 H18 N4 Ni O8 -","- C64 H72 N16 Ni4 O32 -","4","0.5","","Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang","Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity","CrystEngComm","2024","26","35","4855","4870","10.1039/D4CE00480A","","","0.71073","MoKα","","0.1211","0.0593","","","0.1037","0.1241","","","","","","1.042","","","","has coordinates","295230","2024-10-06","07:33:54",""
"7249147","13.9347","0.0015","7.1605","0.0008","8.9773","0.001","90","","95.289","0.004","90","","891.94","0.17","170","2","170","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H22 N8 Ni O4 -","- C16 H22 N8 Ni O4 -","- C32 H44 N16 Ni2 O8 -","2","0.25","","Feng, Shaoqiang; Xie, Fengxia; Wan, Chengan; Zhang, Feng; Feng, Lei; Wen, Chen; Liang, Xiaoqiang","Impact of the number of hydrogen bonds on proton conductivity in metallo-hydrogen-bonded organic frameworks: the more the number of hydrogen bonds, the better the proton conductivity at the maximum relative humidity","CrystEngComm","2024","26","35","4855","4870","10.1039/D4CE00480A","","","1.34138","GaKα","","0.0378","0.035","","","0.0845","0.0859","","","","","","1.084","","","","has coordinates","295230","2024-10-06","07:33:55",""
"7249174","7.9885","0.0004","21.6907","0.0012","18.2297","0.0012","90","","90","","90","","3158.8","0.3","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C14 H8 Eu N3 O11 -","- C14 H8 Eu N3 O11 -","- C112 H64 Eu8 N24 O88 -","8","1","","Sen, Charanjeet; Devi, Swaita; Niharika,; Bhagat, Nidhi; Sheikh, Haq Nawaz","Dual ligand based 3D Eu(iii) MOF as a multifunctional sensor for trace amounts of NACs, Cr3+ and Hg2+ in aqueous medium: synthesis, crystal structure and latent fingerprint detection","CrystEngComm","2024","26","36","5013","5029","10.1039/D4CE00621F","","","0.71073","MoKα","","0.0519","0.04","","","0.0977","0.1055","","","","","","1.0517","","","","has coordinates","295222","2024-10-06","07:32:43",""
"7249175","37.617","0.003","10.063","0.0007","10.2534","0.0007","90","","105.192","0.003","90","","3745.7","0.5","298","0.2","296.15","","","","","","","","","6","C 1 2 1","C 2y","5","","Fluoxetine sulfate","","- C34 H38 F6 N2 O6 S -","- C34 H38 F6 N2 O6 S -","- C136 H152 F24 N8 O24 S4 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.71073","MoKα","","0.1179","0.0828","","","0.2323","0.267","","","","","","1.035","","","","has coordinates,has disorder","295220","2024-10-06","07:32:17",""
"7249176","36.047","0.007","10.1156","0.0017","10.3307","0.0016","90","","106.07","0.011","90","","3619.8","1.1","100","","100","","","","","","","","","6","C 1 2 1","C 2y","5","","Fluoxetine sulfate hydrate","","- C17 H21 F3 N O3.97 S0.5 -","- C17 H21 F3 N O3.975 S0.5 -","- C136 H168 F24 N8 O31.8 S4 -","8","2","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.71073","MoKα","","0.1398","0.1315","","","0.2832","0.2879","","","","","","1.086","","","","has coordinates,has disorder","295220","2024-10-06","07:32:17",""
"7249177","6.08","0.0019","10.89","0.0016","27.6","0.003","90","","90","","90","","1827.4","0.7","100","0.2","100","0.2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-Fluoxetine tetrafluoroborate","","- C17 H19 B F7 N O -","- C17 H19 B F7 N O -","- C68 H76 B4 F28 N4 O4 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Fernandes, Christian","Spontaneous resolution of RS-fluoxetine through tetrafluoroborate conglomerate salt and racemic kryptoracemate formation via the sulfate ion","CrystEngComm","2024","26","36","4975","4984","10.1039/D4CE00643G","","","0.670185","synchrotron","","0.0322","0.032","","","0.0907","0.0909","","","","","","1.064","","","","has coordinates","295220","2024-10-06","07:32:17",""
"7249179","12.6993","0.0011","16.3312","0.0014","14.3395","0.0011","90","","100.32","0.003","90","","2925.8","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N3 O -","- C41 H29 N3 O -","- C164 H116 N12 O4 -","4","1","","Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich","Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices","CrystEngComm","2024","26","34","4698","4707","10.1039/D4CE00660G","","x-ray","0.71073","MoKα","","0.0505","0.04","","","0.0945","0.1005","","","","","","1.043","","","","has coordinates","294530","2024-09-06","00:19:57",""
"7249180","10.6202","0.0017","11.1341","0.0018","13.581","0.002","106.157","0.005","97.582","0.005","98.728","0.006","1498.7","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C41 H31 N3 O -","- C41 H31 N3 O -","- C82 H62 N6 O2 -","2","1","","Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich","Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices","CrystEngComm","2024","26","34","4698","4707","10.1039/D4CE00660G","","x-ray","0.71073","MoKα","","0.0688","0.0462","","","0.102","0.1131","","","","","","1.039","","","","has coordinates,has disorder","294530","2024-09-06","00:19:57",""
"7249181","9.0487","0.0004","16.0617","0.001","26.212","0.0016","90","","90","","90","","3809.6","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H41 Br N4 O6 S -","- C41 H41 Br N4 O6 S -","- C164 H164 Br4 N16 O24 S4 -","4","1","","Zhang, Xiaowen; Meng, Dongshuo; Zang, Zongwu; Xu, Zhiru; Liu, Yu","New bedaquiline salt with improved bioavailability and reduced food effect","CrystEngComm","2024","26","36","5071","5077","10.1039/D4CE00567H","","","0.71073","MoKα","","0.095","0.0514","","","0.082","0.0997","","","","","","0.998","","","","has coordinates","295223","2024-10-06","07:32:50",""
"7249182","14.2165","0.0003","6.2003","0.00011","28.4449","0.0005","90","","92.0239","0.0018","90","","2505.76","0.08","293","2","293","2","","","","","","","synthesized","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Co N8 O12 -","- C18 H31 Co N8 O12 -","- C72 H124 Co4 N32 O48 -","4","1","","Singh, Manjeet; Narang, Karan Kumar; Kaur, Yashpreet; Patra, Ranjan; Nanda, Prasant K.; Sahoo, Subash C.","Synthesis and characterization of a dual-stimuli-responsive cobalt(iii) complex: comparison of photo-/thermo-mechanical behaviour in crystal and polymer composites","CrystEngComm","2024","26","36","5004","5012","10.1039/D4CE00638K","","x-ray","0.71073","MoKα","","0.0587","0.0548","","","0.1295","0.1309","","","","","","1.163","","","","has coordinates,has disorder","295226","2024-10-06","07:33:23",""
"7249185","10.1722","0.0011","11.4638","0.0013","13.3885","0.0016","112.942","0.002","112.305","0.002","90.803","0.002","1305.9","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Co N6 O7 -","- C26 H16 Co N6 O4 -","- C52 H32 Co2 N12 O8 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.0429","0.0366","","","0.0934","0.0969","","","","","","1.0859","","","","has coordinates","295224","2024-10-06","07:33:02",""
"7249186","10.1872","0.0008","11.7035","0.0009","13.0008","0.001","113.549","0.001","110.346","0.001","90.932","0.001","1310.4","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Co N7 O5 -","- C29 H23 Co N7 O5 -","- C58 H46 Co2 N14 O10 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.039","0.0342","","","0.0903","0.0933","","","","","","1.054","","","","has coordinates,has disorder","295224","2024-10-06","07:33:02",""
"7249187","10.242","0.007","12.786","0.008","13.807","0.009","63.824","0.012","70.563","0.013","79.963","0.013","1529.4","1.7","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H24 Co N9 O5 -","- C35 H24 Co N9 O5 -","- C70 H48 Co2 N18 O10 -","2","1","","Feng, Jialin; Mu, Jianshuai; Liu, Zhengyu; Cheng, Lin; Li, Siyu; Cheng, Xin; Zhang, Shaowei; Meng, Xin; Wang, Ying","Solvent- and tatrz-induced single-crystal-to-single-crystal transformations within cobalt(ii)-triazole MOFs: a luminescent probe for frankincense","CrystEngComm","2024","26","36","4953","4957","10.1039/D4CE00360H","","","0.71073","MoKα","","0.1402","0.0731","","","0.1637","0.1961","","","","","","0.981","","","","has coordinates","295224","2024-10-06","07:33:02",""
"7249188","15.6623","0.001","8.77","0.0005","20.8453","0.0013","90","","99.843","0.001","90","","2821.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Co N6 O8 -","- C29 H24 Co N6 O8 -","- C116 H96 Co4 N24 O32 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.055","0.0386","","","0.0916","0.1028","","","","","","1.009","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249189","10.546","0.008","12.516","0.009","12.968","0.009","68.893","0.012","79.659","0.013","72.373","0.011","1517.1","1.9","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H31 Cu N5 O7 S -","- C32 H31 Cu N5 O7 S -","- C64 H62 Cu2 N10 O14 S2 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.2224","0.0969","","","0.2063","0.2647","","","","","","1.029","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249190","10.8462","0.0016","11.8643","0.0017","14.141","0.002","68.98","0.002","72.701","0.002","73.901","0.002","1591.8","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H34 Cu N4 O7 S -","- C33 H34 Cu N4 O7 S -","- C66 H68 Cu2 N8 O14 S2 -","2","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0445","0.0367","","","0.0941","0.0994","","","","","","1.02","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249191","11.1269","0.0011","14.2736","0.0014","19.7719","0.0019","90","","94.637","0.002","90","","3129.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Co N4 O6 -","- C36 H32 Co N4 O6 -","- C144 H128 Co4 N16 O24 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0328","0.0289","","","0.0727","0.0752","","","","","","1.049","","","","has coordinates,has disorder","295225","2024-10-06","07:33:15",""
"7249192","15.6033","0.0015","8.651","0.0008","20.8418","0.0018","90","","101.023","0.001","90","","2761.4","0.4","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N6 O8 Zn -","- C29 H24 N6 O8 Zn -","- C116 H96 N24 O32 Zn4 -","4","1","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0348","0.029","","","0.071","0.0743","","","","","","1.03","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249193","7.8426","0.0004","11.9237","0.0006","16.445","0.0009","89.791","0.001","87.687","0.001","73.487","0.001","1473.14","0.13","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H56 N12 Ni2 O16 -","- C62 H56 N12 Ni2 O16 -","- C62 H56 N12 Ni2 O16 -","1","0.5","","Zhao, Zhixiang; Yang, Yue; Hu, Linhai; Wang, Jianhua; Yu, Jie; Liu, Qingxiang","Six cobalt(ii), zinc(ii), nickel(ii) and copper(ii) complexes based on bis-benzimidazolyl bidentate ligands with phenolyl ether linkers: synthesis, structural studies and recognition of HSO4−","CrystEngComm","2024","26","36","5078","5089","10.1039/D4CE00553H","","","0.71073","MoKα","","0.0302","0.0276","","","0.0689","0.0704","","","","","","1.026","","","","has coordinates","295225","2024-10-06","07:33:15",""
"7249203","10.1343","0.0009","10.7473","0.0009","13.9008","0.0012","71.026","0.002","88.874","0.002","82.993","0.002","1420.7","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H28 Co N4 O8 -","- C29 H28 Co N4 O8 -","- C58 H56 Co2 N8 O16 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0914","0.0511","","","0.0948","0.1083","","","","","","1.009","","","","has coordinates","295221","2024-10-06","07:32:27",""
"7249204","9.834","0.004","11.041","0.005","11.166","0.005","85.008","0.01","76.029","0.011","85.758","0.011","1170.3","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Co N2 O8 -","- C23 H25 Co N2 O8 -","- C46 H50 Co2 N4 O16 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0815","0.0446","","","0.0843","0.0953","","","","","","1.007","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249205","27.7041","0.0011","9.3364","0.0004","10.62","0.0004","90","","95.3715","0.0013","90","","2734.87","0.19","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 Co N4 O8 -","- C29 H28 Co N4 O8 -","- C116 H112 Co4 N16 O32 -","4","0.5","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0575","0.0343","","","0.0795","0.0895","","","","","","1.027","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249206","11.4825","0.0004","21.8344","0.0006","11.8159","0.0004","90","","114.862","0.0009","90","","2687.86","0.15","107","2","107","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H24.5 Co N4 O6.25 -","- C29 H24.5 Co N4 O6.25 -","- C116 H98 Co4 N16 O25 -","4","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0731","0.0461","","","0.101","0.1126","","","","","","1.022","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249207","8.9391","0.0009","9.8609","0.001","17.51","0.0018","90","","93.993","0.002","90","","1539.7","0.3","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C29 H32 Co N4 O10 -","- C29 H32 Co N4 O10 -","- C58 H64 Co2 N8 O20 -","2","1","","Lee, Chia-Yi; Usman, Muhammad; Wang, Song-Wei; Thapa, Kedar Bahadur; Chen, Tsun-Ren; Chen, Jhy-Der","Designed synthesis of Co(ii) coordination polymers for evaluation of structural transformations","CrystEngComm","2024","26","36","5099","5107","10.1039/D4CE00723A","","","0.71073","MoKα","","0.0942","0.0515","","","0.0997","0.1134","","","","","","1.005","","","","has coordinates","295221","2024-10-06","07:32:28",""
"7249208","9.4075","0.0006","10.5966","0.0007","10.7909","0.0007","75.498","0.006","87.29","0.005","88.701","0.005","1040.21","0.12","117.4","0.14","117.4","0.14","","","","","","","","4","P -1","-P 1","2","","","","- C5 H3 N9 O6 -","- C5 H3 N9 O6 -","- C20 H12 N36 O24 -","4","2","","Dong, Wen-Shuai; Zhang, Chao; Xu, Mei-Qi; Lu, Zu-Jia; Li, Zhi-Min; Yu, Qi-Yao; Zhang, Jian-Guo","Asymmetric functionalized modification of bi(1,2,4-triazole) towards high-energy insensitive materials","CrystEngComm","2024","26","37","5202","5207","10.1039/D4CE00141A","","x-ray","0.71073","MoKα","","0.0539","0.0427","","","0.0953","0.1039","","","","","","1.07","","","","has coordinates","295216","2024-10-06","07:30:44",""
"7249209","8.8318","0.0004","14.6939","0.0006","16.5191","0.0007","85.383","0.0015","83.159","0.0016","77.5052","0.0014","2074.75","0.15","200","2","200","2","","","","","","","","5","P -1","-P 1","2","N,N-bis(9-phenyl-9H-xanthen-9-yl)butane-1,4-diamine","","","- C51 H42 Cl3 N2 O2 -","- C51 H42 Cl3 N2 O2 -","- C102 H84 Cl6 N4 O4 -","2","1","","Barnardo, Brandon; Barton, Benita; Hosten, Eric C.","Alternative separation strategy for o-/p-dichlorobenzene mixtures through supramolecular chemistry protocols","CrystEngComm","2024","26","35","4876","4885","10.1039/D4CE00684D","","","0.71073","MoKα","","0.0927","0.0576","","","0.1372","0.1807","","","","","","1.112","","","","has coordinates,has disorder","295229","2024-10-06","07:33:47",""
"7249210","10.3738","0.0007","8.305","0.0005","13.8405","0.0009","90","","103.676","0.002","90","","1158.61","0.13","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine","Azathioprine","","- C9 H7 N7 O2 S -","- C9 H7 N7 O2 S -","- C36 H28 N28 O8 S4 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.0751","0.0432","","","0.1107","0.1284","","","","","","1.054","","","","has coordinates","295217","2024-10-06","07:30:57",""
"7249211","4.5053","0.0003","25.0747","0.0013","24.4596","0.0013","90","","91.789","0.002","90","","2761.8","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine monohydrate","Azathioprine monohydrate","","- C9 H7 N7 O3 S -","- C9 H7 N7 O3 S -","- C72 H56 N56 O24 S8 -","8","2","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.11","0.0661","","","0.1855","0.2204","","","","","","1.03","","","","has coordinates,has disorder","295217","2024-10-06","07:30:58",""
"7249212","4.4622","0.0008","15.295","0.002","19.852","0.003","90","","92.035","0.011","90","","1354","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine-hemidioxane solvate","Azathioprine-hemidioxane solvate","","- C11 H11 N7 O3 S -","- C11 H11 N7 O3 S -","- C44 H44 N28 O12 S4 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.1192","0.0594","","","0.1333","0.1569","","","","","","0.991","","","","has coordinates,has disorder","295217","2024-10-06","07:30:58",""
"7249213","4.379","0.0004","25.0168","0.0019","24.5692","0.0018","90","","91.152","0.006","90","","2691","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Azathioprine-2-methoxyethanol hydrate","Azathioprine-2-methoxyethanol hydrate","","- C21 H24 N14 O7 S2 -","- C21 H24 N14 O7 S2 -","- C84 H96 N56 O28 S8 -","4","1","","Kalavalapudi, Likhitha; Palani, Sivanarayanan; Nechipadappu, Sunil Kumar","Serendipitous discovery of a novel polymorph of an immunosuppressant drug azathioprine: phase transformation, solubility, dissolution and stability study","CrystEngComm","2024","26","37","5187","5201","10.1039/D4CE00589A","","","0.71073","MoKα","","0.1609","0.0703","","","0.1438","0.1768","","","","","","0.99","","","","has coordinates","295217","2024-10-06","07:30:58",""
"7249218","11.2957","0.0012","12.2233","0.0012","24.689","0.003","75.969","0.005","89.341","0.006","62.754","0.004","2920.6","0.6","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H75 Br N2 O10 -","- C62 H75 Br N2 O10 -","- C124 H150 Br2 N4 O20 -","2","1","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","0.71075","MoKα","","0.2748","0.1037","","","0.2568","0.3433","","","","","","1.007","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249219","20.9763","0.0019","12.9809","0.001","24.889","0.002","90","","106.73","0.008","90","","6490.2","1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C124 H146 Br2 Cl12 O21 -","- C124 H146 Br2 Cl12 O21 -","- C248 H292 Br4 Cl24 O42 -","2","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","0.71075","MoKα","","0.1962","0.0896","","","0.2477","0.315","","","","","","0.983","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249220","19.657","0.0004","16.4198","0.0003","37.8697","0.0007","90","","90.498","0.001","90","","12222.5","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H81 Br N2 O12 -","- C62 H81 Br N2 O12 -","- C496 H648 Br8 N16 O96 -","8","1","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.0588","0.0543","","","0.1602","0.1656","","","","","","1.032","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249221","19.665","0.002","16.584","0.002","38.621","0.004","90","","91.573","0.006","90","","12591","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C127 H154 Br2 N5 O20 -","- C127 H154 Br2 N5 O20 -","- C508 H616 Br8 N20 O80 -","4","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.1349","0.1121","","","0.3233","0.3467","","","","","","1.591","","","","has coordinates,has disorder","295215","2024-10-06","07:30:37",""
"7249222","19.6591","0.0004","16.4212","0.0004","37.8641","0.0008","90","","90.487","0.001","90","","12223.1","0.5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C245 H317 Br4 N7 O47 -","- C245 H317 Br4 N7 O47 -","- C490 H634 Br8 N14 O94 -","2","0.5","","Vinodh, Mickey; Al-Azemi, Talal F.","Solvent-induced supramolecular self-assembly in a solid-state A1/A2-difunctionlized pillar[5]arene host","CrystEngComm","2024","26","37","5138","5143","10.1039/D4CE00771A","","","1.54178","CuKα","","0.0634","0.057","","","0.1739","0.1868","","","","","","1.039","","","","has coordinates","295215","2024-10-06","07:30:37",""
"7249228","17.628","0.0006","15.8038","0.0008","15.6293","0.0014","90","","90","","90","","4354.2","0.5","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 N5 O6 Zn -","- C18.997 H17.996 N5 O6 Zn -","- C151.976 H143.968 N40 O48 Zn8 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","x-ray","0.71073","MoKα","","0.0648","0.0537","","","0.165","0.1722","","","","","","1.098","","","","has coordinates,has disorder","295219","2024-10-06","07:31:57",""
"7249229","17.449","0.008","15.828","0.003","15.959","0.013","90","","90","","90","","4408","4","140","2","140","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C19 H19 Co N5 O6 -","- C19 H18 Co N5 O6 -","- C152 H144 Co8 N40 O48 -","8","0.5","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.1374","0.0779","","","0.2281","0.2727","","","","","","0.902","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7249230","32.038","0.017","15.774","0.011","17.871","0.006","90","","90","","90","","9031","8","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C19 H21 Br N4 O5 Zn -","- C19 H18.375 Br N4 O4 Zn -","- C304 H294 Br16 N64 O64 Zn16 -","16","2","","Burlak, Pavel V.; Samsonenko, Denis G.; Kovalenko, Konstantin A.; Fedin, Vladimir P.","Structural polymorphism and luminescence properties of zinc(ii) and cobalt(ii) MOFs with rigid and flexible ligands","CrystEngComm","2024","26","36","5039","5045","10.1039/D4CE00573B","","","0.79313","synchrotron","","0.2196","0.1342","","","0.3947","0.4501","","","","","","1.03","","","","has coordinates,has disorder","295219","2024-10-06","07:31:58",""
"7249231","7.754","0.0016","9.506","0.0019","24.648","0.005","90","","96.48","0.03","90","","1805.2","0.6","221","2","221","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H15 N3 O -","- C23 H15 N3 O -","- C92 H60 N12 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.0916","0.053","","","0.1165","0.1311","","","","","","1.008","","","","has coordinates","295214","2024-10-06","07:30:03",""
"7249232","17.95","0.004","18.111","0.004","14.354","0.003","90","","123.79","0.03","90","","3878","2","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H20 N2 O3 -","- C25 H20 N2 O3 -","- C200 H160 N16 O24 -","8","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.062","0.0454","","","0.1152","0.1241","","","","","","1.049","","","","has coordinates","295214","2024-10-06","07:30:12",""
"7249233","12.001","0.002","12.848","0.003","15.283","0.003","67.14","0.03","84.08","0.03","70.78","0.03","2049.5","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H17 N3 O2 -","- C23 H17 N3 O2 -","- C92 H68 N12 O8 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Self-reversible mechanofluorochromic AIEgens with tunable solid-state fluorescence: effect of acceptors and intermolecular interactions","CrystEngComm","2024","26","37","5241","5248","10.1039/D4CE00729H","","","0.63","synchrotron","","0.1592","0.0735","","","0.2089","0.2533","","","","","","0.916","","","","has coordinates","295214","2024-10-06","07:30:13",""
"7249234","7.3616","0.0004","14.2632","0.0006","19.3471","0.0008","90","","90","","90","","2031.44","0.16","273.15","","273.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H4 N22 O2 Pb3 -","- C8 H4 N22 O2 Pb3 -","- C32 H16 N88 O8 Pb12 -","4","0.5","","Li, Shu-Xian; Bi, Chong-Yuan; Wang, Yu-Chen; Yang, Hong-Kun; Yu, Yang; Jing, Zhihong; He, Yuan-Chun","Two novel emissive Pb(ii) coordination polymers: syntheses, structures, properties and WLED application","CrystEngComm","2024","26","35","4848","4854","10.1039/D4CE00607K","","","0.71073","MoKα","","0.0728","0.0523","","","0.1535","0.1696","","","","","","1.088","","","","has coordinates,has disorder","295228","2024-10-06","07:33:39",""
"7249235","11.0514","0.0006","8.226","0.0006","19.8646","0.0012","90","","90.055","0.002","90","","1805.9","0.2","293.15","","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N22 O3 Pb -","- C8 H10 N22 O3 Pb -","- C32 H40 N88 O12 Pb4 -","4","0.5","","Li, Shu-Xian; Bi, Chong-Yuan; Wang, Yu-Chen; Yang, Hong-Kun; Yu, Yang; Jing, Zhihong; He, Yuan-Chun","Two novel emissive Pb(ii) coordination polymers: syntheses, structures, properties and WLED application","CrystEngComm","2024","26","35","4848","4854","10.1039/D4CE00607K","","","0.71073","MoKα","","0.0392","0.0384","","","0.0982","0.0985","","","","","","1.219","","","","has coordinates","295228","2024-10-06","07:33:40",""
"7249237","13.3139","0.0006","13.6689","0.0006","19.2341","0.0009","86.6362","0.0008","88.2811","0.0008","76.7955","0.0007","3401.4","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H62 Cd3 N8 O20 -","- C46 H18 Cd3 O20 -","- C92 H36 Cd6 O40 -","2","1","","Lan, Xue; Yang, Li; Wang, Jun; Lu, Lu; Muddassir, Mohd.; Srivastava, Devyani; Kushwaha, Aparna; Kumar, Abhinav; Pan, Ying","A new Cd(ii)-based MOF displaying flu topology as a highly sensitive and selective photoluminescent sensor for ferric and chromate ions","CrystEngComm","2024","26","38","5371","5379","10.1039/D4CE00645C","","","0.71073","MoKα","","0.0375","0.0287","","","0.0715","0.075","","","","","","1.014","","","","has coordinates","295235","2024-10-06","07:35:37",""
"7249238","21.889","0.002","18.2804","0.0018","23.621","0.002","90","","90","","90","","9451.7","1.5","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 F18 N6 O10 Tb -","- C38 H36 F18 N6 O10 Tb -","- C304 H288 F144 N48 O80 Tb8 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.0311","0.0256","","","0.0626","0.066","","","","","","1.039","","","","has coordinates,has disorder","295234","2024-10-06","07:35:25",""
"7249239","20.971","0.003","18.677","0.003","21.585","0.003","90","","90","","90","","8454","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F18 N6 O8 Pr -","- C34 H24 F18 N6 O8 Pr -","- C272 H192 F144 N48 O64 Pr8 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.1559","0.0959","","","0.2248","0.3042","","","","","","1.211","","","","has coordinates","295234","2024-10-06","07:35:26",""
"7249240","20.994","0.005","18.661","0.004","21.608","0.005","90","","90","0.007","90","","8465","3","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H24 F18 N6 Nd O8 -","- C34 H24 F18 N6 Nd O8 -","- C272 H192 F144 N48 Nd8 O64 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.1078","0.0536","","","0.1209","0.1646","","","","","","1.152","","","","has coordinates","295234","2024-10-06","07:35:28",""
"7249241","21.8966","0.0011","18.2508","0.001","23.5379","0.0013","90","","90","","90","","9406.5","0.9","113","","113","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H36 Dy F18 N6 O10 -","- C38 H36 Dy F18 N6 O10 -","- C304 H288 Dy8 F144 N48 O80 -","8","1","","Sun, Juan; Fang, Yuqing; Liao, Sisi; Luo, Tong; Gao, Shixun; Qiao, Zhenhua; Yang, Jie","2p–4f one-dimensional chains and two-dimensional networks assembled by a multicoordinating nitronyl nitroxide radical ligand","CrystEngComm","2024","26","38","5351","5357","10.1039/D4CE00764F","","","0.71073","MoKα","","0.0361","0.0313","","","0.0885","0.0906","","","","","","1.063","","","","has coordinates,has disorder","295234","2024-10-06","07:35:28",""
"7249249","19.8615","0.0012","17.7218","0.001","17.2448","0.0012","90","","90","","90","","6069.9","0.7","150","","150","","","","","","","","","6","C m c m","-C 2c 2","63","","","","- C54 H48 Cl2 N3 O21 Zr6 -","- C54 H48 Cl2 N3 O21 Zr6 -","- C216 H192 Cl8 N12 O84 Zr24 -","4","0.25","","Xu, Ting-Ting; Wei, De-Sheng; Li, Shuang-Bao; Zhang, Yu-Teng; Lv, Nan","One-step synthesis of pure-phase amino-functionalized zirconium-based capsule ZrC-1-NH2 for photocatalytic degradation of tetracycline","CrystEngComm","2024","26","38","5431","5439","10.1039/D4CE00721B","","","1.34139","GaKα","","0.0716","0.068","","","0.1991","0.2027","","","","","","1.046","","","","has coordinates","295236","2024-10-06","07:35:45",""
"7249250","17.9102","0.0006","7.1842","0.0003","18.6886","0.0007","90","","103.454","0.002","90","","2338.68","0.15","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H16 N4 O2 -","- C33 H16 N4 O2 -","- C132 H64 N16 O8 -","4","1","","Zhang, Jiacheng; Yao, Lei; Li, Wenju; Zhang, Yongyi; Jin, Tao; Wang, Guan; Zhang, Jing; Zhao, Jianfeng","Red luminescent helical ribbons based on a non-polar charge-transfer complex","CrystEngComm","2024","26","35","4777","4781","10.1039/D4CE00733F","","","1.54178","CuKα","","0.073","0.0491","","","0.121","0.1371","","","","","","1.025","","","","has coordinates","295231","2024-10-06","07:34:02",""
"7249251","6.5962","0.0001","9.2091","0.0002","42.8057","0.0008","90","","93.645","0.001","90","","2594.98","0.08","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N2 S2 -","- C29 H18 F6 N2 S2 -","- C116 H72 F24 N8 S8 -","4","1","","Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group","CrystEngComm","2024","26","36","5090","5098","10.1039/D4CE00717D","","","0.71073","MoKa","","0.0535","0.0482","","","0.1303","0.1329","","","","","","1.04","","","","has coordinates,has disorder","295227","2024-10-06","07:33:31",""
"7249252","6.5925","0.0001","9.2167","0.0002","42.8136","0.0009","90","","93.633","0.001","90","","2596.17","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 F6 N2 S2 -","- C29 H18 F6 N2 S2 -","- C116 H72 F24 N8 S8 -","4","1","","Shiromae, Ryotaro; Nakagawa, Yuma; Watanabe, Shota; Nishimura, Ryo; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Uchida, Kingo","Reversible change of luster color from pale yellow to wine red in microcrystalline film by photochromic diarylethene having a naphthyl group","CrystEngComm","2024","26","36","5090","5098","10.1039/D4CE00717D","","","0.71073","MoKa","","0.0623","0.0555","","","0.156","0.1591","","","","","","1.067","","","","has coordinates,has disorder","295227","2024-10-06","07:33:31",""
"7249264","19.6427","0.0017","18.5826","0.0016","8.2741","0.0006","90","","90","","90","","3020.1","0.4","100","2","100","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0388","0.0365","","","0.096","0.0985","","","","","","1.051","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249265","19.6451","0.0012","18.8313","0.0011","8.3108","0.0004","90","","90","","90","","3074.5","0.3","200","2","200","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0515","0.0448","","","0.1205","0.1273","","","","","","1.044","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249266","19.6437","0.0013","18.7051","0.0012","8.2918","0.0005","90","","90","","90","","3046.7","0.3","150","2","150","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.045","0.0414","","","0.1091","0.1125","","","","","","1.082","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249267","19.6354","0.0011","18.9619","0.001","8.3324","0.0004","90","","90","","90","","3102.4","0.3","250","2","250","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0593","0.0469","","","0.124","0.1359","","","","","","1.047","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249268","19.6266","0.001","19.0995","0.0009","8.357","0.0004","90","","90","","90","","3132.7","0.3","300","2","300","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0638","0.051","","","0.1446","0.1587","","","","","","1.089","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249269","19.6202","0.0013","19.2474","0.0012","8.3912","0.0005","90","","90","","90","","3168.8","0.3","350","2","350","2","","","","","","","","3","A e a 2","A 2 -2ab","41","","1,1?-(octa-1,3,5,7-tetrayne-1,8-diyl)dicyclopentanol","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Sethi, Tapaswini; Das, Dinabandhu","Switching from positive to negative thermal expansion in a tetrayne-diol compound","CrystEngComm","2024","26","37","5133","5137","10.1039/D4CE00703D","","","0.71073","MoKα","","0.0799","0.0572","","","0.1607","0.1822","","","","","","1.063","","","","has coordinates","295213","2024-10-06","07:29:48",""
"7249287","11.7197","0.0002","12.7121","0.0002","17.4599","0.0003","74.413","0.002","71.436","0.002","86.54","0.001","2374.28","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C96 H88 Dy2 N10 O46 -","- C96 H88 Dy2 N10 O46 -","- C96 H88 Dy2 N10 O46 -","1","0.5","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","","0.71073","MoKα","","0.0489","0.0398","","","0.1018","0.1059","","","","","","1.072","","","","has coordinates,has disorder","295232","2024-10-06","07:34:18",""
"7249288","8.877","0.0003","37.7347","0.0009","8.9024","0.0004","90","","119.789","0.005","90","","2588","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Dy N2 O14 -","- C28 H19 Dy N2 O14 -","- C112 H76 Dy4 N8 O56 -","4","1","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","x-ray","0.71073","MoKα","","0.0483","0.0382","","","0.0738","0.0768","","","","","","1.124","","","","has coordinates","295232","2024-10-06","07:34:18",""
"7249289","11.554","0.0002","12.8863","0.0002","19.4414","0.0003","83.021","0.001","74.564","0.002","84.63","0.001","2763.83","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H58 Dy N7 O25 -","- C54 H58 Dy N7 O25 -","- C108 H116 Dy2 N14 O50 -","2","1","","Chen, Jia-Ting; Kuang, Xiao-Man; Li, You-Hong; Zhong, Yun-Jing; Zhang, Hui; Su, Jia-Yin; Chen, Wen-Bin; Dong, Wen","Syntheses, structures and magnetic properties of three dinuclear, one-dimensional and two-dimensional dysprosium(iii) complexes based on naphthalene diimide salicylic acid","CrystEngComm","2024","26","38","5461","5468","10.1039/D4CE00751D","","x-ray","1.54184","CuKα","","0.0588","0.0514","","","0.1348","0.1396","","","","","","1.054","","","","has coordinates,has disorder","295232","2024-10-06","07:34:18",""
"7249292","7.1863","0.0006","12.593","0.0011","12.7172","0.0008","73.565","0.007","88.489","0.006","82.365","0.007","1093.98","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","nitropentaamminecobalt(III)-nitro-nitritopentaamminecobalt(III)tri-iodidechloride(nitrito-deficient)","nitropentaamminecobalt(III)-nitro-nitritopentaamminecobalt(III)tri-iodidechloride(nitrito-deficient)","","- Cl Co2 H30 I3 N12 O4 -","- Cl Co2 H30 I3 N12 O4 -","- Cl2 Co4 H60 I6 N24 O8 -","2","1","","Kalinina, Polina P.; Zakharov, Boris A.","Unusual linkage photoisomerization in [Co(NH3)2NO2]2I3Cl single crystals","CrystEngComm","2024","26","36","4958","4963","10.1039/D4CE00734D","","","0.71073","MoKα","","0.0617","0.0415","","","0.0966","0.1035","","","","","","1.032","","","","has coordinates,has disorder","295218","2024-10-06","07:31:44",""
"7249293","7.184","0.0003","12.5765","0.0004","12.7925","0.0004","72.667","0.003","88.833","0.003","82.125","0.003","1092.65","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","di-pentaamminenitrocobalt(III)tri-iodidechloride","di-pentaamminenitrocobalt(III)tri-iodidechloride","","- Cl Co2 H30 I3 N12 O4 -","- Cl Co2 H30 I3 N12 O4 -","- Cl2 Co4 H60 I6 N24 O8 -","2","1","","Kalinina, Polina P.; Zakharov, Boris A.","Unusual linkage photoisomerization in [Co(NH3)2NO2]2I3Cl single crystals","CrystEngComm","2024","26","36","4958","4963","10.1039/D4CE00734D","","","0.71073","MoKα","","0.0359","0.0268","","","0.061","0.071","","","","","","1.11","","","","has coordinates","295218","2024-10-06","07:31:45",""
"7249299","11.3262","0.0017","15.883","0.002","16.168","0.002","90","","109.122","0.006","90","","2748","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H60 Br4 N4 O8 -","- C62 H60 Br4 N4 O8 -","- C124 H120 Br8 N8 O16 -","2","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0369","0.0345","","","0.0924","0.0945","","","","","","1.026","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249300","10.8936","0.001","11.346","0.001","12.0159","0.0011","68.692","0.004","89.676","0.004","86.232","0.004","1380.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Br4 N4 O12 -","- C62 H60 Br4 N4 O12 -","- C62 H60 Br4 N4 O12 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0509","0.0482","","","0.1331","0.1358","","","","","","1.041","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249301","10.7974","0.0015","11.3923","0.0016","12.1371","0.0017","67.421","0.004","88.195","0.005","85.102","0.004","1373.5","0.3","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Br4 N4 O10 -","- C52 H44 Br4 N4 O4 -","- C52 H44 Br4 N4 O4 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0317","0.0298","","","0.081","0.0822","","","","","","1.057","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249302","10.7974","0.0015","11.3923","0.0016","12.1371","0.0017","67.421","0.004","88.195","0.005","85.102","0.004","1373.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60.84 H58.15 Br4 N4 O9.3 -","- C60.84 H58.144 Br4 N4 O9.304 -","- C60.84 H58.144 Br4 N4 O9.304 -","1","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0574","0.055","","","0.1591","0.161","","","","","","1.087","","","","has coordinates,has disorder","295238","2024-10-06","07:36:11",""
"7249303","11.6223","0.0018","15.384","0.002","15.956","0.003","90","","109.037","0.005","90","","2696.9","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Br4 N4 O8 -","- C60 H60 Br4 N4 O8 -","- C120 H120 Br8 N8 O16 -","2","0.5","","Shinkawa, Shoyo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Tominaga, Masahide","Dimeric structures of ketones and esters in porous adaptive crystals of adamantane-containing macrocycle","CrystEngComm","2024","26","38","5358","5363","10.1039/D4CE00718B","","","1.54178","CuKα","","0.0342","0.0328","","","0.091","0.0927","","","","","","1.06","","","","has coordinates","295238","2024-10-06","07:36:11",""
"7249304","24.8694","0.0003","7.34027","0.00012","15.1137","0.0002","90","","102.084","0.0013","90","","2697.84","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F3 I N2 -","- C14 H8 F3 I N2 -","- C112 H64 F24 I8 N16 -","8","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","x-ray","1.54184","CuKα","","0.0494","0.0455","","","0.1178","0.1224","","","","","","1.102","","","","has coordinates,has disorder","295237","2024-10-06","07:35:55",""
"7249305","7.4481","0.0003","12.5608","0.0007","13.0832","0.0008","90","","90","","90","","1223.99","0.11","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H12 N2 -","- C17 H12 N2 -","- C68 H48 N8 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","x-ray","1.54184","CuKα","","0.0507","0.0401","","","0.0968","0.1043","","","","","","1.059","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249306","8.8835","0.0011","8.8835","0.0011","14.4","0.002","90","","90","","90","","1136.4","0.3","293","2","293","2","","","","","","","","3","P 41","P 4w","76","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","","1.54184","CuKα","","0.0508","0.0392","","","0.1048","0.1181","","","","","","1.051","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249307","7.2378","0.001","11.8288","0.0014","12.7296","0.0017","90","","92.175","0.005","90","","1089.1","0.2","300","","300","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 N3 -","- C14 H9 N3 -","- C56 H36 N12 -","4","1","","Li, Haonan; Gao, Chenping; Li, Zhibin; Guo, Yanchun; Cao, Shuxia; Zhao, Yufen","Structural insight into imidazopyridines and benzimidazoles: the importance of the hydrogen bond, π-stacking interactions and intramolecular charge transfer effect for fluorescence","CrystEngComm","2024","26","38","5380","5392","10.1039/D4CE00714J","","","0.71073","MoKα","","0.0455","0.0356","","","0.0874","0.0935","","","","","","1.107","","","","has coordinates","295237","2024-10-06","07:35:56",""
"7249319","8.1008","0.0007","8.2512","0.0006","10.7542","0.0008","76.846","0.006","78.005","0.007","89.406","0.006","684.17","0.1","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 F8 I4 O4 -","- C20 H16 F8 I4 O4 -","- C20 H16 F8 I4 O4 -","1","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0534","0.0377","","","0.0685","0.0776","","","","","","1.042","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249320","12.3775","0.0018","7.6176","0.001","22.623","0.003","90","","100.287","0.013","90","","2098.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 F4 I2 O5 -","- C16 H20 F4 I2 O5 -","- C64 H80 F16 I8 O20 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.1262","0.0878","","","0.246","0.3317","","","","","","1.128","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249321","14.2455","0.0005","10.6548","0.0005","15.5033","0.0005","90","","94.012","0.003","90","","2347.37","0.16","296","2","296","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C18 H24 F4 I2 O6 -","- C18 H24 F4 I2 O6 -","- C72 H96 F16 I8 O24 -","4","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0317","0.0268","","","0.0524","0.0544","","","","","","1.059","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249322","9.7355","0.0006","12.4217","0.0007","18.1787","0.0011","88.582","0.005","80.631","0.005","78.136","0.005","2122.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 F8 I4 O10 -","- C32 H40 F8 I4 O10 -","- C64 H80 F16 I8 O20 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.093","0.0607","","","0.1542","0.1778","","","","","","1.033","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249323","7.6327","0.0005","8.0627","0.0006","15.0373","0.0012","88.107","0.006","77.223","0.006","89.966","0.006","901.97","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 F8 I4 O10 -","- C24 H32 F8 I4 O10 -","- C24 H32 F8 I4 O10 -","1","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0601","0.0419","","","0.0885","0.0957","","","","","","1.11","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249324","7.5395","0.0006","8.6077","0.0007","12.2413","0.001","94.007","0.007","103.778","0.007","113.576","0.007","694.9","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 F4 I2 O2 -","- C10 H8 F4 I2 O2 -","- C20 H16 F8 I4 O4 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0609","0.041","","","0.0819","0.0966","","","","","","1.056","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249325","4.6368","0.0005","29.139","0.004","7.3508","0.0006","90","","97.411","0.009","90","","984.88","0.19","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 F3 I3 O4 -","- C14 H16 F3 I3 O4 -","- C28 H32 F6 I6 O8 -","2","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.08","0.0531","","","0.0957","0.1101","","","","","","1.078","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249326","7.5332","0.0005","13.18","0.0008","14.1357","0.0008","105.855","0.005","91.408","0.005","103.061","0.005","1309.59","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H30 F4 I2 O9 -","- C18 H30 F4 I2 O9 -","- C36 H60 F8 I4 O18 -","2","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","1.54184","CuKα","","0.0677","0.0572","","","0.1499","0.1642","","","","","","1.026","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249327","12.0376","0.0004","15.4508","0.0008","7.5142","0.0003","90","","95.12","0.003","90","","1391.99","0.1","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 F4 I2 O2 -","- C10 H8 F4 I2 O2 -","- C40 H32 F16 I8 O8 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0615","0.0439","","","0.0858","0.0949","","","","","","1.06","","","","has coordinates,has disorder","295233","2024-10-06","07:34:47",""
"7249328","16.1779","0.0009","8.4631","0.0004","25.3518","0.0015","90","","105.819","0.006","90","","3339.6","0.3","295","2","295.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C22 H19 F6 I6 O5 -","- C22 H20 F6 I6 O5 -","- C88 H80 F24 I24 O20 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0432","0.0388","","","0.0902","0.0949","","","","","","1.05","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249329","7.481","0.0005","22.1452","0.0019","14.686","0.0011","90","","103.285","0.007","90","","2367.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 F4 I2 O7 -","- C16 H24 F4 I2 O7 -","- C64 H96 F16 I8 O28 -","4","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","x-ray","0.71073","MoKα","","0.0865","0.0594","","","0.1128","0.1279","","","","","","1.024","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249330","7.854","0.0006","15.3678","0.0014","27.2763","0.0016","90","","90","","90","","3292.2","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 F4 I2 O3 -","- C12 H12 F4 I2 O3 -","- C96 H96 F32 I16 O24 -","8","1","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0665","0.049","","","0.0987","0.1059","","","","","","1.133","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249331","8.5263","0.0006","25.6556","0.0016","8.8944","0.0005","90","","115.244","0.008","90","","1759.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 F6 I6 O6 -","- C24 H24 F6 I6 O6 -","- C48 H48 F12 I12 O12 -","2","0.5","","Wang, Weizhou; Ji, Baoming","The C–I⋯O halogen bonding in crown ether chemistry","CrystEngComm","2024","26","38","5309","5313","10.1039/D4CE00853G","","","0.71073","MoKα","","0.0815","0.0629","","","0.151","0.1642","","","","","","1.0778","","","","has coordinates","295233","2024-10-06","07:34:47",""
"7249532","15.637","0.008","15.719","0.005","15.754","0.006","60.328","0.011","65.25","0.04","82.83","0.03","3039","2","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H102 N6 O50 P8 V12 -","- C70 H102 N6 O50 P8 V12 -","- C70 H102 N6 O50 P8 V12 -","1","0.5","","Huang, Li; Yang, Yufan; Yu, Xiaoyang; Li, Xiaonan; Shen, Yuan; Song, Runhong; Zhang, Hong","Two polyoxovanadates for visible light driven photocatalytic performance","CrystEngComm","2024","26","43","6226","6234","10.1039/D4CE00494A","","","1.54178","CuKα","","0.1224","0.0763","","","0.1951","0.2208","","","","","","1.034","","","","has coordinates","295759","2024-11-04","14:37:49",""
"7249533","21.11","0.004","25.413","0.004","26.005","0.005","90","","90.082","0.006","90","","13951","4","295","2","294.85","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H104 N8 O56 P8 V16 -","- C63.9998 H103.999 N7.9999 O56 P8 V16 -","- C255.999 H415.997 N31.9996 O224 P32 V64 -","4","1","","Huang, Li; Yang, Yufan; Yu, Xiaoyang; Li, Xiaonan; Shen, Yuan; Song, Runhong; Zhang, Hong","Two polyoxovanadates for visible light driven photocatalytic performance","CrystEngComm","2024","26","43","6226","6234","10.1039/D4CE00494A","","","0.71073","MoKα","","0.1338","0.0804","","","0.2105","0.2472","","","","","","1.039","","","","has coordinates","295759","2024-11-04","14:37:50",""