# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T03:26:26+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 'Chem. Mater.') AND volume = 18 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
"1101142","6.3589","0.0004","10.7795","0.0006","10.3836","0.0006","90","","90.019","0.001","90","","711.75","0.07","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- F2 Li5 O8 P2 V -","- F2 Li5 O8 P2 V -","- F8 Li20 O32 P8 V4 -","4","1","","Yin, S.-C.; Herle, P. Subramanya; Higgins, A.; Taylor, N. J.; Makimura, Y.; Nazar, L. F.","Dimensional Reduction: Synthesis and Structure of Layered Li~5~M(PO~4~)~2~F~2~ (M = V, Cr)","Chemistry of Materials","2006","18","7","1745","1752","10.1021/cm0513738","","","0.71073","MoKα","","0.0422","0.0375","","","0.0732","0.0741","","","","","","1.683","","","","has coordinates","178242","2020-10-21","18:00:00",""
"1101224","7.3373","0.001","11.2668","0.0016","8.2369","0.0018","90","","97.387","0.003","90","","675.3","0.2","293","0.2","293","0.2","","","","","","","","4","I 1 2 1","I 2y","5","","Sodium molybdenum tellurium oxide","","- Mo3 Na2 O16 Te3 -","- Mo3 Na2 O16 Te3 -","- Mo6 Na4 O32 Te6 -","2","0.5","","Chi, Eun Ok; Ok, Kang Min; Porter, Yetta; Halasyamani, P. Shiv","Na~2~Te~3~Mo~3~O~16~: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties","Chemistry of Materials","2006","18","8","2070","2074","10.1021/cm052614e","","","0.71073","MoKα","","0.0337","0.0331","","","0.0886","0.0891","","","","","","1.081","","","","has coordinates","178244","2020-10-21","18:00:00",""
"4000670","19.112","0.0014","10.2646","0.0008","12.602","0.0012","90","","90","","90","","2472.2","0.4","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Dy2 P4 S16 -","- Ba3 Dy2 P4 S16 -","- Ba12 Dy8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0374","0.0275","","","0.0771","0.0985","","","","","","1.217","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000671","19.078","0.003","10.2413","0.0019","12.5682","0.0017","90","","90","","90","","2455.6","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Er2 P4 S16 -","- Ba3 Er2 P4 S16 -","- Ba12 Er8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0298","0.0272","","","0.0671","0.0682","","","","","","1.142","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000672","19.127","0.003","10.2795","0.0005","12.648","0.0016","90","","90","","90","","2486.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Gd2 P4 S16 -","- Ba3 Gd2 P4 S16 -","- Ba12 Gd8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0573","0.0463","","","0.1547","0.1613","","","","","","1.103","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000673","19.088","0.003","10.2481","0.0013","12.565","0.002","90","","90","","90","","2457.9","0.7","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 Ho2 P4 S16 -","- Ba3 Ho2 P4 S16 -","- Ba12 Ho8 P16 S64 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0476","0.0294","","","0.0684","0.0729","","","","","","1.023","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000674","19.113","0.002","10.261","0.0011","12.616","0.002","90","","90","","90","","2474.2","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- Ba3 P4 S16 Tb2 -","- Ba3 P4 S16 Tb2 -","- Ba12 P16 S64 Tb8 -","4","0.5","","Yvonne Klawitter; Wolfgang Bensch; Claudia Wickleder","Synthesis, Crystal Structure, and Vibrational and Optical Spectroscopy of the First Quaternary Alkaline-Earth Rare Earth Thiophosphates Ba3Ln2[P4S16] (Ln = Gd-Er)","Chem. Mater.","2006","18","","187","197","10.1021/cm051860n","","","0.71073","MoKα","","0.0884","0.0474","","","0.1473","0.1621","","","","","","1.061","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000675","12.981","0.003","10.09","0.002","22.939","0.005","90","","91.3","0.03","90","","3003.7","1","293","","293","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 H30 -","- C42 H30 -","- C168 H120 -","4","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.1146","0.0684","","0.0771","0.0642","0.0642","","","","","","1.1574","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4000676","10.315","0.004","12.055","0.004","12.583","0.005","92.83","0.03","84.46","0.03","116.99","0.04","1387.7","1","293","","293","","","","","","","","","2","P -1","-P 1","2","","","","- C42 H26 -","- C42 H26 -","- C84 H52 -","2","1","","Roswitha Zeis; Celine Besnard; Theo Siegrist; Carl Schlockermann; Xiaoliu Chi; Christian Kloc","Field Effect Studies on Rubrene and Impurities of Rubrene","Chem. Mater.","2006","18","2","244","248","10.1021/cm0502626","","","0.71073","MoKα","","0.2876","0.1068","","0.1806","0.1229","0.1229","","","","","","1.1536","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000677","10.192","0.002","17.764","0.004","24.437","0.005","90","","91.19","0.03","90","","4423.3","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N12 O19.9 Zn5 -","- C32 H20 N12 O19.896 Zn5 -","- C128 H80 N48 O79.584 Zn20 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.71073","MoKα","","0.0754","0.0496","","","0.1309","0.1562","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000678","7.797","0.0016","10.047","0.002","13.577","0.003","110.18","0.03","105.46","0.03","93.9","0.03","947","0.3","103","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 N9 O6 Zn2 -","- C14 H11 N9 O6 Zn2 -","- C28 H22 N18 O12 Zn4 -","2","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0361","0.0345","","","0.0926","0.0934","","","","","","1.146","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4000679","13.475","0.003","26.949","0.005","13.509","0.003","90","","95.18","0.03","90","","4885.7","1.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H16 N12 O24 Zn4 -","- C24 H16 N12 O24 Zn4 -","- C96 H64 N48 O96 Zn16 -","4","1","","Hyunsoo Park; David M. Moureau; John B. Parise","Hydrothermal Synthesis and Structural Characterization of Novel Zn-Triazole-Benzenedicarboxylate Frameworks","Chem. Mater.","2006","18","2","525","531","10.1021/cm051829l","","x-ray","0.48595","synchrotron","","0.0633","0.0575","","","0.1483","0.1524","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000680","4.0829","0.0006","4.0829","0.0006","17.595","0.004","90","","90","","120","","254.02","0.07","90","2","90","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","","","- Eu In2 P2 -","- Eu In2 P2 -","- Eu2 In4 P4 -","2","0.0833333","","Jiong Jiang; Susan M. Kauzlarich","Colossal Magnetoresistance in a Rare Earth Zintl Compound with a New Structure Type: EuIn2P2","Chem. Mater.","2006","18","2","435","441","10.1021/cm0520362","","","0.71073","MoKα","","0.0176","0.0176","","","0.0345","0.0345","","","","","","1.589","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4000681","7.3474","0.0002","28.7742","0.0009","15.6631","0.0004","90","","90","","90","","3311.42","0.16","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","2,7-Bis(3,4,5-trimethoxyphenylethenyl)-9,9-diethylfluorene","","","- C39 H42 O6 -","- C39.1 H32 O6 -","- C156.4 H128 O24 -","4","0.5","","Hemali P. Rathnayake; Ali Cirpan; Paul M. Lahti; Frank E. Karasz","Optimizing LED Properties of 2,7-Bis(phenylethenyl)fluorenes","Chem. Mater.","2006","18","2","560","566","10.1021/cm052144o","","","0.71073","MoKα","","0.1025","0.0713","","","0.1595","0.1754","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000682","32.603","0.007","10.617","0.002","10.718","0.002","90","","108.26","0.03","90","","3523.2","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- B H11 Mn4.5 N2 O21 P5 -","- B H7 Mn4.5 N2 O21 P5 -","- B8 H56 Mn36 N16 O168 P40 -","8","1","","Miao Yang; Jihong Yu; Lei Shi; Peng Chen; Guanghua Li; Yan Chen; Ruren Xu; Song Gao","Synthesis, Structure, and Magnetic Property of a New Open-Framework Manganese Borophosphate, [NH4]4[Mn9B2(OH)2(HPO4)4(PO4)6]","Chem. Mater.","2006","18","2","476","481","10.1021/cm052170m","","","0.71073","MoKα","","0.0374","0.0313","","","0.0801","0.0835","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001474","12.2392","0.0004","12.2392","0.0004","12.4357","0.0009","90","","90","","120","","1613.27","0.14","293","2","293","2","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Sb5 Zn5.92 -","- Sb5 Zn5.916 -","- Sb30 Zn35.496 -","6","0.166667","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0238","0.0228","","","0.0543","0.0548","","","","","","1.122","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001475","10.8779","0.0015","12.2252","0.0017","8.1847","0.0011","90","","100.044","0.002","90","","1071.8","0.3","238","2","293","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Sb5 Zn6.03 -","- Sb5 Zn6.02 -","- Sb20 Zn24.08 -","4","0.5","","Mozharivskyj, Yurij; Janssen, Yuri; Harringa, Joel L.; Kracher, Alfred; Tsokol, Alexandra O.; Miller, Gordon J.","Zn13Sb10: A Structural and Landau Theoretical Analysis of Its Phase Transitions","Chemistry of Materials","2006","18","3","822","","10.1021/cm0515505","","","0.71073","MoKα","","0.0334","0.026","","","0.0621","0.0662","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001476","9.5354","","9.5354","","15.7676","","90","","90","","120","","1241.58","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate","","- B H6 O10 P2 Sc -","- B O10 P2 Sc -","- B6 O60 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0377","0.0366","","","0.0304","0.0305","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001477","9.5752","0.0003","9.5752","0.0003","15.8145","0.0006","90","","90","","120","","1255.69","0.07","293","2","295.15","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B H4 O11 P2 Sc -","- B6 H24 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","","","0.7107","MoKα","","","0.033","","","","0.08","","","","","","1.275","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001478","9.5739","","9.5739","","15.8069","","90","","90","","120","","1254.74","","293","","293","","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","Diaqua-scandium catena-monoboro-bisphosphate monohydrate","","- B H6 O11 P2 Sc -","- B O11 P2 Sc -","- B6 O66 P12 Sc6 -","6","0.5","","Ewald, Bastian; Prots, Yurii; Kudla, Christian; Grüner, Daniel; Cardoso-Gil, Raul; Kniep, Rüdiger","Crystal Structure and Thermochemical Properties of a First Scandium Borophosphate, Sc(H2O)2[BP2O8]·H2O","Chemistry of Materials","2006","18","3","673","","10.1021/cm051577o","powder diffraction","","1.54059","CuKα1","","0.0348","0.0344","","","0.0343","0.0343","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001479","13.099","0.003","14.454","0.003","16.987","0.004","90","","97.546","0.004","90","","3188.3","1.2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","04088bbb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase IV]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C72 H128 F48 N16 O32 S16 -","8","2","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.0718","0.0587","","","0.1549","0.1613","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001480","8.5425","0.0014","9.6978","0.0016","11.2219","0.0018","88.487","0.003","73.119","0.003","68.294","0.003","823.1","0.2","213","2","213","2","","","","","","","","6","P -1","-P 1","2","04086bb","N-ethyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide [Phase III]","","- C9 H16 F6 N2 O4 S2 -","- C9 H16 F6 N2 O4 S2 -","- C18 H32 F12 N4 O8 S4 -","2","1","","Henderson, Wesley A.; Young, Jr., Victor G.; Passerini, Stefano; Trulove, Paul C.; De Long, Hugh C.","Plastic Phase Transitions inN-Ethyl-N-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide","Chemistry of Materials","2006","18","4","934","938","10.1021/cm051936f","","","0.71073","MoKα","","0.1166","0.0864","","","0.2658","0.2931","","","","","","1.097","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001481","9.05294","0.00006","9.05294","","9.05294","","90","","90","","90","","741.94","0.005","","","","","","","","","","","","3","I m -3","-I 2 2 3","204","","","","- Co In0.05 Sb3 -","- Co In0.05 Sb3 -","- Co8 In0.4 Sb24 -","8","0.166667","","He, Tao; Chen, Jiazhong; Rosenfeld, H. David; Subramanian, M. A.","Thermoelectric Properties of Indium-Filled Skutterudites","Chemistry of Materials","2006","18","3","759","","10.1021/cm052055b","powder diffraction","x-ray","0.351164","","","","","","","","","0.05684","","1.04","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001482","8.6232","0.0004","9.2261","0.0004","28.4554","0.0013","90","","95.988","0.001","90","","2251.52","0.18","125","2","125","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","11-(1-pyrenemethoxy)-undecanebromide","","- C28 H33 Br O -","- C28 H33 Br O -","- C112 H132 Br4 O4 -","4","1","","Ma, Dongling; Guan, Jingwen; Dénommée, Stéphane; Enright, Gary; Veres, Teodor; Simard, Benoit","Multifunctional Nano-Architecture for Biomedical Applications","Chemistry of Materials","2006","18","7","1920","","10.1021/cm052067x","","","0.71073","MoKα","","0.0678","0.0421","","","0.1013","0.1092","","","","","","0.968","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001483","18.859","0.009","6.915","0.003","11.256","0.006","90","","90.54","0.02","90","","1467.8","1.2","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C6 H19.5 Al N2 O9.25 P2 -","- C6 H14 Al N2 O9.27 P2 -","- C24 H56 Al4 N8 O37.08 P8 -","4","0.5","","Serre, Christian; Groves, John A.; Lightfoot, Philip; Slawin, Alexandra M. Z.; Wright, Paul A.; Stock, Norbert; Bein, Thomas; Haouas, Mohamed; Taulelle, Francis; Férey, Gérard","Synthesis, Structure and Properties of Related MicroporousN,N‘-Piperazinebismethylenephosphonates of Aluminum and Titanium","Chemistry of Materials","2006","18","6","1451","","10.1021/cm052149l","","","1.54178","CuKα","","0.1651","0.1387","","","0.3233","0.3393","","","","","","1.208","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001484","9.8645","0.0006","10.3255","0.0008","13.7712","0.0008","87.905","0.005","75.981","0.005","80.712","0.002","1343.05","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0722","0.0438","","","0.0921","0.1054","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001485","9.9829","0.0005","10.4011","0.0005","13.7363","0.0008","88.374","0.002","75.559","0.002","80.95","0.002","1363.94","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0816","0.0472","","","0.1068","0.1272","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001486","9.8769","0.0003","10.3545","0.0003","13.7442","0.0004","87.8389","0.0012","76.1174","0.0013","80.4897","0.0012","1345.81","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0525","0.0384","","","0.0959","0.1071","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001487","10.676","0.0005","11.3","0.0006","11.393","0.0009","101.256","0.002","96.755","0.002","97.342","0.005","1322.51","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","- C38 H22 Cr I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.118","0.0489","","","0.1073","0.1571","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001488","10.7248","0.0002","11.3782","0.0003","11.4166","0.0003","100.975","0.001","96.905","0.001","98.813","0.002","1335.41","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","- C38 H22 Cr I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0705","0.0441","","","0.1088","0.1244","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001489","10.673","0.0003","11.333","0.0003","11.401","0.0004","101.22","0.001","96.719","0.001","97.577","0.001","1326.35","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","- C38 H22 Ga I4 N6 S16 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0878","0.0514","","","0.1308","0.153","","","","","","1.034","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001490","10.719","0.0003","11.41","0.0003","11.433","0.0003","100.894","0.001","97.014","0.001","99.116","0.001","1338.98","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","- C38 H22 Ga I4 N6 S12 Se4 -","1","0.5","","Hervé, Katel; Cador, Olivier; Golhen, Stéphane; Costuas, Karine; Halet, Jean-François; Shirahata, Takashi; Muto, Tsuyoshi; Imakubo, Tatsuro; Miyazaki, Akira; Ouahab, Lahcène","Iodine Substituted Tetrathiafulvalene Radical Cation Salts with [M(isoq)2(NCS)4]-Anions where M = CrIII, GaIII: Role of I···S and S···S Contacts on Structural and Magnetic Properties","Chemistry of Materials","2006","18","3","790","","10.1021/cm052199q","","","0.71073","MoKα","","0.0684","0.0522","","","0.1448","0.1579","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001491","9.585","0.0019","3.991","0.0008","12.443","0.003","90","","90","","90","","475.99","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cd Cl S2 Sb -","- Cd Cl S2 Sb -","- Cd4 Cl4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0246","0.0201","","","0.042","0.0431","","","","","","1.135","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001492","12.938","0.003","3.931","0.0008","9.661","0.0019","90","","91.11","0.03","90","","491.26","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Br Cd S2 Sb -","- Br Cd S2 Sb -","- Br4 Cd4 S8 Sb4 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0287","0.0254","","","0.0538","0.0551","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001493","9.541","0.002","3.97","0.0008","12.545","0.003","90","","90","","90","","475.18","0.18","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","Cadimum Bismuth Sulfochloride","","","- Bi Cd Cl S2 -","- Bi Cd Cl S2 -","- Bi4 Cd4 Cl4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0263","0.0259","","","0.0603","0.0604","","","","","","1.113","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001494","12.977","0.003","4.012","0.0008","9.584","0.0019","90","","91.07","0.03","90","","498.89","0.18","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Br Cd S2 -","- Bi Br Cd S2 -","- Bi4 Br4 Cd4 S8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.048","0.0416","","","0.0967","0.0989","","","","","","1.196","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001495","10.025","0.002","4.119","0.0008","13.143","0.003","90","","90","","90","","542.7","0.2","293.15","","293.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi Br Cd Se2 -","- Bi Br Cd Se2 -","- Bi4 Br4 Cd4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.0291","0.0258","","","0.0576","0.0588","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001496","13.659","0.003","4.192","0.0008","10.193","0.002","90","","90.88","0.03","90","","583.6","0.2","293.15","","293.15","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- Bi Cd I Se2 -","- Bi Cd I Se2 -","- Bi4 Cd4 I4 Se8 -","4","0.5","","Wang, Lei; Hung, Yi-Chung; Hwu, Shiou-Jyh; Koo, Hyun-Joo; Whangbo, M.-H.","Synthesis, Structure, and Properties of a New Family of Mixed-Framework Chalcohalide Semiconductors: CdSbS2X (X = Cl, Br), CdBiS2X (X = Cl, Br), and CdBiSe2X (X = Br, I)","Chemistry of Materials","2006","18","5","1219","","10.1021/cm0522230","","","0.71073","MoKα","","0.027","0.0251","","","0.0602","0.061","","","","","","1.125","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001497","8.7115","0.0009","14.345","0.0015","15.2657","0.0016","90","","90.105","0.002","90","","1907.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La7.13 S24 Sb8.87 -","- La7.134 S24 Sb8.866 -","- La14.268 S48 Sb17.732 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0551","0.0432","","","0.0837","0.0888","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001498","8.6829","0.0004","14.3334","0.0007","15.2691","0.0008","90","","90.077","0.001","90","","1900.32","0.16","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- La6.7 S24 Sb9.3 -","- La6.704 S24 Sb9.296 -","- La13.408 S48 Sb18.592 -","2","0.5","","Assoud, Abdeljalil; Kleinke, Katja M.; Kleinke, Holger","Synthesis, Structure, and Electronic Structure of the Ternary Sulfide La7Sb9S24","Chemistry of Materials","2006","18","4","1041","","10.1021/cm052254v","","","0.71073","MoKα","","0.0337","0.0286","","","0.0631","0.0655","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001499","7.8762","0.0011","7.8762","0.0011","7.1237","0.0014","90","","90","","120","","382.71","0.11","291","2","291","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","- Al4 H6 O18 P6 -","1","0.0833333","","Li, Niu; Ma, Yanfeng; Xiang, Shouhe; Guan, Naijia","Capturing an Aluminophosphite Intermediate in the New Route of Synthesizing Zeolite-like Aluminophosphates","Chemistry of Materials","2006","18","4","975","","10.1021/cm052327a","","","0.71073","MoKα","","0.0504","0.0444","","","0.1159","0.1207","","","","","","1.15","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001500","10.608","0.002","11.462","0.002","9.1332","0.0018","90","","112.36","0.03","90","","1027","0.4","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ammonium tricyanomelaminate","Diammonium hydrogen tricyanomelaminate","","- C6 H9 N11 -","- C6 H9 N11 -","- C24 H36 N44 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0471","0.0295","","","0.068","0.0721","","","","","","0.914","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001501","7.6212","0.0015","13.336","0.003","18.566","0.004","90","","90","","90","","1887","0.7","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Guanidinium tricyanomelaminate hydrate","Triguanidinium tricyanomelaminate dihydrate","","- C9 H22 N18 O2 -","- C9 H22 N18 O2 -","- C36 H88 N72 O8 -","4","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.0277","0.0253","","","0.0652","0.0666","","","","","","1.087","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001502","10.295","0.002","11.203","0.002","11.207","0.002","104.22","0.03","112.74","0.03","104.62","0.03","1064.8","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Melaminium tricyanomelaminate hydrate","Dimelaminium hydrogen tricyanomelaminate hydrate","","- C12 H19.8 N21 O2.4 -","- C12 H19.798 N21 O2.399 -","- C24 H39.596 N42 O4.798 -","2","1","","Lotsch, Bettina V.; Schnick, Wolfgang","From Triazines to Heptazines: Novel Nonmetal Tricyanomelaminates as Precursors for Graphitic Carbon Nitride Materials","Chemistry of Materials","2006","18","7","1891","","10.1021/cm052342f","","","0.71073","MoKα","","0.1015","0.057","","","0.123","0.1458","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001503","18.0998","0.0012","5.703","0.0004","23.1988","0.0016","90","","104.633","0.001","90","","2317","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- H K0.75 Na0.25 Np O6.5 S -","- H K0.75 Na0.25 Np O6.5 S -","- H16 K12 Na4 Np16 O104 S16 -","16","2","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0405","0.0351","","","0.0717","0.0736","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001504","18.3638","0.0013","5.6424","0.0004","23.5512","0.0017","90","","103.366","0.002","90","","2374.2","0.3","298","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","sodium neptunyl sulfate hydrate","sodium neptunyl sulfate dihydrate","","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H1.6 Na0.8 Np0.8 O5.6 S0.8 -","- H32 Na16 Np16 O112 S16 -","20","2.5","","Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.","Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework","Chemistry of Materials","2006","18","6","1643","","10.1021/cm0523687","","","0.71073","MoKα","","0.0623","0.0363","","","0.0596","0.0667","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001505","8.8932","0.0011","9.0338","0.0011","10.6253","0.0013","72.445","0.002","75.252","0.002","74.819","0.002","771.04","0.16","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","- C20 H21 F2 In3 N4 O16 P4 -","1","0.5","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0255","0.0238","","","0.062","0.0633","","","","","","1.002","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001506","7.8843","0.0017","10.321","0.002","11.395","0.002","107.139","0.003","105.101","0.003","99.328","0.003","826.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H12 F2 In2 N2 O9 P2 -","- C10 H10 F2 In2 N2 O9 P2 -","- C20 H20 F4 In4 N4 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.0476","0.0409","","","0.0948","0.0973","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001507","7.899","0.003","10.405","0.004","11.387","0.005","108.01","0.03","104.52","0.03","99.36","0.02","831.8","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H13 F2 In2 N3 O9 P2 -","- C10 H11 F2 In2 N3 O9 P2 -","- C20 H22 F4 In4 N6 O18 P4 -","2","1","","Chen, Chao; Liu, Yunling; Wang, Shuhua; Li, Guanghua; Bi, Minghui; Yi, Zhuo; Pang, Wenqin","Hydrothermal Syntheses, Structural Characterizations, and Photoluminescence Properties of Three Fluorinated Indium Phosphates with Bipyridyl Ligands: In3F2(2,2‘-bipy)2(HPO4)2(H1.5PO4)2, In2F2(H2O)(2,2‘-bipy)(HPO4)2, and In2F2(H2O)(2,2‘-bipy-5-amine)(HPO4)2","Chemistry of Materials","2006","18","13","2950","","10.1021/cm052395x","","","0.71073","MoKα","","0.1094","0.0598","","","0.1222","0.1397","","","","","","0.907","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001508","12.4938","0.0014","12.4938","0.0014","3.9519","0.0002","90","","90","","90","","616.87","0.1","","","","","","","","","","","","4","P 4 b m","P 4 -2ab","100","","","","- Ba1.938 Bi0.375 Nb5 O15 -","- Ba1.9374 Bi0.3752 Nb5 O15 -","- Ba3.8748 Bi0.7504 Nb10 O30 -","2","0.25","","Muktha, B.; Simon, A.; Darriet, J.; Guru Row, T. N.","Crystal Chemistry of a New Solid Solution in the BaO−Bi2O3−Nb2O5System: Ba5x/2Bi(1-x)5/3Nb5O15","Chemistry of Materials","2006","18","5","1240","","10.1021/cm052422j","","","0.71069","MoKα","","0.0341","0.0341","","","0.084","0.084","","","","1.93","1.93","1.93","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001509","12.1819","0.0002","15.947","0.0003","11.0751","0.0002","90","","90.056","0.001","90","","2151.5","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H36 B20 -","- C7 H36 B20 -","- C28 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0798","0.0707","","0.1464","0.1393","","","","1.131","1.133","1.133","","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001510","10.906","0.002","13.048","0.002","10.811","0.002","90","","117.287","0.003","90","","1367.2","0.4","143","1","143","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H22 B10 -","- C7 H22 B10 -","- C28 H88 B40 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.0892","0.0763","","","0.2025","0.2171","","","","","","1.066","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4001511","10.969","0.004","21.912","0.008","10.902","0.004","90","","90","","90","","2620.3","1.7","143","1","143","1","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H22 B10 -","- C6 H22 B10 -","- C48 H176 B80 -","8","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Ring-Opening Polymerization Syntheses of Poly(organodecaboranes): New Single-Source Boron-Carbide Precursors","Chemistry of Materials","2006","18","5","1113","","10.1021/cm0524603","","","0.71069","MoKα","","0.16","0.129","","","0.2905","0.3198","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001512","16.0442","0.001","18.9546","0.0012","20.9652","0.0014","99.598","0.002","111.061","0.001","110.305","0.001","5261.7","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C84 H154 O25 Si16 -","- C84 H154 O25 Si16 -","- C168 H308 O50 Si32 -","2","1","","Anderson, Stanley E.; Mitchell, Connie; Haddad, Timothy S.; Vij, Ashwani; Schwab, Joseph J.; Bowers, Michael T.","Structural Characterization of POSS Siloxane Dimer and Trimer","Chemistry of Materials","2006","18","6","1490","","10.1021/cm052589c","","","0.71073","MoKα","","0.0459","0.039","","","0.1059","0.1112","","","","","","1.032","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001513","12.2752","0.0013","8.253","0.0008","22.052","0.002","90","","90","","90","","2234","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-(2-aminoethyl)-4-nitroaniline formic acid (salt)","","- C9 H13 N3 O4 -","- C9 H13 N3 O4 -","- C72 H104 N24 O32 -","8","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1016","0.0489","","","0.1027","0.1136","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001514","5.608","0.003","11.314","0.005","9.573","0.005","90","","101.784","0.008","90","","594.6","0.5","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline acetic acid (salt)","","- C10 H15 N3 O4 -","- C10 H15 N3 O4 -","- C20 H30 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1355","0.0542","","","0.0813","0.0997","","","","","","0.985","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001515","10.3601","0.0008","12.1853","0.0009","10.5378","0.0008","90","","101.082","0.002","90","","1305.5","0.17","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","N-(2-aminoethyl)-4-nitroaniline - propionic acid (salt)","","- C11 H17 N3 O4 -","- C11 H17 N3 O4 -","- C44 H68 N12 O16 -","4","2","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.0718","0.0506","","","0.1065","0.1108","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001516","4.8677","0.0005","12.5586","0.0013","11.3875","0.0012","90","","99.521","0.002","90","","686.55","0.12","298","2","298","2","","","","","","","","4","P 1 c 1","P -2yc","7","","N-(2-aminoethyl)-4-nitroaniline butyric acid (salt)","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C24 H38 N6 O8 -","2","1","","Prakash, M. Jaya; Radhakrishnan, T. P.","Second Harmonic Generation from a Homologous Series of Molecular Crystals: Impact of Supramolecular Interactions","Chemistry of Materials","2006","18","13","2943","","10.1021/cm052607q","","","0.71073","MoKα","","0.1562","0.0596","","","0.1251","0.1519","","","","","","1.028","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001517","9.0906","","9.0906","","9.0906","","90","","90","","90","","751.238","","","","293","","","","","","","","","2","I -4 3 m","I -4 2 3","217","","","","- Pd2.352 Zn10.648 -","- Pd2.351 Zn10.649 -","- Pd9.404 Zn42.596 -","4","0.0833333","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.013","0.013","","","0.0268","0.0268","","","","1.33","1.33","1.33","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001518","12.929","","9.112","","33.32","","90","","90","","90","","3925.4","","","","293","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Pd16.68 Zn52.32 -","- Pd16.68 Zn52.32 -","- Pd66.72 Zn209.28 -","4","","","Gourdon, Olivier; Miller, Gordon J.","Intergrowth Compounds in the Zn-Rich Zn−Pd System: Toward 1D Quasicrystal Approximants","Chemistry of Materials","2006","18","7","1848","","10.1021/cm0526415","","","0.71069","MoKα","","0.0758","0.0288","","","0.0385","0.0442","","","","1.85","1.85","1.46","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001519","16.3528","0.0019","8.9386","0.001","48.989","0.006","90","","98.216","0.002","90","","7087.3","1.4","293","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C69 H102 P4 Pt2 -","- C69 H102 P4 Pt2 -","- C276 H408 P16 Pt8 -","4","1","","Liu, Li; Wong, Wai-Yeung; Poon, Suk-Yue; Shi, Jian-Xin; Cheah, Kok-Wai; Lin, Zhenyang","Effect of Acetylenic Chain Length on the Tuning of Functional Properties in Fluorene-Bridged Polymetallaynes and Their Molecular Model Compounds","Chemistry of Materials","2006","18","5","1369","","10.1021/cm052655a","","","0.71073","MoKα","","0.1509","0.0708","","","0.1467","0.1817","","","","","","0.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001520","12.2213","0.0002","18.1079","0.0002","20.3613","0.0002","90","","102.263","0.003","90","","4403.18","0.11","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis((μ2-diethylphosphato-O,O')-di-t-butyl-aluminium)","","- C40 H56 Al2 O8 P2 -","- C40 H56 Al2 O8 P2 -","- C160 H224 Al8 O32 P8 -","4","1","","Florjańczyk, Zbigniew; Lasota, Anna; Wolak, Andrzej; Zachara, Janusz","Organically Modified Aluminum Phosphates: Synthesis and Characterization of Model Compounds Containing Diphenyl Phosphate Ligands","Chemistry of Materials","2006","18","7","1995","","10.1021/cm0526718","","","0.71073","MoKα","","0.06","0.0454","","","0.1038","0.1092","","","","","","1.056","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4001521","15.1307","0.0003","8.423","0.0002","16.6322","0.0004","90","","100.42","0.001","90","","2084.75","0.08","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N3 O5.5 P Zn -","- C6 H11 N3 O5.5 P Zn -","- C48 H88 N24 O44 P8 Zn8 -","8","1","","Chen, Lan; Bu, Xianhui","Histidine-Controlled Two-Dimensional Assembly of Zinc Phosphite Four-Ring Units","Chemistry of Materials","2006","18","7","1857","","10.1021/cm052801c","","","0.71073","MoKα","","0.0413","0.0317","","","0.081","0.0851","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001522","23.7807","0.0015","23.7807","0.0015","13.4664","0.0012","90","","90","","120","","6595.3","0.8","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C4 H17 Ga2 N3 O10 P2 -","- C4 H13 Ga2 N3 O10 P2 -","- C72 H234 Ga36 N54 O180 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0335","0.0272","","","0.0844","0.0874","","","","","","1.015","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001523","23.74","0.0016","23.74","0.0016","13.4851","0.0013","90","","90","","120","","6581.8","0.9","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Co0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Co1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0465","0.0324","","","0.1039","0.1081","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001524","23.7422","0.0007","23.7422","0.0007","13.4888","0.0006","90","","90","","120","","6584.8","0.4","295","2","295","2","","","","","","","","8","R -3 :H","-R 3","148","","","","- C4 H15.1 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C4 H13 Co0.1 Cr0.1 Ga1.8 N3 O9 P2 -","- C72 H234 Co1.8 Cr1.8 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0491","0.0422","","","0.116","0.1194","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001525","23.6965","0.0013","23.6965","0.0013","13.5437","0.001","90","","90","","120","","6586.2","0.7","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Fe0.2 Ga1.8 N3 O9 P2 -","- C4 H12 Fe0.2 Ga1.8 N3 O9 P2 -","- C72 H216 Fe3.6 Ga32.4 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.1072","0.0432","","","0.1119","0.1235","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001526","23.6635","0.0014","23.6635","0.0014","13.5686","0.0011","90","","90","","120","","6580","0.8","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.15 Ga1.85 Mn0.15 N3 O9 P2 -","- C4 H13 Ga1.85 Mn0.15 N3 O9 P2 -","- C72 H234 Ga33.3 Mn2.7 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0703","0.0429","","","0.1207","0.1289","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001527","23.6899","0.0011","23.6899","0.0011","13.5483","0.0009","90","","90","","120","","6584.8","0.6","295","2","295","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15.2 Ga1.8 N3 O9 P2 Zn0.2 -","- C4 H13 Ga1.8 N3 O9 P2 Zn0.2 -","- C72 H234 Ga32.4 N54 O162 P36 Zn3.6 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0628","0.0388","","","0.1112","0.118","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001528","23.716","0.003","23.716","0.003","13.447","0.002","90","","90","","120","","6550","1.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C4 H15 Cr0.1 Ga1.9 N3 O9 P2 -","- C4 H13 Cr0.1 Ga1.9 N3 O9 P2 -","- C72 H234 Cr1.8 Ga34.2 N54 O162 P36 -","18","1","","Lin, Chia-Her; Yang, Ya-Ching; Chen, Chun-Yu; Wang, Sue-Lein","Unequivocal Heteroatom Insertion into a 24-Ring Channel Gallophosphate and Its Photoluminescence","Chemistry of Materials","2006","18","8","2095","","10.1021/cm052859r","","","0.71073","MoKα","","0.0601","0.0397","","","0.1276","0.1356","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001529","12.415","0.011","12.62","0.02","14.55","0.01","86.51","","84.536","0.015","87.16","","2263","4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","- C60 H78 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.916","","","0.0482","0.0481","","","0.135","0.1352","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001530","14.0512","0.001","15.1392","0.001","15.1699","0.001","61.6172","0.0013","84.3734","0.0014","84.1186","0.0016","2819.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","- C84 H102 P6 S32 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0528","0.0362","","","0.0773","0.0932","","","","","","1.114","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001531","23.659","0.003","23.659","0.002","16.9604","0.0018","90","0.003","90","0.003","120","0.003","8221.7","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C84 H102 P6 S32 W6 -","- C83.96 H96 P6 S32 W6 -","- C251.88 H288 P18 S96 W18 -","3","0.166667","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.0588","0.0388","","","0.0879","0.0969","","","","","","1.12","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001532","16.8243","0.0013","17.4251","0.0013","18.9027","0.0014","106.185","0.002","101.5","0.002","112.613","0.002","4609.8","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","- C124 H66 O10 P6 S56 W6 -","1","0.5","","Yuan, Min; Ülgüt, Burak; McGuire, Michael; Takada, Kazutake; DiSalvo, Francis J.; Lee, Stephen; Abruña, Héctor","W6S8Inorganic Clusters with Organic TTF Derivative Ligands: in Pursuit of Multidimensional Conductive Networks","Chemistry of Materials","2006","18","18","4296","","10.1021/cm0600071","","","0.71073","MoKα","","0.1585","0.0777","","","0.1922","0.2399","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001533","15.8524","0.0003","10.4636","0.0002","15.8729","0.0003","90","","105.021","0.0009","90","","2542.93","0.08","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N5 Na O4 S2 -","- C22 H28 N5 Na O4 S2 -","- C88 H112 N20 Na4 O16 S8 -","4","1","","Lebel, Olivier; Perron, Marie-Ève; Maris, Thierry; Zalzal, Sylvia F.; Nanci, Antonio; Wuest, James D.","A New Class of Selective Low-Molecular-Weight Gelators Based on Salts of Diaminotriazinecarboxylic Acids","Chemistry of Materials","2006","18","16","3616","","10.1021/cm060056d","","","1.54178","CuKα","","0.0636","0.0401","","","0.0996","0.1089","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001534","11.2","0.003","11.38","0.003","14.449","0.004","80.357","0.005","82.319","0.004","61.405","0.004","1591.1","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H32 O2 P2 -","- C39 H32 O2 P2 -","- C78 H64 O4 P4 -","2","1","","Padmaperuma, Asanga B.; Sapochak, Linda S.; Burrows, Paul E.","New Charge Transporting Host Material for Short Wavelength Organic Electrophosphorescence: 2,7-Bis(diphenylphosphine oxide)-9,9-dimethylfluorene","Chemistry of Materials","2006","18","9","2389","","10.1021/cm0600677","","","0.71073","MoKα","","0.0586","0.0425","","","0.1105","0.1222","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001535","10.9717","","7.5778","","5.4103","","90","","90","","90","","449.82","","150","","293","","","","","","","","","4","P n m 21","P 2bc -2bc","31","","","","- Bi0.597 Ca0.403 Mn O3 -","- Bi0.5965 Ca0.4035 Mn O3 -","- Bi4.772 Ca3.228 Mn8 O24 -","8","2","","Giot, M.; Beran, P.; Pérez, O.; Malo, S.; Hervieu, M.; Raveau, B.; Nevriva, M.; Knizek, K.; Roussel, P.","Bi1-xCaxMnO3(x= 0.4 and 0.45): X-ray Single-Crystal and Electron Microscopy Study","Chemistry of Materials","2006","18","14","3225","","10.1021/cm060222h","","","0.71069","MoKα","","0.098","0.0684","","","0.0746","0.0922","","","","4.8","4.8","4.92","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001536","21.408","0.0005","4.8379","0.0001","17.0953","0.0004","90","","110.196","0.001","90","","1661.7","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 S2 -","- C34 H54 S2 -","- C68 H108 S4 -","2","0.5","","Pan, Hualong; Li, Yuning; Wu, Yiliang; Liu, Ping; Ong, Beng S.; Zhu, Shiping; Xu, Gu","Synthesis and Thin-Film Transistor Performance of Poly(4,8-didodecylbenzo[1,2-b:4,5-b‘]dithiophene)","Chemistry of Materials","2006","18","14","3237","","10.1021/cm0602592","","","1.54178","CuKα","","0.0748","0.062","","","0.2028","0.2188","","","","","","1.056","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001537","10.219","0.0004","13.9566","0.0015","17.26","0.002","90","","90.193","0.005","90","","2461.7","0.4","293","","293","","","","","","","","synthesised by authors","5","P 1 21/a 1","-P 2yab","14","","","","- Cs2 Ga6 H5.1 O27.55 P6 -","- Cs2 Ga6 H2 O27.549 P6 -","- Cs8 Ga24 H8 O110.196 P24 -","4","1","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0911","0.0419","","","0.0396","0.0443","","","","1.33","1.33","1.17","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001538","10.1662","0.0004","13.9762","0.0012","16.931","0.002","90","","90","","90","","2405.6","0.4","293","","293","","","","","","","","synthesised by authors","5","P c a b","-P 2bc 2ac","61","","","","- Cs2 Ga6 H2 O26 P6 -","- Cs2 Ga6 H2 O26 P6 -","- Cs8 Ga24 H8 O104 P24 -","4","0.5","","Lesage, J.; Guesdon, A.; Hervieu, M.; Raveau, B.","Unusual Mobility of Cesium via a Reversible Topotactic Dehydration Reaction in a New Hydroxygallophosphate with an Intersecting Tunnel Structure","Chemistry of Materials","2006","18","12","2895","","10.1021/cm060275z","","","0.71069","MoKα","","0.0555","0.0272","","","0.0274","0.0312","","","","1.28","1.28","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001539","12.4604","0.0014","14.1435","0.0016","17.475","0.002","99.357","0.002","99.182","0.002","114.271","0.002","2680.9","0.5","173","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H16 F10 Si -","- C30 H16 F10 Si -","- C120 H64 F40 Si4 -","4","2","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.0612","0.0364","","","0.081","0.0863","","","","","","0.852","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001540","7.513","0.003","7.585","0.003","28.128","0.01","92.498","0.005","92.18","0.006","116.885","0.005","1425.3","1","173","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H8 F18 S -","- C34 H8 F18 S -","- C68 H16 F36 S2 -","2","1","","Geramita, Katharine; McBee, Jennifer; Shen, Yulong; Radu, Nora; Tilley, T. Don","Synthesis and Characterization of Perfluoroaryl-Substituted Siloles and Thiophenes: A Series of Electron-Deficient Blue Light Emitting Materials","Chemistry of Materials","2006","18","14","3261","","10.1021/cm060346u","","","0.71073","MoKα","","0.1448","0.0845","","","0.2048","0.2191","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001541","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Murata, Hidenori; Delen, Zeynep; Lahti, Paul M.","Strong Ferromagnetic Exchange in 2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5- tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","Chemistry of Materials","2006","18","11","2625","","10.1021/cm060378h","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001542","11.692","0.004","18.023","0.007","11.772","0.005","90","","90.71","0.02","90","","2480.5","1.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C24 H56 Cu4 O8 P4 Se8 -","- C24 H56 Cu4 O8 P4 Se8 -","- C48 H112 Cu8 O16 P8 Se16 -","2","1","","Hsu, Yung-Jung; Hung, Chiu-Ming; Lin, Yi-Feng; Liaw, Ben-Jie; Lobana, Tarlok S.; Lu, Shih-Yuan; Liu, C. W.","[Cu4{Se2P(OiPr)2}4]: A Novel Precursor Enabling Preparation of Nonstoichiometric Copper Selenide (Cu2-xSe) Nanowires","Chemistry of Materials","2006","18","14","3323","","10.1021/cm060478n","","","0.71073","MoKα","","0.0859","0.0712","","","0.1462","0.1534","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001543","6.2089","0.0007","8.9509","0.0011","23.295","0.003","90","","90","","90","","1294.6","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0496","0.048","","","0.1393","0.1412","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001544","5.5431","0.0011","7.4791","0.0014","16.19","0.003","82.779","0.003","88.9","0.004","71.49","0.003","631.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Cl N O2 -","- C13 H18 Cl N O2 -","- C26 H36 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0555","0.0529","","","0.1522","0.163","","","","","","1.121","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001545","5.541","0.0013","7.4502","0.0018","17.662","0.004","90.182","0.005","92.714","0.004","108.56","0.004","690.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C28 H40 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0487","0.0418","","","0.1115","0.1278","","","","","","1.086","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001546","5.5021","0.0008","7.4745","0.0011","19.108","0.003","92.671","0.003","90.828","0.003","107.964","0.002","746.36","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Cl N O2 -","- C15 H22 Cl N O2 -","- C30 H44 Cl2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.1028","0.074","","","0.223","0.2883","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001547","5.5328","0.0007","7.5138","0.0009","19.059","0.002","92.937","0.002","90.228","0.002","108.446","0.002","750.46","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O2 -","- C16 H25 N O2 -","- C32 H50 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0513","0.0414","","","0.1011","0.1073","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001548","14.342","0.002","5.776","0.0008","51.085","0.007","90","","90","","90","","4231.9","1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H32 Br N O2 -","- C20 H32 Br N O2 -","- C160 H256 Br8 N8 O16 -","8","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0881","0.0664","","","0.1693","0.1827","","","","","","1.168","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001549","26.525","0.004","14.2644","0.0019","5.7997","0.0008","90","","93.063","0.002","90","","2191.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Br N O2 -","- C21 H34 Br N O2 -","- C84 H136 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0669","0.0422","","","0.1056","0.1187","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001550","28.972","0.004","14.2687","0.0017","5.78","0.0007","90","","95.027","0.002","90","","2380.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Br N O2 -","- C23 H38 Br N O2 -","- C92 H152 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0925","0.0474","","","0.1015","0.1167","","","","","","0.988","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001551","5.5628","0.0004","7.5055","0.0005","16.4604","0.0011","82.449","0.001","88.785","0.001","71.481","0.001","645.86","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0237","0.0235","","","0.0637","0.0639","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001552","5.5611","0.001","7.4809","0.0013","17.889","0.003","88.908","0.003","87.831","0.003","71.593","0.003","705.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Br N O2 -","- C14 H20 Br N O2 -","- C28 H40 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0323","0.029","","","0.072","0.0761","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001553","5.5215","0.0005","7.5087","0.0006","19.083","0.0016","93.13","0.001","90.752","0.002","108.131","0.001","750.38","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0265","0.0259","","","0.0747","0.0751","","","","","","1.069","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001554","5.5753","0.0011","7.7318","0.0015","20.485","0.004","87.193","0.003","88.939","0.003","72.223","0.003","839.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br N O2 -","- C16 H24 Br N O2 -","- C32 H48 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0668","0.0448","","","0.1139","0.1239","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001555","24.134","0.007","14.298","0.004","5.8109","0.0017","90","","91.786","0.005","90","","2004.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 Br N O2 -","- C19 H30 Br N O2 -","- C76 H120 Br4 N4 O8 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.076","0.0438","","","0.1025","0.1183","","","","","","1.009","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001556","5.5484","0.0005","7.4632","0.0007","16.9022","0.0016","90.896","0.002","99.105","0.002","107.802","0.002","656.46","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H18 Br N O2 -","- C13 H18 Br N O2 -","- C26 H36 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0426","0.042","","","0.1136","0.114","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001557","5.5108","0.0008","7.5698","0.0011","19.051","0.003","82.296","0.003","82.827","0.002","72.395","0.002","747.67","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H22 Br N O2 -","- C15 H22 Br N O2 -","- C30 H44 Br2 N2 O4 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","New Series of Organogelators Derived from a Combinatorial Library of Primary Ammonium Monocarboxylate Salts","Chemistry of Materials","2006","18","16","3795","","10.1021/cm0605015","","","0.71073","MoKα","","0.0316","0.0304","","","0.0847","0.0889","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001558","12.7129","0.0012","19.784","0.003","22.611","0.002","103.268","0.006","97.491","0.004","102.145","0.01","5315","1.1","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C48.5 H46.5 Cl1.5 F9 La N2 O10 S3 -","- C194 H186 Cl6 F36 La4 N8 O40 S12 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.1071","0.0752","","","0.172","0.19","","","","","","0.937","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001559","15.1196","0.0011","18.5236","0.001","20.6386","0.0012","70.89","0.003","80.255","0.004","66.575","0.004","5006.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 F9 La N2 O10 -","- C46 H46 F9 La N2 O10 -","- C184 H184 F36 La4 N8 O40 -","4","2","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0911","0.0627","","","0.1504","0.1684","","","","","","0.923","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001560","12.354","0.003","12.972","0.004","19.357","0.004","101.524","0.016","93.225","0.015","108.121","0.016","2865.3","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H53 Cl3 F9 N2 Nd O10 -","- C55 H53 Cl3 F9 N2 Nd O10 -","- C110 H106 Cl6 F18 N4 Nd2 O20 -","2","1","","Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen","Lanthanide-Containing Metallomesogens with Low Transition Temperatures","Chemistry of Materials","2006","18","16","3698","","10.1021/cm060644r","","","1.54178","CuKα","","0.0932","0.0673","","","0.1601","0.1747","","","","","","0.966","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001561","7.4632","0.0015","11.523","0.002","13.944","0.003","90","","94.06","0.03","90","","1196.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","terbium dicyanamide dihydrate","terbium dicyanamide dihydrate","","- C6 H4 N9 O2 Tb -","- C6 H4 N9 O2 Tb -","- C24 H16 N36 O8 Tb4 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","","","0.71073","MoKα","","0.0334","0.0193","","","0.0376","0.0419","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001562","7.478","0.0004","11.5429","0.0005","13.9756","0.0007","90","","93.998","0.004","90","","1203.41","0.1","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Europium Dicyanamide Dihydrate","Europium Dicyanamide Dihydrate","","- C6 H4 Eu N9 O2 -","- C6 H4 Eu N9 O2 -","- C24 H16 Eu4 N36 O8 -","4","1","","Nag, Abanti; Schmidt, Peter J.; Schnick, Wolfgang","Synthesis and Characterization of Tb[N(CN)2]3·2H2O and Eu[N(CN)2]3·2H2O: Two New Luminescent Rare-Earth Dicyanamides","Chemistry of Materials","2006","18","24","5738","","10.1021/cm0607029","powder diffraction","x-ray","0.7093","MoKα1","","","","","","","","0.08029","","1.13","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001563","6.1661","0.0003","27.6363","0.0012","8.4503","0.0004","90","","95.712","0.001","90","","1432.85","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H13 Br4 N3 Pb -","- C6 H13 Br4 N3 Pb -","- C24 H52 Br16 N12 Pb4 -","4","1","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel ⟨ 110⟩ -Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0688","0.0667","","","0.1882","0.1909","","","","","","1.039","","","","has coordinates","271475","2021-12-16","11:44:06",""
"4001564","20.0844","0.0019","7.9836","0.0008","13.0105","0.0012","90","","90","","90","","2086.2","0.3","466","2","466","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H13 Br2 N3 -","- C6 H13 Br2 N3 -","- C48 H104 Br16 N24 -","8","2","","Li, Y. Y.; Lin, C. K.; Zheng, G. L.; Cheng, Z. Y.; You, H.; Wang, W. D.; Lin, J.","Novel 〈110〉-Oriented Organic−Inorganic Perovskite Compound Stabilized byN-(3-Aminopropyl)imidazole with Improved Optical Properties","Chemistry of Materials","2006","18","15","3463","","10.1021/cm060714u","","","0.71073","MoKα","","0.0399","0.0323","","","0.0724","0.074","","","","","","0.933","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001565","6.7435","0.0003","6.7555","0.0004","6.7608","0.0004","91.221","0.004","94.288","0.004","94.443","0.005","306.09","0.03","300","","300","","","","","","","","","3","P -1","-P 1","2","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","- Mg Mo6 Se8 -","1","0.5","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Isnard, O.; Djurado, D.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 2. The Crystal Structure of Triclinic MgMo6Se8","Chemistry of Materials","2006","18","16","3705","","10.1021/cm060715m","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","0.8567","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001566","8.9807","0.0004","18.1461","0.0009","11.2254","0.0005","90","","101.851","0.001","90","","1790.35","0.14","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1038 cs Ph2-Bor-Br2Oxinat","","","- C21 H14 B Br2 N O -","- C21 H14 B Br2 N O -","- C84 H56 B4 Br8 N4 O4 -","4","1","","Kappaun, Stefan; Rentenberger, Stephan; Pogantsch, Alexander; Zojer, Egbert; Mereiter, Kurt; Trimmel, Gregor; Saf, Robert; Möller, Kai C.; Stelzer, Franz; Slugovc, Christian","Organoboron Quinolinolates with Extended Conjugated Chromophores: Synthesis, Structure, and Electronic and Electroluminescent Properties","Chemistry of Materials","2006","18","15","3539","","10.1021/cm060720q","","","0.71073","MoKα","","0.0371","0.0251","","","0.0588","0.0642","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001567","13.898","0.003","16.381","0.003","9.835","0.002","90","","110.45","0.03","90","","2098","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs10 Fe14 K8 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","- Cs9.296 Fe14 K8.704 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0538","0.0518","","","0.1368","0.1382","","","","","","0.984","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001568","13.899","0.003","16.397","0.003","9.83","0.002","90","","110.4","0.03","90","","2099.8","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.9 Fe14 K0 Li6.1 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","- Cs11.894 Fe14 Li6.106 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0802","0.064","","","0.1201","0.1263","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001569","13.744","0.003","16.502","0.003","9.807","0.002","90","","109.97","0.03","90","","2090.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs0.75 Fe1.08 K0 Na0.64 O6.15 P1.54 -","- Cs0.748154 Fe1.07692 Na0.636462 O6.15385 P1.53846 -","- Cs9.726 Fe14 Na8.274 O80 P20 -","13","3.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1331","0.1156","","","0.2121","0.22","","","","","","1.216","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001570","13.762","0.003","16.508","0.003","9.84","0.002","90","","110.29","0.03","90","","2096.8","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.26 Fe14 K6.74 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","- Cs11.256 Fe14 K6.744 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1163","0.0911","","","0.1407","0.1496","","","","","","1.234","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001571","13.901","0.003","16.392","0.003","9.827","0.002","90","","110.49","0.03","90","","2097.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- Cs8.5 Fe14 K5.71 O80 P20 Rb3.79 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","- Cs8.508 Fe14 K5.712 O80 P20 Rb3.78 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.0982","0.0702","","","0.1115","0.1199","","","","","","1.178","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001572","13.795","0.003","16.463","0.003","9.848","0.002","90","","110.1","0.03","90","","2100.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Cs11.35 Fe14 K6.65 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","- Cs11.348 Fe14 K6.652 O80 P20 -","1","0.25","","Becht, Greg; Hwu, Shiou-Jyh","Hydrothermal Ion Exchange on Submillimeter-Size Single Crystals of a New Iron(III) Phosphate","Chemistry of Materials","2006","18","18","4221","","10.1021/cm0607482","","","0.71073","MoKα","","0.1025","0.0778","","","0.1142","0.1224","","","","","","1.194","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001573","11.9343","0.0007","21.222","0.0013","11.9882","0.0007","90","","117.077","0.001","90","","2703.5","0.3","571","2","571","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.43 Te12 -","- Ba3 Cu13.429 Te12 -","- Ba12 Cu53.716 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0596","0.0506","","","0.1111","0.114","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001574","11.9091","0.0018","21.174","0.004","11.9826","0.0018","90","","117.071","0.004","90","","2690.5","0.8","180","2","180","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Ba3 Cu13.65 Te12 -","- Ba3 Cu13.6475 Te12 -","- Ba12 Cu54.59 Te48 -","4","1","","Assoud, Abdeljalil; Thomas, Stephanie; Sutherland, Brodie; Zhang, Huqin; Tritt, Terry M.; Kleinke, Holger","Thermoelectric Properties of the New Polytelluride Ba3Cu14-δTe12","Chemistry of Materials","2006","18","16","3866","","10.1021/cm060776k","","","0.71073","MoKα","","0.0591","0.0451","","","0.0877","0.0919","","","","","","1.131","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001575","5.7668","0.0016","7.551","0.002","12.884","0.004","85.131","0.007","88.367","0.007","89.927","0.008","558.8","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C24 H12 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.775","MoKα","","0.0972","0.081","","","0.2328","0.2434","","","","","","1.125","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001576","7.4265","0.0011","5.7172","0.0008","14.84","0.002","90","","102.336","0.002","90","","615.54","0.15","123","2","123","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H8 S4 -","- C13.58 H7.58 S3.58 -","- C27.16 H15.16 S7.16 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0937","0.0577","","","0.1468","0.17","","","","","","0.93","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001577","23.66","0.005","5.9832","0.0012","15.709","0.003","90","","90","","90","","2223.8","0.8","123","2","123","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 S4 -","- C12 H6 S4 -","- C96 H48 S32 -","8","2","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0596","0.0341","","","0.0755","0.0839","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001578","5.7083","0.0015","8.616","0.002","13.272","0.004","88.226","0.006","77.637","0.006","82.068","0.006","631.5","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S4 -","- C14 H8 S4 -","- C28 H16 S8 -","2","1","","Zhang, Xinnan; Johnson, James P.; Kampf, Jeff W.; Matzger, Adam J.","Ring Fusion Effects on the Solid-State Properties of α-Oligothiophenes","Chemistry of Materials","2006","18","15","3470","","10.1021/cm0609348","","","0.71073","MoKα","","0.0773","0.0567","","","0.1436","0.1541","","","","","","1.025","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001579","6.1731","0.0005","6.1731","0.0005","6.1731","0.0005","90","","90","","90","","235.24","0.03","293","2","293","2","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ag1.33 Sb1.33 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","- Ag1.32 Sb1.32 Sn1.33 Te4 -","1","0.0208333","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0273","0.0135","","","0.0277","0.0382","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001580","4.365","0.0005","4.365","0.0005","6.1731","0.0005","90","","90","","90","","117.62","0.02","293","2","293","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Ag0.67 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","- Ag0.66 Sb0.67 Sn0.67 Te2 -","1","0.0625","","Androulakis, John; Pcionek, Robert; Quarez, Eric; Do, Jun-Huang; Kong, Huijun; Palchik, Oleg; Uher, C.; D'Angelo, Jonathan James; Short, Jarrod; Hogan, Tim; Kanatzidis, Mercouri G.","Coexistence of Large Thermopower and Degenerate Doping in the Nanostructured Material Ag0.85SnSb1.15Te3","Chemistry of Materials","2006","18","20","4719","","10.1021/cm061151p","","","0.71073","MoKα","","0.0209","0.0136","","","0.0303","0.037","","","","","","0.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001581","29.272","0.0019","11.7396","0.0007","11.2259","0.0007","90","","110.548","0.003","90","","3612.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","beta-phase BPBN","biphenyl-3,5-diyl bis(tert-butyl nitroxide)","","- C20 H26 N2 O2 -","- C20 H26 N2 O2 -","- C160 H208 N16 O16 -","8","1","","Nishimaki, Hirokazu; Mashiyama, Shinichiro; Yasui, Masanori; Nogami, Takashi; Ishida, Takayuki","Bistable Polymorphs Showing Diamagnetic and Paramagnetic States of an Organic Crystalline Biradical Biphenyl-3,5-diyl Bis(tert-butylnitroxide)","Chemistry of Materials","2006","18","16","3602","","10.1021/cm061222k","","","0.71073","MoKα","","0.0438","0.0358","","","0.098","0.1001","","","","","","1.054","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001582","9.2145","0.0002","9.2145","0.0002","6.1938","0.0002","90","","90","","120","","455.44","0.02","293","2","293","2","","","","","","","synthesis as described","3","P 63/m c m","-P 6c 2","193","","","","- Sb5 Sc U3 -","- Sb5 Sc U3 -","- Sb10 Sc2 U6 -","2","0.0833333","","Mar, Arthur; Tougait, Olivier; Potel, Michel; Noël, Henri; Lopes, Elsa B.","Anisotropic Transport and Magnetic Properties of Ternary Uranium Antimonides U3ScSb5and U3TiSb5","Chemistry of Materials","2006","18","18","4533","","10.1021/cm061281y","","x-ray","0.71069","MoKα","","0.0329","0.0288","","","0.0677","0.0704","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001583","7.912","0.0011","9.215","0.0015","14.86","0.002","86.59","0.006","78.66","0.01","86.46","0.011","1059","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0904","0.0666","","","0.1221","0.1326","","","","","","1","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001584","7.9371","0.0011","9.2656","0.0015","14.922","0.002","86.736","0.006","78.692","0.01","86.227","0.011","1072.7","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0942","0.0595","","","0.1005","0.1245","","","","","","1.001","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001585","7.986","0.0012","9.341","0.0017","14.956","0.003","87","0.006","79.037","0.012","85.846","0.011","1091.6","0.3","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0974","0.0614","","","0.1054","0.1321","","","","","","1.004","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001586","7.9487","0.0005","9.8685","0.0009","14.6035","0.0013","91.109","0.003","98.639","0.005","95.885","0.005","1125.85","0.16","350","2","350","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0901","0.07","","","0.1318","0.1392","","","","","","1.004","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001587","7.9769","0.0008","9.8759","0.0012","14.674","0.0018","91.1","0.004","98.773","0.007","95.976","0.007","1135.5","0.2","400","2","400","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H23 Fe N7 S2 -","- C19 H23 Fe N7 S2 -","- C38 H46 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.1167","0.0637","","","0.1277","0.1443","","","","","","1.004","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001588","7.8118","0.0005","10.217","0.0006","14.3138","0.0009","90.998","0.005","95.67","0.005","97.677","0.005","1126.11","0.12","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 Br Fe N7 S2 -","- C19 H22 Br Fe N7 S2 -","- C38 H44 Br2 Fe2 N14 S4 -","2","1","","Bréfuel, Nicolas; Shova, Sergiu; Lipkowski, Janusz; Tuchagues, Jean-Pierre","FeIIBi-Stable Materials Based on Dissymmetrical Ligands: N4Schiff Bases Including 2-Pyridyl and 5-Methylimidazol-4-yl Rings Yield Various FeIISpin-Crossover Phenomena around 300 K","Chemistry of Materials","2006","18","23","5467","","10.1021/cm061524m","","","0.71073","MoKα","","0.0426","0.0363","","","0.095","0.0985","","","","","","0.953","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001589","7.028","0.0014","11.757","0.002","13.503","0.003","90","","90","","90","","1115.7","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- H6 Na3 O12 Si3 Tb -","- H6 Na3 O12 Si3 Tb -","- H24 Na12 O48 Si12 Tb4 -","4","1","","Wang, Guangmei; Li, Jiyang; Yu, Jihong; Chen, Peng; Pan, Qinhe; Song, Hongwei; Xu, Ruren","Na3TbSi3O9·3H2O: A New Luminescent Microporous Terbium(III) Silicate Containing HelicalSechserSilicate Chains and 9-Ring Channels","Chemistry of Materials","2006","18","24","5637","","10.1021/cm061578w","","","0.71073","MoKα","","0.0172","0.0168","","","0.0419","0.042","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001590","9.074","0.003","9.23","0.003","9.309","0.003","76.446","0.005","87.343","0.005","89.388","0.005","757.1","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H9 Al3 F N2 O12 P3 -","- C5 H9 Al3 F N2 O12 P3 -","- C10 H18 Al6 F2 N4 O24 P6 -","2","1","","Parnham, Emily R.; Morris, Russell E.","1-Alkyl-3-methyl Imidazolium Bromide Ionic Liquids in the Ionothermal Synthesis of Aluminium Phosphate Molecular Sieves","Chemistry of Materials","2006","18","20","4882","","10.1021/cm0615929","","","0.6933","synchrotron","","0.0555","0.0403","","","0.1117","0.1203","","","","","","1.041","","","","has coordinates","189835","2020-10-21","18:00:00",""
"4001591","11.2403","0.0003","11.9611","0.0004","15.8334","0.0007","93.619","0.001","93.373","0.002","117.863","0.002","1868.76","0.12","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 F6 N2 P S -","- C18 H19 F6 N2 P S -","- C72 H76 F24 N8 P4 S4 -","4","2","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0801","0.0523","","","0.1265","0.1426","","","","","","1.022","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001592","11.1697","0.0002","11.6675","0.0003","13.0687","0.0003","91.495","0.001","104.711","0.001","99.428","0.001","1620.97","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H39 B N2 S -","- C42 H39 B N2 S -","- C84 H78 B2 N4 S2 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0586","0.0467","","","0.1194","0.1276","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001593","13.2042","0.0006","11.2894","0.0005","15.976","0.0008","90","","94.29","0.002","90","","2374.83","0.19","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N2 O4.5 S2 -","- C25 H29 N2 O4.5 S2 -","- C100 H116 N8 O18 S8 -","4","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.0876","0.0555","","","0.1091","0.1208","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001594","7.63","0.012","10.007","0.015","16.8","0.02","104.12","0.13","91.96","0.11","108.19","0.09","1173","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 N2 O3 S2 -","- C27 H28 N2 O3 S2 -","- C54 H56 N4 O6 S4 -","2","1","","Coe, Benjamin J.; Harris, James A.; Hall, Jonathan J.; Brunschwig, Bruce S.; Hung, Sheng-Ting; Libaers, Wim; Clays, Koen; Coles, Simon J.; Horton, Peter N.; Light, Mark E.; Hursthouse, Michael B.; Garín, Javier; Orduna, Jesús","Syntheses and Quadratic Nonlinear Optical Properties of Salts Containing Benzothiazolium Electron-Acceptor Groups","Chemistry of Materials","2006","18","25","5907","","10.1021/cm061594t","","","0.71073","MoKα","","0.2783","0.1514","","","0.2528","0.3016","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001595","5.810528","0.000007","5.810528","","23.88459","0.00005","90","","90","","120","","698.36","0.0017","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","","","- Ba5 Mg0.125 O15 Ta3.95 -","- Ba4.99999 Mg0.125 O15 Ta3.95 -","- Ba9.99998 Mg0.25 O30 Ta7.9 -","2","0.166667","","Mallinson, P.; Claridge, J. B.; Iddles, D.; Price, T.; Ibberson, R. M.; Allix, M.; Rosseinsky, M. J.","New 10-Layer Hexagonal Perovskites: Relationship between Cation and Vacancy Ordering and Microwave Dielectric Loss","Chemistry of Materials","2006","18","26","6227","","10.1021/cm0616477","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001596","9.4592714","0.0000006","9.4592714","0.0000006","10.5588446","0.0000005","90","","90","","120","","818.206","0.00008","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg Mo6 S8 -","- Mg0.99996 Mo6 S8 -","- Mg2.99988 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","5.6199","1.59","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001597","9.7630596","0.000001","9.7630596","0.000001","10.3689375","0.000001","90","","90","","120","","855.927","0.00015","300","","300","","","","","","","","","3","R -3","-R 3","148","Chevrel phase","zinc dihydroxide divanadate dihydrate","","- Mg2 Mo6 S8 -","- Mg1.99992 Mo6 S8 -","- Mg5.99976 Mo18 S24 -","3","","","Levi, E.; Lancry, E.; Mitelman, A.; Aurbach, D.; Ceder, G.; Morgan, D.; Isnard, O.","Phase Diagram of Mg Insertion into Chevrel Phases, MgxMo6T8(T = S, Se). 1. Crystal Structure of the Sulfides","Chemistry of Materials","2006","18","23","5492","","10.1021/cm061656f","powder diffraction","neutron","1.9106","neutron","","","","","","","","","6.6854","0.6703","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001598","10.69557","0.00022","11.32418","0.00022","8.49009","0.00015","90","","122.384","0.0011","90","","868.38","0.03","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- Ca Mn3 O6 -","- Ca Mn3 O6 -","- Ca8 Mn24 O48 -","8","2","","Hadermann, Joke; Abakumov, Artem M.; Gillie, Lisa J.; Martin, Christine; Hervieu, Maryvonne","Coupled Cation and Charge Ordering in the CaMn3O6Tunnel Structure","Chemistry of Materials","2006","18","23","5530","","10.1021/cm0618998","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001599","15.547","0.0009","22.3388","0.0013","15.6068","0.0009","90","","90.668","0.001","90","","5419.9","0.5","125","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-hexanoylcalixarene-EHMC","","","- C61 H76 O9.5 -","- C61 H76 O9.5 -","- C244 H304 O38 -","4","1","","Pojarova, Michaela; Ananchenko, Gennady S.; Udachin, Konstantin A.; Daroszewska, Malgosia; Perret, Florent; Coleman, Anthony W.; Ripmeester, John A.","Solid Lipid Nanoparticles ofp-Hexanoyl Calix[4]arene as a Controlling Agent in the Photochemistry of a Sunscreen Blocker","Chemistry of Materials","2006","18","25","5817","","10.1021/cm061993o","","","0.7107","MoKα","","0.1451","0.0944","","","0.2717","0.3268","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4001600","15.399","0.002","9.5815","0.0015","32.617","0.005","90","","103.14","0.015","90","","4686.5","1.2","108","2","108","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H38 Cl N5 W -","- C17 H38 Cl N5 W -","- C136 H304 Cl8 N40 W8 -","8","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.1456","0.0528","","","0.0685","0.0863","","","","","","0.848","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001601","8.8327","0.0006","19.0411","0.0013","15.2788","0.001","90","","101.43","0.006","90","","2518.7","0.3","105","2","108","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H41 Cl2 N5 W -","- C18 H41 Cl2 N5 W -","- C72 H164 Cl8 N20 W4 -","4","1","","Rische, Daniel; Parala, Harish; Gemel, Eliza; Winter, Manuela; Fischer, Roland A.","New Tungsten(VI) Guanidinato Complexes: Synthesis, Characterization, and Application in Metal−Organic Chemical Vapor Deposition of Tungsten Nitride Thin Films","Chemistry of Materials","2006","18","25","6075","","10.1021/cm061999d","","","0.71073","MoKα","","0.0301","0.0263","","","0.0411","0.0415","","","","","","1.954","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002016","9.1967","0.0001","23.6789","0.0005","10.7839","0.0002","90","","92.109","0.001","90","","2346.79","0.07","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-diphenyl-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C25 H26 N2 O3 Sn -","- C25 H26 N2 O3 Sn -","- C100 H104 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0514","0.0349","","","0.09","0.1022","","","","","","1.014","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002017","10.4084","0.0001","12.4262","0.0001","21.8325","0.0002","90","","90","","90","","2823.75","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0299","0.0259","","","0.064","0.0669","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002018","9.9176","0.0001","13.6235","0.0002","20.3957","0.0004","90","","90","","90","","2755.71","0.07","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-(1-methylsufanyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 S Sn -","- C28 H32 N2 O3 S Sn -","- C112 H128 N8 O12 S4 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0464","0.0325","","","0.0655","0.0711","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002019","10.3454","0.0001","12.6901","0.0002","21.4191","0.0004","90","","90","","90","","2811.99","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((2-methyl)propyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C29 H34 N2 O3 Sn -","- C29 H34 N2 O3 Sn -","- C116 H136 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0502","0.0315","","","0.062","0.0684","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002020","10.6965","0.0002","12.8584","0.0002","20.0495","0.0003","90","","90","","90","","2757.61","0.08","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-diphenyl-5-((1-methyl)ethyl)-(4´-diethylaminobenzo[h])-6-aza-1,3-dioxa-6-en-2-stannacyclononen-4-one","","- C28 H32 N2 O3 Sn -","- C28 H32 N2 O3 Sn -","- C112 H128 N8 O12 Sn4 -","4","1","","Rivera, José María; Reyes, Horacio; Cortés, Armando; Santillan, Rosa; Lacroix, Pascal G.; Lepetit, Christine; Nakatani, Keitaro; Farfán, Norberto","Second-Harmonic Generation within theP212121Space Group, in a Series of Chiral (Salicylaldiminato)tin Schiff Base Complexes","Chemistry of Materials","2006","18","5","1174","","10.1021/cm051589+","","","0.71073","MoKα","","0.0538","0.0361","","","0.0739","0.082","","","","","","1.158","","","","has coordinates","178377","2020-10-21","18:00:00",""
"9014797","9.05294","","9.05294","","9.05294","","90","","90","","90","","741.94","","","","","","","","","","","","Synthetic","3","I m -3","-I 2 2 3","204","","","Kieftite","- Co4 In0.2 Sb12 -","- Co4 In0.2 Sb12 -","- Co8 In0.4 Sb24 -","2","0.0416667","","He, T.; Chen, J.; Rosenfeld, H. D.; Subramanian, M. A.","Thermoelectric properties of indium-filled skutterudites","Chemistry of Materials","2006","18","","759","762","10.1021/cm052055b","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""