# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T10:43:45+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of Materials') AND volume = 13 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1004029","18.035","0.018","10.513","0.011","14.293","0.011","90","","90","","90","","2710","4.4","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C5 H16 Ga6 N2 O27 P6 -","- C5 H16 Ga6 N2 O27 P6 -","- C20 H64 Ga24 N8 O108 P24 -","4","","","Josien, L.; Simon, A.; Gramlich, V.; Patarin, J.","Synthesis and characterization of the new hydroxygallophosphate Mu-18 with a framework topology closely related to that of the hydroxyaluminophosphate AlPO~4^-^~EN3","Chemistry of Materials","2001","13","4","1305","1311","10.1021/cm001199h","","","1.54178","CuKα","","0.0366","0.0364","","0.1045","0.1041","","","","1.094","1.095","1.095","","","","","has coordinates","178246","2020-10-21","18:00:00",""
"4000031","10.1661","0.0006","10.1661","0.0006","5.9306","0.0004","90","","90","","120","","530.81","0.06","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Ba3 O3 S4 V2 -","- Ba3 O3 S4 V2 -","- Ba6 O6 S8 V4 -","2","0.333333","","Calvagna, Frank; Zhang, Jianhua; Li, Shoujian; Zheng, Chong","Synthesis and Structural Analysis of Ba3V2O3S4","Chemistry of Materials","2001","13","2","304","307","10.1021/cm000350k","","","0.71073","MoKα","","0.0444","0.0318","","","0.055","0.0604","","","","","","1.206","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000032","10.18","0.0006","15.8992","0.0009","23.2271","0.0012","90","","90","","90","","3759.4","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H56 N10 O29 P6 Ti3 -","- C10 H35 N10 O29 P6 Ti3 -","- C40 H140 N40 O116 P24 Ti12 -","4","1","","Guo, Yanghong; Shi, Zhan; Yu, Jihong; Wang, Jidong; Liu, Yunling; Bai, Ni; Pang, Wenqin","Solvothermal Synthesis and Characterization of a New Titanium Phosphate with a One-Dimensional Chiral Chain","Chemistry of Materials","2001","13","1","203","207","10.1021/cm000642l","","","0.71073","MoKα","","0.0603","0.0461","","","0.1132","0.1199","","","","","","1.062","","","","has coordinates","178255","2020-10-21","18:00:00",""
"4000033","15.93","0.004","15.93","0.004","21.213","0.005","90","","90","","90","","5383","2","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Eu14 Mn P11 -","- Eu14 Mn P11 -","- Eu112 Mn8 P88 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.039","0.0279","","","0.0483","0.0513","","","","","","0.968","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000034","16.318","0.002","16.318","0.002","21.684","0.004","90","","90","","90","","5773.7","1.6","130","2","130","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- As11 Eu14 Mn -","- As11 Eu14 Mn -","- As88 Eu112 Mn8 -","8","0.25","","Payne, Amy C.; Olmstead, Marilyn M.; Kauzlarich, Susan M.; Webb, David J.","Structure, Magnetism, and Magnetoresistance of the Compounds Eu~14~MnAs~11~ and Eu~14~MnP~11~","Chemistry of Materials","2001","13","4","1398","1406","10.1021/cm0007050","","","0.71073","MoKα","","0.0788","0.0459","","","0.0781","0.0887","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000035","7.7102","0.0002","9.4112","0.0002","16.2819","0.0004","94.259","0.001","99.989","0.001","100.99","0.002","1135.14","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H22 Cr Gd N8 O6 -","- C12 H20 Cr Gd N8 O6 -","- C24 H40 Cr2 Gd2 N16 O12 -","2","1","","Kou, Hui-Zhong; Gao, Song; Sun, Bai-Wang; Zhang, Jing","Metamagnetism of the First Cyano-Bridged Two-Dimensional Brick-Wall-like 4f‒3d Array","Chemistry of Materials","2001","13","5","1431","1433","10.1021/cm000889i","","","0.71073","MoKα","","0.0423","0.0392","","","0.1022","0.104","","","","","","1.136","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000036","5.6171","0.0005","7.7555","0.0001","18.185","0.002","90","","94.719","0.01","90","","789.52","0.09","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H16 N2 O4 -","- C18 H16 N2 O4 -","- C36 H32 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000037","5.3737","0.0008","7.9572","0.0001","20.561","0.004","90.001","0.01","97.938","0.01","89.98","0.02","870.7","0.2","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C40 H36 N4 O8 -","2","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000038","37.17","0.003","5.6947","0.0004","7.6038","0.0006","90","0.005","90","0.005","90","0.005","1609.5","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H13 N3 O4 -","- C18 H13 N3 O4 -","- C72 H52 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000039","41.576","0.003","5.4115","0.0002","7.8364","0.0006","90","0.005","90","0.005","90","0.005","1763.1","0.2","296.2","","296.2","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O4 -","- C20 H15 N3 O4 -","- C80 H60 N12 O16 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000040","14.0195","0.0005","8.1263","0.0004","15.0153","0.0006","90","","108.207","0.002","90","","1625","0.11","296.2","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H13 N3 O6 -","- C17 H13 N3 O6 -","- C68 H52 N12 O24 -","4","1","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000041","12.305","0.002","5.642","0.0007","25.979","0.004","90","","103.401","0.005","90","","1754.5","0.4","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H15 N3 O6 -","- C19 H14 N3 O6 -","- C76 H56 N12 O24 -","4","2","","Muthuraman, Meiyappan; Masse, René; Nicoud, Jean-François; Desiraju, Gautam R.","Molecular Complexation as a Design Tool in the Crystal Engineering of Noncentrosymmetric Structures. Ideal Orientation of Chromophores Linked by O‒H···O and C‒H···O Hydrogen Bonds for Nonlinear Optics","Chemistry of Materials","2001","13","5","1473","1479","10.1021/cm000927y","","","0.5608","AgKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000042","15.7886","0.0011","10.0214","0.0007","16.142","0.0012","90","","106.046","0.006","90","","2454.5","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","spiro[4,5]([2,1-b:3,4-b']dithieno)decane","","- C14 H14 S2 -","- C14 H14 S2 -","- C112 H112 S16 -","8","2","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0542","0.038","","0.1002","0.0896","","","","1.022","1.043","1.043","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000043","10.6898","0.0009","10.6898","0.0009","12.909","0.0013","90","","90","","90","","1475.1","0.2","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","4-(9-bicyclo[3.3.1]nonanylidene)cyclopenta[2,1-b:3,4-b']dithiophene","","- C18 H18 S2 -","- C18 H18 S2 -","- C72 H72 S8 -","4","0.5","","Benincori, T.; Consonni, V.; Gramatica, P.; Pilati, T.; Rizzo, S.; Sannicolo,́ F.; Todeschini, R'; Zotti, G.","Steric Control of Conductivity in Highly Conjugated Polythiophenes","Chemistry of Materials","2001","13","5","1665","1673","10.1021/cm0009118","","","0.71073","MoKα","","0.0676","0.0422","","0.0976","0.0853","","","","1.061","1.076","1.076","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000044","18.593","0.011","9.663","0.003","10.159","0.003","90","","104.79","0.04","90","","1764.7","1.2","296","","296.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 O S9 -","- C12 H10 O S9 -","- C48 H40 O4 S36 -","4","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000045","5.086","0.002","11.5","0.003","15.08","0.005","99.01","0.02","90.16","0.03","91.09","0.02","871","0.5","298","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 As F6 O4 S16 -","- C24 H20 As O4 S16 -","- C24 H20 As O4 S16 -","1","0.5","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.71073","MoK-alpha","","","0.074","","","0.085","","","","","2.558","2.558","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000046","8.0813","0.0004","24.418","0.003","6.707","0.002","90.35","0.02","105.766","0.013","95.495","0.008","1267.2","0.4","296","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 N4 O2 S8 -","- C23 H12 N4 O2 S8 -","- C46 H24 N8 O4 S16 -","2","1","","Yamada, Jun-ichi; Oka, Rika; Mangetsu, Takashi; Akutsu, Hiroki; Nakatsuji, Shin'ichi; Nishikawa, Hiroyuki; Ikemoto, Isao; Kikuchi, Koichi","Tetrathiafulvalene Derivatives Linking a Dichalcogenolane Ring through the σ-Bond: New Donor Components for Organic Metals","Chemistry of Materials","2001","13","5","1770","1777","10.1021/cm000842x","","","0.7107","MoKα","","","","","","","","","","","","","","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000047","6.4216","0.0002","10.099","0.0005","6.5008","0.0003","90","","99.622","0.003","90","","415.66","0.03","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Mn N8 O2 -","- C4 H4 Mn N8 O2 -","- C8 H8 Mn2 N16 O4 -","2","0.5","","Ma, Bao-Qing; Sun, Hao-Ling; Gao, Song; Su, Gang","A Novel Azido and Pyrazine-Dioxide Bridged Three-Dimensional Manganese(II) Network with Antiferromagnetic Ordering (TN= 62 K) and a Spin Flop State","Chemistry of Materials","2001","13","6","1946","1948","10.1021/cm000941a","","","0.71073","MoKα","","0.0334","0.0262","","","0.0697","0.0732","","","","","","0.994","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000048","40.131","0.008","7.9554","0.0016","7.2309","0.0014","90","","91.71","0.03","90","","2307.5","0.8","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C40 H72 Cl4 Cu N2 -","- C20 H36 Cl2.003 Cu0.501 N -","- C80 H144 Cl8.012 Cu2.004 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1277","0.0797","","","0.2465","0.2803","","","","","","0.941","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000049","7.284","0.002","16.032","0.005","19.029","0.009","90","","92.38","0.06","90","","2220.3","1.4","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Bis(N-pentadecylpyridinium)tetrachlorocuprate(II)","","- C20 H36 Cl2 Cu0.5 N -","- C20 H5 Cl2 Cu0.5 N -","- C80 H20 Cl8 Cu2 N4 -","4","1","","Neve, Francesco; Francescangeli, Oriano; Crispini, Alessandra; Charmant, Jonathan","A~2~[MX~4~] Copper(II) Pyridinium Salts. From Ionic Liquids to Layered Solids to Liquid Crystals","Chemistry of Materials","2001","13","6","2032","2041","10.1021/cm000804d","","","0.71073","MoKα","","0.1637","0.0832","","","0.2052","0.2422","","","","","","1.032","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000050","12.5566","0.0006","12.5566","0.0006","32.0324","0.0017","90","","90","","90","","5050.5","0.4","223","2","223","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C36 H84 Ga4 O12 -","- C36 H84 Ga4 O12 -","- C144 H336 Ga16 O48 -","4","0.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0353","0.028","","","0.0704","0.0759","","","","","","1.06","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000051","9.1778","0.0005","17.5206","0.0009","33.606","0.0018","90","","93.985","0.001","90","","5390.8","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H66 Ga2 O6 -","- C30 H66 Ga2 O6 -","- C180 H396 Ga12 O36 -","6","1.5","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0387","0.0258","","","0.065","0.0723","","","","","","1.097","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000052","10.1444","0.0008","12.8117","0.001","14.4492","0.0011","90","","92.085","0.001","90","","1876.7","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H34 Ga N O3 -","- C14 H34 Ga N O3 -","- C56 H136 Ga4 N4 O12 -","4","1","","Valet, Murielle; Hoffman, David M.","Synthesis of Homoleptic Gallium Alkoxide Complexes and the Chemical Vapor Deposition of Gallium Oxide Films","Chemistry of Materials","2001","13","6","2135","2143","10.1021/cm0014177","","","0.71073","MoKα","","0.0461","0.0253","","","0.0598","0.0663","","","","","","0.962","","","","has coordinates,has disorder","203582","2020-10-21","18:00:00",""
"4000053","10.3518","0.0008","22.4134","0.0018","8.3186","0.0007","90","","126.149","0.001","90","","1558.5","0.2","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H12 N2 O4 Zn -","- C16 H12 N2 O4 Zn -","- C64 H48 N8 O16 Zn4 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0277","0.0255","","","0.0664","0.0677","","","","","","1.041","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000054","12.0137","0.0002","22.3435","0.0004","7.7738","0.0001","90","","123.509","0.001","90","","1739.89","0.05","198","2","198","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H14 Cd N2 O5 -","- C16 H12 Cd N2 O5 -","- C64 H48 Cd4 N8 O20 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.0545","0.0536","","","0.1444","0.1472","","","","","","1.068","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000055","22.92","0.02","28.738","0.017","22.999","0.013","90","","94.908","0.008","90","","15093","19","193","2","193","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C24 H16 Cd N2 O4 -","- C24 H16 Cd N2 O4.35714 -","- C672 H448 Cd28 N56 O122 -","28","7","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1197","0.067","","","0.1559","0.1808","","","","","","1.102","","","","has coordinates","203583","2020-10-21","18:00:00",""
"4000056","22.0278","0.0014","6.7802","0.0004","24.3992","0.0015","90","","105.096","0.001","90","","3518.3","0.4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H31 N3 O8 Zn2 -","- C36.852 H25 N3 O7.426 Zn2 -","- C147.408 H100 N12 O29.704 Zn8 -","4","1","","Evans, Owen R.; Lin, Wenbin","Crystal Engineering of Nonlinear Optical Materials Based on Interpenetrated Diamondoid Coordination Networks","Chemistry of Materials","2001","13","8","2705","2712","10.1021/cm010301n","","","0.71073","MoKα","","0.1242","0.061","","","0.1845","0.2117","","","","","","0.996","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000057","14.9179","0.0013","12.7554","0.0011","16.3222","0.0014","90","","93.89","0.002","90","","3098.7","0.5","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Cl4 Hg N2 -","- C32 H26 Cl4 Hg N2 -","- C128 H104 Cl16 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0803","0.0502","","","0.1274","0.1391","","","","","","0.992","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000058","15.2145","0.0013","12.7376","0.0011","16.4406","0.0015","90","","94.706","0.002","90","","3175.4","0.5","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 Br2 Cl2 Hg N2 -","- C32 H26 Br2 Cl2 Hg N2 -","- C128 H104 Br8 Cl8 Hg4 N8 -","4","1","","Ciurtin, Delia M.; Pschirer, Neil G.; Smith, Mark D.; Bunz, Uwe H. F.; zur Loye, Hans-Conrad","Two Luminescent Coordination Polymers with a Triple-Helix Structure: HgX2(C31H24N2)·CH2Cl2(X = Cl and Br)","Chemistry of Materials","2001","13","9","2743","2745","10.1021/cm0103545","","","0.71073","MoKα","","0.0658","0.0443","","","0.1052","0.111","","","","","","1.002","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000059","8.8775","0.0007","8.8775","0.0007","23.775","0.003","90","","90","","120","","1622.7","0.2","293","2","293","2","","","","","","","","8","P -3 1 c","-P 3 2c","163","","","","- C6 H28 Cl Co N6 O26 P6 Zn8 -","- C6 H24 Cl Co N6 O26 P6 Zn8 -","- C12 H48 Cl2 Co2 N12 O52 P12 Zn16 -","2","0.166667","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.0423","0.041","","","0.1078","0.1089","","","","","","1.162","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000060","16.623","0.002","30.589","0.005","17.441","0.002","90","","90.352","0.01","90","","8868","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C12 H56 Co2 N12 O32 P8 Zn6 -","- C96 H448 Co16 N96 O256 P64 Zn48 -","8","1","","Yu, Jihong; Wang, Yu; Shi, Zhan; Xu, Ruren","Hydrothermal Synthesis and Characterization of Two New Zinc Phosphates Assembled about a Chiral Metal Complex: [CoII(en)3]2[Zn6P8O32H8] and [CoIII(en)3][Zn8P6O24Cl].2H2O","Chemistry of Materials","2001","13","9","2972","2978","10.1021/cm010302f","","","0.71073","MoKα","","0.1572","0.0515","","","0.0893","0.1101","","","","","","0.899","","","","has coordinates","203582","2020-10-21","18:00:00",""
"4000067","7.2214","0.001","7.5155","0.001","14.9226","0.0019","88.007","0.002","82.683","0.002","61.762","0.002","707.39","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Bis(guanidinium) 4,4'-biphenyldisulfonate. (1,2-dimethylnaphthalene) clathrate","","","- C13 H16 N3 O3 S -","- C13.75 H10 N3 O3 S -","- C27.5 H20 N6 O6 S2 -","2","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0812","0.073","","","0.2068","0.2125","","","","","","0.993","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000068","7.308","0.0004","7.4666","0.0005","15.0563","0.0009","90.319","0.001","97.553","0.001","118.995","0.001","710.08","0.08","173","2","173","2","","","","","","","J. Swift, Prof. M. Ward","5","P -1","-P 1","2","98296","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0842","0.0681","","0.1938","0.1692","","","","1.001","1.043","1.043","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000069","7.5289","0.0004","12.4257","0.0007","25.4206","0.0015","90","","95.539","0.001","90","","2367","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(1,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H10 N3 O3 S -","- C100 H40 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.114","0.0759","","","0.2292","0.2521","","","","","","1.057","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000070","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).3/4(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","- C25.28 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0723","0.0584","","","0.1679","0.1762","","","","","","1.126","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000071","6.2313","0.0008","7.1774","0.001","14.736","0.002","78.793","0.002","89.763","0.002","86.279","0.002","645.11","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","bis(guanidinium)(4,4'-biphenyldisulfonate).0.75(1,7-dimethylnaphthalene)","","","- C23 H29 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","1","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0497","0.041","","","0.1121","0.1159","","","","","","1.068","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000072","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.7107","MoKα","","0.1458","0.0703","","","0.19","0.2227","","","","","","0.936","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000073","17.3485","0.0012","7.4584","0.0005","21.6256","0.0015","90","","90","","90","","2798.2","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","bis(guanidinium)(4,4'-biphenyldisulfonate).(1,8-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C14 H20 N6 O6 S2 -","- C56 H80 N24 O24 S8 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0961","0.0452","","","0.0585","0.0627","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000074","7.5509","0.0007","25.493","0.002","12.0573","0.0012","90","","91.574","0.002","90","","2320.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,3-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0814","0.043","","","0.088","0.095","","","","","","0.852","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000075","31.569","0.002","7.356","0.0005","12.7025","0.0009","90","","109.611","0.003","90","","2778.7","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","bis(guanidinium)(4,4'-biphenyldisulfonate).(2,6-dimethylnaphthalene)","","","- C26 H32 N6 O6 S2 -","- C26 H32 N6 O6 S2 -","- C104 H128 N24 O24 S8 -","4","0.5","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0659","0.0453","","","0.1161","0.1235","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000076","7.5382","0.0005","25.5444","0.0016","11.9693","0.0008","90","","92.656","0.001","90","","2302.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,6-dimethylnaphthalene)","","","- C25 H28 N3 O3 S -","- C25 H28 N3 O3 S -","- C100 H112 N12 O12 S4 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0521","0.0384","","","0.0979","0.1029","","","","","","1.046","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000077","13.854","0.0009","77.733","0.005","7.5814","0.0005","90","","121.055","0.001","90","","6994.3","0.8","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,7-dimethylnaphthalene)","","","- C75 H84 N9 O9 S3 -","- C75 H84 N9 O9 S3 -","- C300 H336 N36 O36 S12 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0598","0.0473","","","0.1087","0.1133","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000083","6.711","0.001","6.614","0.001","17.72","0.004","90","","90","","90","","786.5","0.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C H4 Mn N Se -","- C H4 Mn N Se -","- C8 H32 Mn8 N8 Se8 -","8","1","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0407","0.0278","","","0.0655","0.0694","","","","","","1.132","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000084","20.383","0.004","6.719","0.001","6.565","0.001","90","","90","","90","","899.1","0.3","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H10 Mn2 N2 Se2 -","- C3 H10 Mn2 N2 Se2 -","- C12 H40 Mn8 N8 Se8 -","4","0.5","","Huang, Xiaoying; Heulings, IV, Harry R.; Le, Vina; Li, Jing","Inorganic-Organic Hybrid Composites Containing MQ (II-VI) Slabs: A New Class of Nanostructures with Strong Quantum Confinement and Periodic Arrangement","Chemistry of Materials","2001","13","10","3754","3759","10.1021/cm010403d","","","0.71073","MoKα","","0.0466","0.0367","","","0.0886","0.0924","","","","","","1.147","","","","has coordinates","218969","2020-10-21","18:00:00",""
"4000086","11.498","0.006","16.858","0.012","15.235","0.003","90","","104.9","0.1","90","","2854","6","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(hfac)MHY]","","","- C12 H11 Cu F6 O2 -","- C12 Cu F6 O2 -","- C96 Cu8 F48 O16 -","8","2","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0697","","","0.0801","","","","","1.0582","1.0582","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000087","6.918","0.004","10.654","0.007","10.884","0.003","63.28","0.04","71.44","0.04","71.07","0.05","663.5","0.7","238","","238","","","","","","","","","5","P -1","-P 1","2","[Cu(tfac)(MHY)]","","","- C12 H14 Cu F3 O2 -","- C12 H14 Cu F3 O2 -","- C24 H28 Cu2 F6 O4 -","2","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0521","","","0.0632","","","","","0.9909","0.9909","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000088","7.321","0.005","20.312","0.011","9.868","0.006","90","","93.26","0.05","90","","1465","2","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Cu(pfac)(MHY)]","","","- C12 H10 Cu F7 O2 -","- C12 H10 Cu F7 O2 -","- C48 H40 Cu4 F28 O8 -","4","1","","Chen, T.-Y.; Vaissermann, J.; Ruiz, E.; Senateur, J. P.; Doppelt, P.","2-Methyl-1-hexen-3-yne Lewis Base Stabilized β-Diketonate Copper(I) Complexes: X-ray Structures, Theoretical Study, and Low-Temperature Chemical Vapor Deposition of Copper Metal","Chemistry of Materials","2001","13","11","3993","4004","10.1021/cm0012318","","","0.71069","MoKα","","","0.0506","","","0.0606","","","","","1.1331","1.1331","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4000089","11.6273","0.0018","21.161","0.003","14.706","0.002","90","","103.93","0.003","90","","3512","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- H21 N3 O39 U11 -","- N3 O39 U11 -","- N12 O156 U44 -","4","0.5","","Li, Yaping; Cahill, Christopher L.; Burns, Peter C.","Synthesis, Structural Characterization, and Topological Rearrangement of a Novel Open Framework U−O Material: (NH4)3(H2O)2{[(UO2)10O10(OH)][(UO4)(H2O)2]","Chemistry of Materials","2001","13","11","4026","4031","10.1021/cm0008359","","","0.71073","MoKα","","0.1613","0.077","","","0.1601","0.1812","","","","","","1.009","","","","has coordinates","192412","2020-10-21","18:00:00",""
"4000095","10.9267","0.0003","10.9267","0.0003","10.9267","0.0003","90","","90","","90","","1304.57","0.06","293","0.2","293","0.2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- Ga K O14 Te6 -","- Ga K O14 Te6 -","- Ga4 K4 O56 Te24 -","4","0.166667","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0175","0.0173","","0.0462","0.0461","","","","1.319","1.321","1.321","","","","","has coordinates","208250","2020-10-21","18:00:00",""
"4000096","8.8361","0.0006","9.1648","0.0006","9.9531","0.0007","115.395","0.001","93.973","0.001","116.011","0.001","620.63","0.07","293","0.2","","","","","","","","","","5","P -1","-P 1","2","","","","- Ga H3.6 K O7.8 Te2 -","- Ga K O7.8 Te2 -","- Ga3 K3 O23.4 Te6 -","3","1.5","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","","","","0.0271","0.0234","","","0.0619","0.0632","","","","","","1.114","","","","has coordinates","277839","2022-09-14","18:07:02",""
"4000110","17.727","0.007","9.722","0.007","20.761","0.006","90","","110.88","0.02","90","","3343","2","301.2","","301.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 Ba N6 O5 S2 -","- C28 H42 Ba N6 O5 S2 -","- C112 H168 Ba4 N24 O20 S8 -","4","0.5","","Chan, Suk Hang; Wong, Wing Tak; Chan, Wai Kin","Synthesis and Properties of Polyimide with Diazacrown Ether Moiety and the Corresponding Polymer Barium Complexes","Chemistry of Materials","2001","13","12","4635","4641","10.1021/cm0103500","","","0.7107","MoKalpha","","","0.0406","","","0.0358","","","","","1.255","1.255","","","","","has coordinates","277941","2022-09-17","18:03:31",""
"4000111","6.5447","0.0004","6.5447","0.0004","7.696","0.0006","90","","90","","90","","329.64","0.04","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Eu Ge Li2 S4 -","- Eu Ge Li2 S4 -","- Eu2 Ge2 Li4 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0224","0.0224","","","0.0551","0.0551","","","","","","1.148","","","","has coordinates","277940","2022-09-17","16:36:05",""
"4000683","7.5046","0.0005","10.7097","0.0008","10.7159","0.0008","60.849","0.001","69.918","0.001","85.968","0.001","701.49","0.09","293","0.2","293","0.2","","","","","","","","4","P 1","P 1","1","","","","- H8 K2 O12.2 Te4 -","- K2 O12.2 Te4 -","- K4 O24.4 Te8 -","2","2","","Ok, Kang Min; Halasyamani, P. Shiv","New Tellurites: Syntheses, Structures, and Characterization of K2Te4O9·3.2H2O, KGaTe6O14, and KGaTe2O6·1.8H2O","Chemistry of Materials","2001","13","11","4278","4284","10.1021/cm0103489","","","0.71073","MoKα","","0.0316","0.0313","","","0.0856","0.0859","","","","","","1.073","","","","has coordinates","209296","2020-10-21","18:00:00",""
"4000685","16.012","0.002","16.012","0.002","12.447","0.002","90","","90","","120","","2763.7","0.7","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C10 H26 N6 S3 -","- C10 H12 N6 S3 -","- C60 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0827","","","","0.1078","","","","","","0.8824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000686","12.406","0.008","15.535","0.008","10.14","0.009","90","","114.27","0.03","90","","1782","2","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 N6 S3 -","- C10 H26 N6 S3 -","- C40 H104 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0765","","","","0.0944","","","","","","1.0083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000687","16.225","0.002","16.225","0.002","12.488","0.004","90","","90","","120","","2847","1","293","","293","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C11 H28 N6 S3 -","- C11 H12 N6 S3 -","- C66 H72 N36 S18 -","6","0.166667","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0922","","","","0.1091","","","","","","0.9657","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000688","12.465","0.005","15.555","0.007","10.392","0.004","90","","113.99","0.03","90","","1840.9","1.4","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C44 H112 N24 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0573","","","","0.0673","","","","","","1.0086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000689","12.416","0.0006","30.918","0.0013","10.371","0.0005","90","","113.848","0.003","90","","3641.3","0.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H28 N6 S3 -","- C11 H28 N6 S3 -","- C88 H224 N48 S24 -","8","2","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","0.71069","MoKα","","","0.0432","","","","0.0551","","","","","","0.9775","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000690","12.761","0.0015","15.631","0.002","10.3603","0.0013","90","","117.098","0.011","90","","1839.7","0.4","293","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.068","","","","0.0747","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000691","12.746","0.007","15.6205","0.0017","10.3555","0.0014","90","","117.134","0.008","90","","1834.9","1.1","280","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0354","","","","0.0436","","","","","","0.982","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000692","12.637","0.0014","15.518","0.002","10.293","0.0014","90","","117.38","0.01","90","","1792.4","0.4","120","","","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H26 N6 O S3 -","- C11 H26 N6 O S3 -","- C44 H104 N24 O4 S12 -","4","1","","Thierry Maris; Michael J. Henson; Stephen J. Heyes; Keith Prout","Investigations of the Phase Transitions in Thiourea Inclusion Compounds with Cycloheptane, Cyclooctane, and Cyclooctanone","Chem. Mater.","2001","13","","2483","2492","10.1021/cm991173u","","","1.5418","CuKα","","","0.0373","","","","0.0434","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001897","2.83961","0.00011","2.83961","0.00011","14.486","0.005","90","","90","","120","","101.16","0.04","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Lithium Manganese Oxide (0.48/0.89/2)","","- Li0.48 Mn0.89 O2 -","- Li0.48 Mn0.89 O2 -","- Li1.44 Mn2.67 O6 -","3","0.0833333","","Raekelboom, E.; Hector, A. L.; Owen, J.; Vitins, G.; Weller, M. T.","Syntheses, structures, and preliminary electrochemistry of the layered lithium and sodium manganese(IV) oxides, A~2~Mn~3~O~7~","Chemistry of Materials","2001","13","12","4618","4623","10.1021/cm011105j","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002652","6.5224","0.0005","6.5224","0.0005","7.7603","0.0008","90","","90","","90","","330.14","0.05","293","2","293","2","","","","","","","","4","I -4 2 m","I -4 2","121","","","","- Ge Li2 Pb S4 -","- Ge Li2 Pb S4 -","- Ge2 Li4 Pb2 S8 -","2","0.125","","Aitken, Jennifer A.; Larson, Paul; Mahanti, S. D.; Kanatzidis, Mercouri G.","Li~2~PbGeS~4~ and Li~2~EuGeS~4~: polar chalcopyrites with a severe tetragonal compression","Chemistry of Materials","2001","13","12","4714","4721","10.1021/cm0105357","","","0.71073","MoKα","","0.0253","0.0253","","","0.0646","0.0646","","","","","","1.114","","","","has coordinates","277940","2022-09-17","16:36:05",""
"6000469","8.229","","9.739","","9.754","","60.74","","72.36","","84.67","","648.47","","","","","","","","","","","","","6","P -1","","","","","","- C7 H6 K8 N O11 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000470","11.552","","17.168","","8.719","","90","","130.64","","90","","1312.14","","","","","","","","","","","","","5","C 1 c 1","","","","","","- C9 H12 N2 O8 Y -","","","","","","Vaidhyanathan, R.; Natarajan, S.; Rao, C. N. R.","Three-dimensional yttrium oxalates possessing large channels","Chemistry of Materials","2001","13","","185","191","10.1021/cm000419o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""