# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-10T16:30:16+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 'Journal of Materials Chemistry') AND volume = 17 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
"7202472","17.432","0.006","18.687","0.006","21.199","0.007","83.439","0.007","66.224","0.007","89.876","0.006","6271","4","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H88 S3 -","- C70 H88 S3 -","- C280 H352 S12 -","4","2","","Mathieu Surin; Prashant Sonar; Andrew C. Grimsdale; Klaus Müllen; Steven De Feyter; Satoshi Habuchi; Stefano Sarzi; Els Braeken; An Ver Heyen; Mark Van der Auweraer; Frans C. De Schryver; Massimiliano Cavallini; Jean-François Moulin; Fabio Biscarini; Cristina Femoni; Roberto Lazzaroni; Philippe Leclère","Solid-state assemblies and optical properties of conjugated oligomers combining fluorene and thiophene units","Journal of Materials Chemistry","2007","17","8","728","","10.1039/b610132a","","","0.71073","MoKα","","0.2555","0.0858","","","0.1723","0.2265","","","","","","0.918","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202473","11.0586","0.0006","25.0054","0.0011","9.3633","0.0007","90","","108.299","0.002","90","","2458.3","0.3","296","2","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C31 H30 N O -","- C31 H30 N O -","- C124 H120 N4 O4 -","4","1","","Oka, Hiroyuki; Kouno, Hiroshi; Tanaka, Hitoshi","Synthesis and through-bond spin interaction of stable 1,3-phenylene-linked polyradical carrying aminoxyls in the ?-conjugated main chain","Journal of Materials Chemistry","2007","17","12","1209","","10.1039/b610365k","","","1.54178","CuKα","","0.0494","0.0451","","","0.1087","0.1142","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202478","3.9826","0.0004","10.6","0.001","18.559","0.002","90","","91.327","0.005","90","","783.27","0.14","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O2 S2 -","- C18 H14 N2 O2 S2 -","- C36 H28 N4 O4 S4 -","2","0.5","","Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers","Journal of Materials Chemistry","2007","17","6","553","","10.1039/b611814c","","","0.7107","MoKα","","","0.0567","","","","0.1601","","","","","","1.832","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202479","3.744","0.004","6.07","0.007","15.84","0.02","91.8","0.05","96.94","0.05","84.68","0.04","355.7","0.7","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H4 F6 N2 S2 -","- C16 H4 F6 N2 S2 -","- C16 H4 F6 N2 S2 -","1","0.5","","Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers","Journal of Materials Chemistry","2007","17","6","553","","10.1039/b611814c","","","0.7107","MoKα","","","0.0306","","","","0.0794","","","","","","0.904","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202480","5.92","0.01","7.46","0.01","39.81","0.07","90","","91.24","0.08","90","","1758","5","93.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H14 N2 S2 -","- C24 H14 N2 S2 -","- C96 H56 N8 S8 -","4","1","","Ando, Shinji; Kumaki, Daisuke; Nishida, Jun-ichi; Tada, Hirokazu; Inoue, Youji; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, physical properties and field-effect transistors of novel thiazolothiazole?phenylene co-oligomers","Journal of Materials Chemistry","2007","17","6","553","","10.1039/b611814c","","","0.7107","MoKα","","","0.1572","","","","0.4359","","","","","","1.58","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202481","38.84","0.03","7.001","0.005","13.023","0.009","90","","105.84","0.03","90","","3407","4","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Cl2 Fe0.5 O S6 -","- C13 H6 Cl2 Fe0.5 O S6 -","- C104 H48 Cl16 Fe4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.06","","","","0.064","","","","","","1.14","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202482","38.916","0.009","6.9981","0.0013","13.017","0.003","90","","105.893","0.002","90","","3409.5","1.3","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Cl2 Ga0.5 O S6 -","- C13 H6 Cl2 Ga0.5 O S6 -","- C104 H48 Cl16 Ga4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.056","","","","0.046","","","","","","1.156","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202483","39.69","0.04","7.01","0.01","13.14","0.02","90","","105.27","0.04","90","","3527","8","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Br2 Fe0.5 O S6 -","- C13 H6 Br2 Fe0.5 O S6 -","- C104 H48 Br16 Fe4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.045","","","","0.05","","","","","","0.804","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202484","39.48","0.002","6.9985","0.0003","13.1181","0.0008","90","","105.114","0.003","90","","3499.2","0.3","293.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H6 Br2 Ga0.5 O S6 -","- C13 H6 Br2 Ga0.5 O S6 -","- C104 H48 Br16 Ga4 O8 S48 -","8","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.076","","","","0.073","","","","","","1.079","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202485","13","0.02","6.908","0.008","20.11","0.03","99.86","0.05","105.13","0.03","89.97","0.06","1716","4","90","","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H12 Br4 Fe O2 S12 -","- C26 H12 Br4 Fe O2 S12 -","- C52 H24 Br8 Fe2 O4 S24 -","2","1","","Hiraoka, Takashi; Fujiwara, Hideki; Sugimoto, Toyonari; Nakazumi, Hiroyuki; Noguchi, Satoru; Kuribayashi, Akihiro; Ishida, Takekazu; Yokogawa, Keiichi; Murata, Keizo; Mori, Takehiko; Aruga-Katori, Hiroko; Kimura, Shojiro; Hagiwara, Masayuki","Metal?semiconductor structural phase transitions and antiferromagnetic orderings in (Benzo-TTFVO)2?MX4 (M = Fe, Ga; X = Cl, Br) salts","Journal of Materials Chemistry","2007","17","17","1664","","10.1039/b612053a","","","0.7107","MoKα","","","0.048","","","","0.061","","","","","","1.033","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202486","21.5093","0.0005","29.6734","0.0008","36.0736","0.0009","90","","90","","90","","23024.1","1","290","2","290","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0573","0.0363","","","0.0979","0.1181","","","","","","1.055","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202487","21.4775","0.0005","29.6112","0.0007","36.0527","0.0009","90","","90","","90","","22928.6","1","270","2","270","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0527","0.0344","","","0.0924","0.1104","","","","","","1.067","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202488","21.4468","0.0005","29.5529","0.0007","36.0359","0.0009","90","","90","","90","","22840.1","0.9","250","2","250","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0492","0.0327","","","0.0878","0.1045","","","","","","1.076","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202489","21.4191","0.0005","29.4937","0.0007","36.0191","0.0009","90","","90","","90","","22754.3","0.9","230","2","230","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0456","0.0318","","","0.0848","0.0996","","","","","","1.075","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202490","21.3887","0.0006","29.4302","0.0008","35.989","0.001","90","","90","","90","","22654.1","1.1","210","2","210","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0418","0.0302","","","0.0809","0.0938","","","","","","1.067","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202491","21.3664","0.0007","29.3735","0.0009","35.975","0.0012","90","","90","","90","","22578.1","1.3","190","2","190","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0396","0.0296","","","0.0787","0.0902","","","","","","1.077","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202492","21.3434","0.0006","29.3178","0.0009","35.9441","0.0011","90","","90","","90","","22491.7","1.2","170","2","170","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C640 H960 Cr64 F192 P160 Sb32 -","32","1","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0379","0.0292","","","0.073","0.0786","","","","","","1.074","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202493","23.1539","0.0007","21.3296","0.0007","23.1371","0.0008","90","","101.546","0.001","90","","11195.3","0.6","150","2","150","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0369","0.0309","","","0.0791","0.0879","","","","","","1.063","","","","has coordinates,has disorder","180355","2020-10-21","18:00:00",""
"7202494","23.0935","0.0008","21.3176","0.0007","23.0731","0.0008","90","","101.442","0.001","90","","11133.1","0.7","130","2","130","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0382","0.0335","","","0.0863","0.0925","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202495","23.0402","0.0008","21.3055","0.0007","23.011","0.0008","90","","101.31","0.001","90","","11076.4","0.7","110","2","110","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0324","0.029","","","0.0751","0.081","","","","","","1.044","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202496","22.9943","0.001","21.2963","0.0009","22.9549","0.0011","90","","101.218","0.002","90","","11026.1","0.9","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0298","0.027","","","0.071","0.0772","","","","","","1.043","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202497","22.9383","0.0011","21.2836","0.001","22.9242","0.0012","90","","101.227","0.002","90","","10977.6","0.9","70","2","70","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0448","0.0406","","","0.1082","0.1132","","","","","","1.042","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202498","22.9096","0.0011","21.2711","0.001","22.8969","0.0012","90","","101.206","0.002","90","","10945.2","0.9","50","2","50","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0439","0.0403","","","0.1077","0.1122","","","","","","1.053","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202499","22.8945","0.0011","21.2571","0.001","22.8707","0.0012","90","","101.148","0.002","90","","10920.5","0.9","30","2","30","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0437","0.0408","","","0.1096","0.1122","","","","","","1.041","","","","has coordinates","180355","2020-10-21","18:00:00",""
"7202500","22.845","0.008","21.263","0.007","22.907","0.008","90","","101.04","0.02","90","","10921","7","25","1","25","1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0431","0.0424","","","0.1124","0.1135","","","","","","1.035","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202501","22.797","0.014","21.216","0.012","22.754","0.013","90","","100.51","0.03","90","","10821","11","12","1","12","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","μ~2~-η^5^,η^5^-cyclopentaphosphole)-bis ((η^5^-pentamethyl-cyclopentadienyl)-chromium) hexafluoroantimonate","","- C20 H30 Cr2 F6 P5 Sb -","- C20 H30 Cr2 F6 P5 Sb -","- C320 H480 Cr32 F96 P80 Sb16 -","16","2","","Andrés E. Goeta; Judith A. K. Howard; Andrew K. Hughes; Dermot O'Hare; Royston C. B. Copley","Structural?magnetic correlations on the first dinuclear spin crossover d4 system","Journal of Materials Chemistry","2007","17","5","485","","10.1039/b612121g","","","0.71073","MoKα","","0.0384","0.0381","","","0.0988","0.0992","","","","","","1.131","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202502","11.91","0.02","13.05","0.02","18.42","0.04","94.85","0.06","97.12","0.06","94.57","0.06","2819","9","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Ir N2 O2 -","- C35 H31 Ir N2 O2 -","- C140 H124 Ir4 N8 O8 -","4","2","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0273","","","","0.0899","","","","","","0.893","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202503","13.73","0.02","14","0.02","16.84","0.03","101.66","0.06","101.76","0.06","103.76","0.06","2969","8","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C37 H35 Ir N2 O2 -","- C37 H35 Ir N2 O2 -","- C148 H140 Ir4 N8 O8 -","4","2","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0324","","","","0.1167","","","","","","1.107","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202504","14.04","0.02","14.11","0.02","17.34","0.02","101.53","0.06","103.15","0.06","102.54","0.05","3151","7","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 Ir N2 O2 -","- C39 H39 Ir N2 O2 -","- C156 H156 Ir4 N8 O8 -","4","2","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0227","","","","0.0761","","","","","","0.914","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202505","9.89","0.01","11.24","0.01","11.79","0.01","68.15","0.03","87.5","0.04","70.81","0.03","1144.2","1.9","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Ir N2 O2 -","- C27 H31 Ir N2 O2 -","- C54 H62 Ir2 N4 O4 -","2","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0205","","","","0.0513","","","","","","0.804","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202506","15.87","0.02","20.7","0.02","24.37","0.03","90","","90","","90","","8006","16","93.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C49 H43 Cl3 Ir N3 -","- C49 H43 Cl3 Ir N3 -","- C392 H344 Cl24 Ir8 N24 -","8","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0218","","","","0.0479","","","","","","0.8","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202507","11.09","0.01","12.19","0.02","13.86","0.02","82.93","0.05","78.73","0.04","88.53","0.05","1824","4","93.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 Ir N3 -","- C48 H36 Ir N3 -","- C96 H72 Ir2 N6 -","2","1","","Takizawa, Shin-ya; Sasaki, Yuka; Akhtaruzzaman, Md.; Echizen, Hidenori; Nishida, Jun-ichi; Iwata, Takeshi; Tokito, Shizuo; Yamashita, Yoshiro","Synthesis, characterization and electroluminescence properties of new iridium complexes based on cyclic phenylvinylpyridine derivatives: tuning of emission colour and efficiency by structural control","Journal of Materials Chemistry","2007","17","9","841","","10.1039/b612633b","","","0.7107","MoKα","","","0.0255","","","","0.0747","","","","","","0.918","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202508","9.541","0.001","9.541","0.001","5.266","0.001","90","","90","","120","","415.14","0.1","293","2","293","2","","","","","","","synthesis as described","3","P 63","P 6c","173","alpha indium iodate","","","- I3 In O9 -","- I3 In O9 -","- I6 In2 O18 -","2","0.333333","","Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle","New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates","Journal of Materials Chemistry","2007","17","11","1123","","10.1039/b612677d","","x-ray","0.56085","AgKa","","0.0275","0.0226","","","0.038","0.0391","","","","","","1.129","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202509","9.753","0.001","9.753","0.001","14.174","0.001","90","","90","","120","","1167.61","0.19","293","2","293","2","","","","","","","synthesis as described","3","R -3 :H","-R 3","148","beta indium iodate","","","- I3 In O9 -","- I3 In O9 -","- I18 In6 O54 -","6","0.333333","","Phanon, Delphine; Mosset, Alain; Gautier-Luneau, Isabelle","New materials for infrared non-linear optics. Syntheses, structural characterisations, second harmonic generation and optical transparency of M(IO3)3 metallic iodates","Journal of Materials Chemistry","2007","17","11","1123","","10.1039/b612677d","","x-ray","0.56085","AgKa","","0.0271","0.0229","","","0.0455","0.0468","","","","","","1.216","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202514","10.10786","0.00005","10.10786","","10.10786","","90","","90","","90","","1032.71","0.005","2","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","from C:/Gsas/Bob/pyro/Osmates/D2B/2K/2K.EXP","","","- O6 Os2 Rb -","- O6 Os2 Rb -","- O48 Os16 Rb8 -","8","0.0416667","","Galati, Rosa; Hughes, Robert W.; Knee, Christopher S.; Henry, Paul F.; Weller, Mark T.","The structure of superconducting RbOs2O6 between 2 K and 300 K","Journal of Materials Chemistry","2007","17","2","160","","10.1039/b613083f","powder diffraction","","","","","","","","","","","","","1","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202515","10.11393","0.00005","10.11393","","10.11393","","90","","90","","90","","1034.57","0.005","300","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","300K Fd3M","","","- O6 Os2 Rb -","- O6 Os2 Rb -","- O48 Os16 Rb8 -","8","0.0416667","","Galati, Rosa; Hughes, Robert W.; Knee, Christopher S.; Henry, Paul F.; Weller, Mark T.","The structure of superconducting RbOs2O6 between 2 K and 300 K","Journal of Materials Chemistry","2007","17","2","160","","10.1039/b613083f","powder diffraction","","","","","","","","","","","","","1.09","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202524","3.8496","0.0011","41.04","0.011","11.262","0.003","90","","95.59","0.004","90","","1770.8","0.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 N2 S5 -","- C20 H10 N2 S5 -","- C80 H40 N8 S20 -","4","1","","Berridge, Rory; Wright, Shaun P.; Skabara, Peter J.; Dyer, Aubrey; Steckler, Tim; Argun, Avni A.; Reynolds, John R.; Harrington, Ross W.; Clegg, William","Electrochromic properties of a fast switching, dual colour polythiophene bearing non-planar dithiinoquinoxaline units","Journal of Materials Chemistry","2007","17","3","225","","10.1039/b613879a","","","0.6896","synchrotron","","0.1155","0.09","","","0.1606","0.1683","","","","","","1.261","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202527","5.428","0.0019","5.4261","0.0018","16.6564","0.0017","90","","90","","90","","490.6","0.2","295","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Bi2NbO5F","","- Bi2 Nb O6 -","- Bi2 Nb O6 -","- Bi8 Nb4 O24 -","4","0.5","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202528","5.6059","0.0022","5.6059","","5.6059","","90","","90","","90","","176.17","0.07","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Bi2O3","","- Bi O1.5 -","- Bi O1.5 -","- Bi4 O6 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202529","5.7853","0.0023","5.7853","","5.7853","","90","","90","","90","","193.63","0.08","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","BiF3","","- Bi F3 -","- Bi F3 -","- Bi4 F12 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202530","5.427","0.0018","16.6584","0.0017","5.4282","0.0017","90","","90","","90","","490.7","0.2","295","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","Bi2NbO5F","","- Bi2 Nb O6 -","- Bi2 Nb O6 -","- Bi8 Nb4 O24 -","4","1","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202531","5.604","0.0021","5.604","","5.604","","90","","90","","90","","175.99","0.07","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Bi2O3","","- Bi O1.5 -","- Bi O1.5 -","- Bi4 O6 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202532","5.7832","0.0023","5.7832","","5.7832","","90","","90","","90","","193.42","0.08","295","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","BiF3","","- Bi F3 -","- Bi F3 -","- Bi4 F12 -","4","0.0208333","","McCabe, E. E.; Jones, I. P.; Zhang, D.; Hyatt, N. C.; Greaves, C.","Crystal structure and electrical characterisation of Bi2NbO5F: an Aurivillius oxide fluoride","Journal of Materials Chemistry","2007","17","12","1193","","10.1039/b613970a","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202533","5.4358","0.0001","15.623","0.0004","5.6075","0.0001","90","","90","","90","","476.209","0.017","","","293","","","","","","","","","4","I m m a","-I 2b 2","74","","","","- Al1.07 Mn0.93 O5 Sr2 -","- Al1.07 Mn0.93 O5 Sr2 -","- Al4.28 Mn3.72 O20 Sr8 -","4","0.25","","Joke Hadermann; Artem M. Abakumov; Hans D'Hondt; Anna S. Kalyuzhnaya; Marina G. Rozova; Maria M. Markina; Mikhail G. Mikheev; Natalia Tristan; Rüdiger Klingeler; Bernd Büchner; Evgeny V. Antipov","Synthesis and crystal structure of the Sr2Al1.07Mn0.93O5 brownmillerite","Journal of Materials Chemistry","2007","17","7","692","","10.1039/b614168d","powder diffraction","","1.5406","X-ray","","0.037","0.0356","","","0.0213","0.0213","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202534","6.0627","0.0008","10.7122","0.0015","10.3872","0.0014","90","","97.956","0.002","90","","668.1","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Manganese oxalate-phosphite","","","- C3 H7 Mn N O5 P -","- C3 H7 Mn N O5 P -","- C12 H28 Mn4 N4 O20 P4 -","4","1","","Mandal, Sukhendu; Green, Mark A.; Pati, Swapan K.; Natarajan, Srinivasan","Synthesis, structure and magnetic properties of an inorganic?organic hybrid compound","Journal of Materials Chemistry","2007","17","10","980","","10.1039/b614186b","","","0.71073","MoKα","","0.0259","0.0247","","","0.0693","0.0699","","","","","","1.073","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202535","8.09","0.02","18.71","0.02","10.16","0.08","90","","90.091","0.019","90","","1538","13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N -","- C20 H17 N -","- C80 H68 N4 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0717","0.0469","","","0.1133","0.1256","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202536","14.178","0.006","14.05","0.03","15.909","0.005","90","","93.62","0.03","90","","3163","7","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H15 N S -","- C20 H15 N S -","- C160 H120 N8 S8 -","8","2","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0687","0.0568","","","0.1631","0.1734","","","","","","1.061","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202537","16.19","0.04","7.739","0.01","23.46","0.03","90","","90","","90","","2939","9","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N -","- C20 H15 N -","- C160 H120 N8 -","8","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.0562","0.0372","","","0.0919","0.1001","","","","","","1.082","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202538","8.616","0.01","9.832","0.01","38.95","0.07","90","","90","","90","","3300","8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H31 N3 -","- C44 H31 N3 -","- C176 H124 N12 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71069","MoKα","","0.046","0.0378","","","0.0928","0.0989","","","","","","1.047","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202539","10.985","0.004","24.813","0.008","13.194","0.004","90","","110.149","0.007","90","","3376.2","1.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 N3 S2 -","- C44 H31 N3 S2 -","- C176 H124 N12 S8 -","4","1","","McKeown, Neil B.; Badriya, Samer; Helliwell, Madeleine; Shkunov, Maxim","The synthesis of robust, polymeric hole-transport materials from oligoarylamine substituted styrenes","Journal of Materials Chemistry","2007","17","20","2088","","10.1039/b614235d","","","0.71073","MoKα","","0.3273","0.0609","","","0.111","0.1842","","","","","","0.611","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202540","3.89827","0.00002","3.89827","0.00002","7.8002","0.0001","90","","90","","90","","118.536","0.0017","973","","973","","","","","","","","","4","P 4/m m m","-P 4 2","123","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.5665 O3 Ti -","- La1.133 O6 Ti2 -","2","0.125","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flightneutronbeam","","","","","","","","","8.8179","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202541","5.48162","0.00001","5.48162","0.00001","7.74646","0.00001","90","","90","","90","","232.767","0.0007","295","","295","","","","","","","","","4","P 4/n b m","-P 4a 2b","125","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.5675 Li0.3 O3 Ti -","- La2.27 Li1.2 O12 Ti4 -","4","","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flight","","","","","","","","","2.6501","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202542","5.49921","0.00001","5.49921","0.00001","7.77237","0.00001","90","","90","","90","","235.047","0.0007","673","","673","","","","","","","","","4","P 4/n b m","-P 4a 2b","125","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La2.268 Li1.2 O12 Ti4 -","4","","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flightneutronbeam","","","","","","","","","8.0825","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202543","5.50511","0.00001","5.50511","0.00001","7.78545","0.00001","90","","90","","90","","235.948","0.0007","823","","823","","","","","","","","","4","P 4/n b m","-P 4a 2b","125","LLTO","lithium lanthanum titanate","","- La0.567 Li0.3 O3 Ti -","- La0.567 Li0.3 O3 Ti -","- La2.268 Li1.2 O12 Ti4 -","4","","","Catti, Michele; Sommariva, Marco; Ibberson, Richard M.","Tetragonal superstructure and thermal history of Li0.3La0.567TiO3 (LLTO) solid electrolyte by neutron diffraction","Journal of Materials Chemistry","2007","17","13","1300","","10.1039/b614345h","powder diffraction","neutron","","Time-of-flightneutronbeam","","","","","","","","","3.8606","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202572","9.725","","9.725","","7.189","","90","","90","","120","","588.814","","","","300","","","","","","","","","3","P 63","P 6c","173","apatite","","","- La8.898 O25.96 Si6 -","- La8.898 O25.9602 Si6 -","- La8.898 O25.9602 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0179","0.0281","","","0.0283","0.0228","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202573","9.74","","9.74","","7.267","","90","","90","","120","","597.04","","","","","","","","","","","","","4","P 63","P 6c","173","Ba doped apatite","","","- Ba1.076 La8.924 O25.869 Si6 -","- La10 O25.87 Si6 -","- La10 O25.87 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0173","0.0161","","","0.0138","0.0225","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202574","9.705","","9.705","","7.215","","90","","90","","120","","588.516","","","","","","","","","","","","","4","P 63","P 6c","173","Sr doped apatite","","","- La8.898 O25.886 Si6 Sr -","- La9.9 O25.886 Si6 -","- La9.9 O25.886 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0173","0.0182","","","0.017","0.0218","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202575","9.68","","9.68","","7.161","","90","","90","","120","","581.106","","","","","","","","","","","","","4","P 63","P 6c","173","Ca doped apatite","","","- Ca1.258 La8.742 O25.879 Si6 -","- La10 O25.878 Si6 -","- La10 O25.878 Si6 -","1","0.166667","","Beaudet-Savignat, S.; Vincent, A.; Lambert, S.; Gervais, F.","Oxide ion conduction in Ba, Ca and Sr doped apatite-type lanthanum silicates","Journal of Materials Chemistry","2007","17","20","2078","","10.1039/b615104c","powder diffraction","neutron","1.2244","neutron","","0.0175","0.0133","","","0.0141","0.0226","","","","","","","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202576","17.039","0.005","18.642","0.008","13.69","0.004","90","","90","","90","","4349","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","5","P b c n","-P 2n 2ab","60","","","","- C20 H18 N2 O4 S3 -","- C20 H18 N2 O4 S3 -","- C160 H144 N16 O32 S24 -","8","1","","Marie Bourgeaux; Sergio Andrés Pérez Guarìn; W. G. Skene","Photophysical, crystallographic, and electrochemical characterization of novel conjugated thiopheno azomethines","Journal of Materials Chemistry","2007","17","10","972","","10.1039/b615325a","","","1.54178","CuKα","","0.1033","0.0397","","","0.0866","0.1019","","","","","","0.705","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202577","15.888","0.005","16.518","0.005","33.306","0.005","90","","90","","90","","8741","4","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C43 H49 O16 P2 -","- C43 H46 O16 P2 -","- C344 H368 O128 P16 -","8","1","","Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico","Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection","Journal of Materials Chemistry","2007","17","18","1809","","10.1039/b615516b","","","0.71069","MoKα","","0.1029","0.0971","","","0.3308","0.3328","","","","","","1.525","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7202578","16.509","0.003","24.993","0.005","15.729","0.004","95.057","0.003","90.314","0.004","81.317","0.004","6390","2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C126 H182 O33 P4 -","- C126 H159 O33 P4 -","- C252 H318 O66 P8 -","2","1","","Daly, Susan M.; Grassi, Michele; Shenoy, Devanand K.; Ugozzoli, Franco; Dalcanale, Enrico","Supramolecular surface plasmon resonance (SPR) sensors for organophosphorus vapor detection","Journal of Materials Chemistry","2007","17","18","1809","","10.1039/b615516b","","","1.54184","CuKα","","0.1332","0.1066","","","0.3195","0.3598","","","","","","1.072","","","","has coordinates,has disorder","180356","2020-10-21","18:00:00",""
"7202579","10.20109","0.00009","10.20109","0.00009","10.20109","0.00009","90","","90","","90","","1061.55","0.016","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Dimercury(ii) Heptaoxodiruthenate(V)","Dimercury(II) Heptaoxodiruthenate(V)","","- Hg2 O7 Ru2 -","- Hg2 O7 Ru2 -","- Hg16 O56 Ru16 -","8","0.0416667","","Klein, Wilhelm; Kremer, Reinhard K.; Jansen, Martin","Hg2Ru2O7, a new pyrochlore showing a metal?insulator transition","Journal of Materials Chemistry","2007","17","14","1356","","10.1039/b615653c","","","0.71073","MoKα","","0.0283","0.0213","","","0.0483","0.0506","","","","","","1.429","","","","has coordinates","180356","2020-10-21","18:00:00",""
"7202587","10.0361","0.0001","11.1106","0.0001","14.0054","0.0001","96.0383","0.0007","90.759","0.0006","107.019","0.0005","1483.43","0.02","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H18 Cl F10 Ir N4 -","- C33.5 H18 Cl F10 Ir N4 -","- C67 H36 Cl2 F20 Ir2 N8 -","2","1","","Shih, Ping-I; Chien, Chen-Han; Chuang, Chu-Ying; Shu, Ching-Fong; Yang, Cheng-Han; Chen, Jian-Hong; Chi, Yun","Novel host material for highly efficient blue phosphorescent OLEDs","Journal of Materials Chemistry","2007","17","17","1692","","10.1039/b616043c","","","0.71073","MoKα","","0.0314","0.0275","","","0.0653","0.0696","","","","","","1.063","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202608","10.5863","0.0004","10.9741","0.0004","14.5969","0.0005","96.217","0.002","97.195","0.002","111.441","0.002","1544.06","0.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C28 H36 N4 O4 S3 -","- C28 H36 N4 O4 S3 -","- C56 H72 N8 O8 S6 -","2","1","","Stéphane Dufresne; Marie Bourgeaux; W. G. Skene","Tunable spectroscopic and electrochemical properties of conjugated push?push, push?pull and pull?pull thiopheno azomethines","Journal of Materials Chemistry","2007","17","12","1166","","10.1039/b616379c","","","1.54178","CuKα","","0.1354","0.1054","","","0.2912","0.3097","","","","","","1.192","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202610","12.6899","0.0013","18.2468","0.0018","18.7138","0.0018","68.885","0.001","88.916","0.002","71.552","0.001","3812.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(MeB(3-(Mes)Pz)3)CuCl.CH2Cl2","","","- C38 H44 B Cl3 Cu N6 -","- C38 H44 B Cl3 Cu N6 -","- C152 H176 B4 Cl12 Cu4 N24 -","4","2","","Rasika Dias, H. V.; Gamini Rajapakse, R. M.; Milan Krishantha, D. M.; Fianchini, Mauro; Wang, Xiaoyu; Elsenbaumer, Ronald L.","Eco-friendly synthesis of high-quality polyaniline using a copper(ii) scorpionate catalyst","Journal of Materials Chemistry","2007","17","18","1762","","10.1039/b616816g","","","0.71073","MoKα","","0.1098","0.061","","","0.1289","0.1529","","","","","","0.993","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202611","31.232","0.002","35.725","0.002","20.2073","0.001","90","","121.196","0.002","90","","19286.3","1.9","93.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C192 H288 Ce N16 S16 -","- C192 H288 Ce N16 S16 -","- C768 H1152 Ce4 N64 S64 -","4","1","","Nekelson, Fabien; Monobe, Hirosato; Shiro, Motoo; Shimizu, Yo","Liquid crystalline and charge transport properties of double-decker cerium phthalocyanine complexes","Journal of Materials Chemistry","2007","17","25","2607","","10.1039/b616848p","","","0.71075","MoKα","","","0.0731","","","","0.2033","","","","","","1.057","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202627","18.337","0.008","37.6","0.02","14.259","0.008","90","","91.11","0.02","90","","9829","9","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C103.75 H105.25 N3 O14 -","- C94.704 H80.408 N3 O12.852 -","- C378.816 H321.632 N12 O51.408 -","4","0.5","","Lim, Young-Kwan; Jiang, Xuan; Bollinger, John C.; Lee, Dongwhan","Molecular engineering of two-dimensional ?-conjugation: expected and unexpected photophysical consequences of a simple particle-in-a-box approach","Journal of Materials Chemistry","2007","17","19","1969","","10.1039/b617353e","","","0.71073","MoKα","","0.1678","0.0968","","","0.2174","0.2539","","","","","","0.971","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202628","10.785","0.004","18.741","0.007","19.655","0.007","79.619","0.008","89.361","0.008","76.27","0.008","3794","2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","","","","- C88.5 H80.25 Cl2.25 N3 O9 -","- C88.458 H80.215 Cl2.243 N3 O9 -","- C176.916 H160.43 Cl4.486 N6 O18 -","2","1","","Lim, Young-Kwan; Jiang, Xuan; Bollinger, John C.; Lee, Dongwhan","Molecular engineering of two-dimensional ?-conjugation: expected and unexpected photophysical consequences of a simple particle-in-a-box approach","Journal of Materials Chemistry","2007","17","19","1969","","10.1039/b617353e","","","0.71073","MoKα","","0.1586","0.0776","","","0.1701","0.2099","","","","","","1.081","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202631","21.761","0.01","15.819","0.007","17.876","0.008","90","","97.911","0.005","90","","6095","5","93.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 Cl2 Mn2 N12 Ni O14 -","- C60 H66 Cl2 Mn2 N12 Ni O14 -","- C240 H264 Cl8 Mn8 N48 Ni4 O56 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0709","","","","0.1725","","","","","","1.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202632","21.848","0.006","16.041","0.004","18.444","0.005","90","","98.856","0.005","90","","6387","3","93.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C60 H66 F12 Mn2 N12 Ni O6 P2 -","- C60 H66 F12 Mn2 N12 Ni O6 P2 -","- C240 H264 F48 Mn8 N48 Ni4 O24 P8 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0507","","","","0.1066","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202633","21.992","0.01","16.141","0.007","17.831","0.008","90","","98.103","0.005","90","","6266","5","93.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 Cl2 Mn2 N12 Ni O14 -","- C62 H70 Cl2 Mn2 N12 Ni O14 -","- C248 H280 Cl8 Mn8 N48 Ni4 O56 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0601","","","","0.1296","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202634","16.96","0.017","10.715","0.011","16.298","0.017","90","","107.737","0.013","90","","2821","5","93.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24.64 H28.64 Cl1.92 N8 Ni O4 -","- C25.22 H22 Cl1.94 N8 Ni O4 -","- C100.88 H88 Cl7.76 N32 Ni4 O16 -","4","0.5","","Ayumi Saitoh; Hitoshi Miyasaka; Masahiro Yamashita; Rodolphe Clérac","Direct evidence of exchange interaction dependence of magnetization relaxation in a family of ferromagnetic-type single-chain magnets","Journal of Materials Chemistry","2007","17","19","2002","","10.1039/b617493k","","","0.7107","MoKα","","","0.0625","","","","0.121","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202635","14.0604","0.0005","10.7206","0.0019","27.612","0.003","90","","90","","90","","4162.1","0.9","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H42 N4 O12 -","- C46 H42 N4 O12 -","- C184 H168 N16 O48 -","4","1","","Seyler, Helga; Berger-Nicoletti, Elena; Kilbinger, Andreas F. M.","Rod?coil copolymers from oligo(p-benzamide) foldamers","Journal of Materials Chemistry","2007","17","19","1954","","10.1039/b617598h","","","1.54178","CuKα","","0.2332","0.0878","","","0.193","0.2513","","","","","","0.983","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202638","16.31134","0.00085","16.31134","0.00085","16.31134","0.00085","90","","90","","90","","4339.8","0.4","298","","298","","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) bisaquo","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii) bisaquo","","- C8 H8 F2 N4 O4 Pd -","- C12 H8 F2 N8 O6 Pd -","- C144 H96 F24 N96 O72 Pd12 -","12","0.25","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra","Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties","Journal of Materials Chemistry","2007","17","19","1939","","10.1039/b617698d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","1.712","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202639","16.29569","0.00084","16.29569","0.00084","16.29569","0.00084","90","","90","","90","","4327.3","0.4","400","","400","","","","","","","","","6","P n -3 m :2","-P 4bc 2bc 3","224","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii)","catena-bis(5-fluoro-pyrimidin-2-olate)-pd(ii)","","- C8 H4 F2 N4 O2 Pd -","- C12 H8 F2 N8 O2 Pd -","- C144 H96 F24 N96 O24 Pd12 -","12","0.25","","Jorge A. R. Navarro; Elisa Barea; Juan M. Salas; Norberto Masciocchi; Simona Galli; Angelo Sironi; Conchi O. Ania; José B. Parra","Borderline microporous?ultramicroporous palladium(ii) coordination polymer networks. Effect of pore functionalisation on gas adsorption properties","Journal of Materials Chemistry","2007","17","19","1939","","10.1039/b617698d","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","5.025","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202641","32.777","0.002","24.737","0.002","23.235","0.002","90","","111.181","0.003","90","","17566","2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C48 H147 Ag3 N12 O110 P2 W24 -","- C48 H101.4 Ag3 N12 O108.2 P2 W23.4 -","- C192 H405.6 Ag12 N48 O432.8 P8 W93.6 -","4","0.5","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.1121","0.058","","","0.1402","0.1787","","","","","","1.014","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202642","10.8053","0.0003","11.1381","0.0003","13.3396","0.0003","97.2","0.002","113.487","0.001","108.774","0.001","1333.3","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","Compound ha003","","","- C16 H48 Ag4 Mo8 O34 S8 -","- C16 H48 Ag4 Mo8 O34 S8 -","- C16 H48 Ag4 Mo8 O34 S8 -","1","0.5","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.0307","0.0249","","","0.0575","0.06","","","","","","1.068","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202643","11.9401","0.0003","38.3746","0.001","12.8124","0.0003","90","","94.095","0.002","90","","5855.6","0.3","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","Compound ys16401d","","","- C24 H64 Ag3 Mn Mo6 N2 O32 S8 -","- C24 H64 Ag3 Mn Mo6 N2 O32 S8 -","- C96 H256 Ag12 Mn4 Mo24 N8 O128 S32 -","4","1","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.0759","0.0444","","","0.0843","0.0948","","","","","","1.029","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202644","11.984","0.004","37.696","0.01","13.122","0.004","90","","97.158","0.015","90","","5882","3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H64 Ag3 Mn Mo6 N4 O31 S7 -","- C25.5 H46 Ag3 Mn Mo6 N4 O31 S6.65 -","- C102 H184 Ag12 Mn4 Mo24 N16 O124 S26.6 -","4","1","","Song, Yu-Fei; Abbas, Hamera; Ritchie, Chris; McMillian, Nicola; Long, De-Liang; Gadegaard, Nikolaj; Cronin, Leroy","From polyoxometalate building blocks to polymers and materials: the silver connection","Journal of Materials Chemistry","2007","17","19","1903","","10.1039/b617830h","","","0.71073","MoKα","","0.1297","0.0664","","","0.127","0.1531","","","","","","1.042","","","","has coordinates,has disorder","180357","2020-10-21","18:00:00",""
"7202657","13.568","0.0009","14.907","0.001","24.0773","0.0018","76.898","0.003","74.505","0.002","77.736","0.002","4510.4","0.5","","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C114 H156 N4 -","- C114 H156 N4 -","","","","Sergio Andrés Pérez Guarìn; Stéphane Dufresne; Derek Tsang; Assa Sylla; W. G. Skene","Photophysical, electrochemical, and crystallographic investigation of conjugated fluoreno azomethines and their precursors","Journal of Materials Chemistry","2007","17","27","2801","","10.1039/b618098a","","","","","","","","","","","","","","","","","","","","","has coordinates","180357","2020-10-21","18:00:00",""
"7202658","8.5576","0.0006","9.1964","0.0007","10.2811","0.0007","79.739","0.001","74.878","0.001","65.164","0.001","706.68","0.09","293","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H15 N7 -","- C15 H15 N7 -","- C30 H30 N14 -","2","1","","Butler, Roslyn S.; Myers, Andrea K.; Bellarmine, Prabhu; Abboud, Khalil A.; Castellano, Ronald K.","Highly fluorescent donor?acceptor purines","Journal of Materials Chemistry","2007","17","19","1863","","10.1039/b618171f","","","0.71073","MoKα","","0.045","0.0383","","","0.1027","0.1065","","","","","","1.032","","","","has coordinates,has disorder","301863","2025-08-22","13:06:28",""
"7202659","10.0863","0.0008","8.6914","0.0007","16.9812","0.0014","90","","98.137","0.002","90","","1473.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N7 -","- C15 H15 N7 -","- C60 H60 N28 -","4","1","","Butler, Roslyn S.; Myers, Andrea K.; Bellarmine, Prabhu; Abboud, Khalil A.; Castellano, Ronald K.","Highly fluorescent donor?acceptor purines","Journal of Materials Chemistry","2007","17","19","1863","","10.1039/b618171f","","","0.71073","MoKα","","0.0569","0.0475","","","0.12","0.1269","","","","","","1.048","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202660","7.3178","0.0014","10.551","0.002","20.587","0.004","90","","90","","90","","1589.5","0.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 B N2 O2 -","- C15 H21 B N2 O2 -","- C60 H84 B4 N8 O8 -","4","1","","Tan, Wei; Zhang, Deqing; Wang, Zhuo; Liu, Caiming; Zhu, Daoben","4-(N,N-Dimethylamine)benzonitrile (DMABN) derivatives with boronic acid and boronate groups: new fluorescent sensors for saccharides and fluoride ion","Journal of Materials Chemistry","2007","17","19","1964","","10.1039/b618183j","","","0.71073","MoKα","","0.09","0.0701","","","0.157","0.1682","","","","","","1.094","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202675","10.3021","0.0004","20.0384","0.0011","35.1923","0.0009","90","","92.693","0.0007","90","","7257","0.5","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.43 H40 Fe N O13 S32 -","- C51.44 H37 Fe N O13 S32 -","- C205.76 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0851","","","","0.0613","","","","","","1.099","","","","has coordinates","275107","2022-05-06","15:04:04",""
"7202676","10.3031","0.001","20.0498","0.0007","35.1933","0.0007","90","","92.6869","0.0004","90","","7262.1","0.8","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.45 H40 Fe N O13 S32 -","- C51.46 H37 Fe N O13 S32 -","- C205.84 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0698","","","","0.0587","","","","","","1.073","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202677","10.3012","0.0003","20.08","0.0011","35.2191","0.0008","90","","92.6379","0.0004","90","","7277.3","0.5","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.67 H40 Fe N O13 S32 -","- C51.68 H37 Fe N O13 S32 -","- C206.72 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0726","","","","0.0612","","","","","","1.122","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202678","10.296","0.0008","20.064","0.003","35.1951","0.0008","90","","92.696","0.0005","90","","7262.5","1.2","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.76 H40 Fe N O13 S32 -","- C51.76 H37 Fe N O13 S32 -","- C207.04 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0788","","","","0.0731","","","","","","1.113","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202679","10.291","0.003","20.073","0.017","35.242","0.017","90","","92.641","0.016","90","","7272","7","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51.86 H40 Fe N O13 S32 -","- C51.86 H37 Fe N O13 S32 -","- C207.44 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0518","","","","0.0608","","","","","","1.031","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202680","10.2904","0.001","20.09","0.003","35.207","0.003","90","","92.663","0.003","90","","7270.6","1.4","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.08 H40 Fe N O13 S32 -","- C52.08 H37 Fe N O13 S32 -","- C208.32 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0798","","","","0.0606","","","","","","1.134","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202681","10.2911","0.0016","20.1062","0.0016","35.2174","0.0009","90","","92.6683","0.0006","90","","7279.1","1.3","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.21 H40 Fe N O13 S32 -","- C52.22 H37 Fe N O13 S32 -","- C208.88 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0659","","","","0.0629","","","","","","1.056","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202682","10.2747","0.0009","20.1509","0.0013","35.2218","0.0008","90","","92.6684","0.0005","90","","7284.6","0.8","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52.81 H45 Fe N O12 S32 -","- C52.808 H37 Fe N O13 S32 -","- C211.232 H148 Fe4 N4 O52 S128 -","4","0.5","","Akutsu-Sato, Akane; Akutsu, Hiroki; Yamada, J.; Nakatsuji, S.; Turner, Scott S.; Day, Peter","Suppression of superconductivity in a molecular charge transfer salt by changing guest molecule: β''-(BEDT-TTF)~4~[(H~3~O)Fe(C~2~O~4~)~3~](C~6~H~5~CN)x(C~5~H~5~N)~1-x~","Journal of Materials Chemistry","2007","17","24","2497","2499","10.1039/b618832j","","","0.71069","MoKα","","","0.0467","","","","0.0552","","","","","","1.059","","","","has coordinates","275107","2022-05-06","15:04:05",""
"7202726","9.242","0.004","5.718","0.0011","18.205","0.006","90","","100.06","0.03","90","","947.3","0.6","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","","- C24 H22 S2 -","- C24 H22 S2 -","- C48 H44 S4 -","2","0.5","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","0.71073","MoKα","","0.1888","0.0418","","0.1943","0.0826","0.1943","","","","","","0.9467","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202727","5.558","0.003","7.665","0.004","37.188","0.025","90","","90","","90","","1584.3","1.6","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","5,5'-bis(4-hydroxyphenyl)-2,2'-bithiophene","5,5'-bis(4-hydroxyphenyl)-2,2'-bithiophene","","- C20 H14 O2 S2 -","- C80 H56 O8 S8 -","- C80 H56 O8 S8 -","","","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","1.2084","synchrotron","","","","","","","","","","","","","","","","","has coordinates","277887","2022-09-15","15:15:13",""
"7202728","33.056","0.022","7.485","0.004","5.876","0.003","90","","96.16","0.03","90","","1445.5","1.4","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","5,5'-bis-4-(6-hydroxyhexyloxy)-phenyl-2,2'-bithiophene","5,5'-bis-4-(6-hydroxyhexyloxy)-phenyl-2,2'-bithiophene","","- C32 H38 O4 S2 -","- C64 H76 O8 S4 -","- C64 H76 O8 S4 -","","","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","1.2084","synchrotron","","","","","","","","","","","","","","","","","has coordinates","277887","2022-09-15","15:15:13",""
"7202729","9.109","0.002","5.7272","0.0007","18.159","0.004","90","","101.54","0.02","90","","928.2","0.3","120","","120","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","5,5'-bis(4-ethylphenyl)-2,2'-bithiophene","","- C24 H22 S2 -","- C24 H22 S2 -","- C48 H44 S4 -","2","0.5","","Stokes, Melissa A.; Kortan, Refik; Amy, Sandrine Rivillon; Katz, Howard E.; Chabal, Yves J.; Kloc, Christian; Siegrist, Theo","Molecular ordering in bis(phenylenyl)bithiophenes","Journal of Materials Chemistry","2007","17","32","3427","","10.1039/b701035d","","","0.71073","MoKα","","0.171","0.0824","","0.342","0.0505","0.0505","","","","","","1.0829","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202742","3.7587","0.0014","3.759","0.002","13.007","0.004","90","","90","0.05","90","","183.78","0.13","","","293","","","","","","","","","4","I 4/m m m","","","","","","- Cu La1.111 O3.506 Sr0.889 -","- Cu La1.1576 O3.4776 Sr0.8422 -","- Cu2 La2.3152 O6.9552 Sr1.6844 -","2","0.0625","","Joke Hadermann; Olivier Pérez; Nicolas Créon; Claude Michel; Maryvonne Hervieu","The (3 + 2)D structure of oxygen deficient LaSrCuO3.52","Journal of Materials Chemistry","2007","17","22","2344","","10.1039/b701449j","powder diffraction","neutron","1.225","neutron","","0.0368","0.0329","","","0.0355","0.0362","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202788","4.7566","0.0012","6.225","0.002","10.116","0.017","72.97","0.06","85.49","0.08","80.83","0.03","282.6","0.5","298","2","298","2","","","","","","","","4","P 1","P 1","1","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","1","1","","Erik Schwartz; Heather J. Kitto; René de Gelder; Roeland J. M. Nolte; Alan E. Rowan; Jeroen J. L. M. Cornelissen","Synthesis, characterisation and chiroptical properties of ?click?able polyisocyanopeptides","Journal of Materials Chemistry","2007","17","19","1876","","10.1039/b701922j","","","0.71073","MoKα","","0.1154","0.0698","","0.1591","0.1399","0.1591","","","1.026","","","1.026","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202822","12.6196","0.0018","17.378","0.002","26.551","0.004","90.019","0.01","98.764","0.011","92.938","0.01","5747","1.4","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Dr. S. G. Carling/Dr. L. Martin","","","- C138 H120 Fe8 Na18 O120 S72 -","- C138 H120 Fe8 Na18 O120 S72 -","- C138 H120 Fe8 Na18 O120 S72 -","1","0.5","","Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven","Multi-layered molecular charge-transfer salts containing alkali metal ions","Journal of Materials Chemistry","2007","17","31","3324","","10.1039/b702442h","","","0.71073","MoKα","","0.2117","0.1026","","","0.1685","0.2079","","","","","","1.063","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202823","32.9933","0.0011","11.0441","0.0004","20.7262","0.0007","90","","104.622","0.001","90","","7307.6","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C49 H68 Fe K1.5 O27 S20 -","- C49 H56 Fe K1.5 O27 S20 -","- C196 H224 Fe4 K6 O108 S80 -","4","1","","Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven","Multi-layered molecular charge-transfer salts containing alkali metal ions","Journal of Materials Chemistry","2007","17","31","3324","","10.1039/b702442h","","","0.6712","synchrotron","","0.0596","0.0424","","","0.1037","0.1126","","","","","","1.031","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7202838","15.5151","0.001","26.5664","0.0015","21.5476","0.001","90","","94.433","0.001","90","","8854.9","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H152 O72 S28 Zr12 -","- C84 H112 O72 S28 Zr12 -","- C168 H224 O144 S56 Zr24 -","2","0.5","","Faccini, Francesco; Fric, Helmut; Schubert, Ulrich; Wendel, Eric; Tsetsgee, Otgontuul; Müller, Klaus; Bertagnolli, Helmut; Venzo, Alfonso; Gross, Silvia","ω-Mercapto-functionalized hafnium- and zirconium-oxoclusters as nanosized building blocks for inorganic‒organic hybrid materials: synthesis, characterization and photothiol-ene polymerization","Journal of Materials Chemistry","2007","17","31","3297","","10.1039/b702714a","","","0.71073","MoKα","","0.1759","0.1451","","","0.4083","0.4349","","","","","","1.737","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202839","27.422","0.0012","26.4804","0.0011","25.5136","0.0011","90","","108.486","0.001","90","","17570.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H158 Hf12 O74 S29 -","- C87 H116 Hf12 O74 S29 -","- C348 H464 Hf48 O296 S116 -","4","1","","Faccini, Francesco; Fric, Helmut; Schubert, Ulrich; Wendel, Eric; Tsetsgee, Otgontuul; Müller, Klaus; Bertagnolli, Helmut; Venzo, Alfonso; Gross, Silvia","ω-Mercapto-functionalized hafnium- and zirconium-oxoclusters as nanosized building blocks for inorganic‒organic hybrid materials: synthesis, characterization and photothiol-ene polymerization","Journal of Materials Chemistry","2007","17","31","3297","","10.1039/b702714a","","","0.71073","MoKα","","0.0798","0.0647","","","0.1719","0.1803","","","","","","1.024","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202858","7.53","0.0015","12.173","0.002","40.996","0.008","90","","90","","90","","3757.8","1.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-3, 4-dicyanophenoxy-4'-dimethylaminoazobenzene(CPMAB)","4-3, 4-dicyanophenoxy-4'-dimethylaminoazobenzene(CPMAB)","","- C22 H17 N5 O -","- C22 H17 N5 O -","- C176 H136 N40 O8 -","8","1","","Hu, Junping; Li, Yingfeng; Ji, Zhuoyu; Jiang, Guiyuan; Yang, Lianming; Hu, Wenping; Gao, Hongjun; Jiang, Lei; Wen, Yongqiang; Song, Yanlin; Zhu, Daoben","A non-planar organic molecule with non-volatile electrical bistability for nano-scale data storage","Journal of Materials Chemistry","2007","17","33","3530","","10.1039/b703332j","","","0.71073","MoKα","","0.0939","0.0476","","","0.1148","0.1331","","","","","","0.96","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202871","10.215","0.001","10.697","0.001","10.722","0.001","67.49","0.01","89.98","0.01","68.65","0.01","994.8","0.2","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","(NH3(CH2)4NH3)La(hedpH)(hedpH2)","","","- C8 H25 La N2 O14 P4 -","- C8 H25 La N2 O14 P4 -","- C16 H50 La2 N4 O28 P8 -","2","1","","Liu, Feng-Yi; Roces, Laura; Sa Ferreira, Rute A.; García-Granda, Santiago; García, José R.; Carlos, Luis D.; Rocha, João","Crystal structure and photoluminescence properties of lanthanide diphosphonates","Journal of Materials Chemistry","2007","17","35","3696","","10.1039/b703487c","","x-ray","1.54184","CuKα","","0.0501","0.0498","","","0.1358","0.1363","","","","","","1.068","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202872","28.817","0.005","14.767","0.002","29.597","0.005","90","","103.763","0.004","90","","12233","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H73 Mo3 N8 O0.5 S16 -","- C38 H72 Mo3 N8 O0.5 S16 -","- C304 H576 Mo24 N64 O4 S128 -","8","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1309","0.0573","","","0.1265","0.1599","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202873","14.4374","0.0006","21.6924","0.0009","17.2853","0.0007","90","","103.744","0.001","90","","5258.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Mo3 N6 S32 -","- C26 H16 Mo3 N6 S32 -","- C104 H64 Mo12 N24 S128 -","4","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.0469","0.027","","","0.0748","0.0859","","","","","","0.988","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202874","12.903","0.007","13.733","0.008","17.658","0.011","92.982","0.015","109.882","0.014","117.707","0.013","2521","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H44 Br6 Mo3 N S12 Se3 -","- C26 H8 Br6 Mo3 N S12 Se3 -","- C52 H16 Br12 Mo6 N2 S24 Se6 -","2","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1883","0.0751","","","0.1686","0.236","","","","","","1.005","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202875","10.0467","0.001","11.3217","0.0012","14.8607","0.0015","105.133","0.002","92.035","0.002","99.297","0.003","1604.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H11 Cl6 Mo3 N S15 -","- C12 H8 Cl6 Mo3 N S15 -","- C24 H16 Cl12 Mo6 N2 S30 -","2","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1135","0.0589","","","0.1058","0.1147","","","","","","0.948","","","","has coordinates","180359","2020-10-21","18:00:00",""
"7202876","11.8603","0.0009","17.3577","0.0013","20.8821","0.0015","69.39","0.002","88.139","0.002","73.734","0.002","3852.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H35 Cl6.5 Mo3 N S39 -","- C42 H32 Cl6.5 Mo3 N S39 -","- C84 H64 Cl13 Mo6 N2 S78 -","2","1","","Alberola, Antonio; Llusar, Rosa; Triguero, Sonia; Vicent, Cristian; Sokolov, Maxim N.; Gómez-García, Carlos","Structural diversity in charge transfer salts based on Mo3S7 and Mo3S4Se3 clusters complexes and bis(ethylenedithio)tetrathiafulvalene (ET)","Journal of Materials Chemistry","2007","17","32","3440","","10.1039/b703551a","","","0.71073","MoKα","","0.1759","0.0655","","","0.1124","0.1549","","","","","","0.992","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7202878","7.2695","0.0009","7.2695","0.0009","28.268","0.005","90","","90","","90","","1493.8","0.4","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C32 H10 Cu6.44 N32 O5 W4 -","- C16 Cu3.22 N16 O2.5 W2 -","- C32 Cu6.44 N32 O5 W4 -","2","0.0625","","Podgajny, Robert; Chmel, Nikola Paul; Bałanda, Maria; Tracz, Piotr; Gaweł, Bartłomiej; Zając, Dariusz; Sikora, Marcin; Kapusta, Czesław; Łasocha, Wiesław; Wasiutyński, Tadeusz; Sieklucka, Barbara","Exploring the formation of 3D ferromagnetic cyano-bridged CuII2+x{CuII4[WV(CN)8]4‒2x[WIV(CN)8]2x}·yH2O networks","Journal of Materials Chemistry","2007","17","31","3308","","10.1039/b703640j","powder diffraction","","1.54178","CuKα","","0.0251","0.0251","","","0.0249","0.0249","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202879","7.2858","0.0009","7.2858","0.0009","28.282","0.005","90","","90","","90","","1501.3","0.4","","","273","","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C32 H8 Cu6.94 N32 O4 W4 -","- C16 Cu3.468 N16 O2 W2 -","- C32 Cu6.936 N32 O4 W4 -","2","0.0625","","Podgajny, Robert; Chmel, Nikola Paul; Bałanda, Maria; Tracz, Piotr; Gaweł, Bartłomiej; Zając, Dariusz; Sikora, Marcin; Kapusta, Czesław; Łasocha, Wiesław; Wasiutyński, Tadeusz; Sieklucka, Barbara","Exploring the formation of 3D ferromagnetic cyano-bridged CuII2+x{CuII4[WV(CN)8]4‒2x[WIV(CN)8]2x}·yH2O networks","Journal of Materials Chemistry","2007","17","31","3308","","10.1039/b703640j","powder diffraction","x-ray","1.54178","CuKα","","0.0525","0.0525","","","0.0436","0.0436","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7202880","15.244","0.005","15.244","0.005","16.059","0.005","90","0.005","90","0.005","120","0.005","3231.8","1.8","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C27 H18 N4 -","- C27 H18 N4 -","- C162 H108 N24 -","6","0.333333","","Tian, Yu-Peng; Li, Lin; Zhang, Ju-Zhou; Yang, Jia-Xiang; Zhou, Hong-ping; Wu, Jie-ying; Sun, Ping-ping; Tao, Li-min; Guo, Ya-hui; Wang, Chuan-Kui; Xing, Hui; Huang, Wen-hao; Tao, Xu-Tang; Jiang, Min-Hua","Investigations and facile synthesis of a series of novel multi-functional two-photon absorption materials","Journal of Materials Chemistry","2007","17","34","3646","","10.1039/b703853d","","","0.71069","MoKα","","0.1803","0.0757","","","0.183","0.2335","","","","","","0.939","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202889","17.505","0.0007","19.432","0.0015","24.759","0.0018","90","","90","","90","","8422","1","295","2","295","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C144 H38 N4 S8 -","- C144 H38 N4 S8 -","- C576 H152 N16 S32 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2","Journal of Materials Chemistry","2007","17","39","4171","","10.1039/b704371f","","","0.71073","MoKα","","0.1132","0.0706","","","0.1776","0.205","","","","","","0.972","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202890","17.218","0.0004","19.362","0.0009","24.373","0.0012","90","","90","","90","","8125.3","0.6","100","2","100","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C144 H38 N4 S8 -","- C144 H38 N4 S8 -","- C576 H152 N16 S32 -","4","1","","Konarev, Dmitri V.; Khasanov, Salavat S.; Saito, Gunzi; Otsuka, Akihiro; Lyubovskaya, Rimma N.","Dimerization of C60˙‒ in multi-component ionic complexes with bis(ethylenedithio)tetrathiafulvalene: (cation+)2·ET·(C60˙‒)2","Journal of Materials Chemistry","2007","17","39","4171","","10.1039/b704371f","","","0.71073","MoKα","","0.1417","0.1142","","","0.3194","0.3478","","","","","","1.393","","","","has coordinates,has disorder","180359","2020-10-21","18:00:00",""
"7202901","8.956","0.0006","12.0233","0.0009","19.2448","0.0014","83.695","0.002","87.711","0.002","73.878","0.002","1978.7","0.2","100","1","100","1","","","","","","","","7","P -1","-P 1","2","Mn (1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene) (hfac)2","Mn [1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene] (hfac)2","","- C35 H18 F18 Mn N4 O7 S2 -","- C35 H18 F18 Mn N4 O7 S2 -","- C70 H36 F36 Mn2 N8 O14 S4 -","2","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71073","MoKα","","0.0845","0.0467","","","0.1054","0.118","","","","","","1.045","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202902","7.9782","0.0007","12.8551","0.001","23.714","0.002","90","","92.789","0.004","90","","2429.2","0.4","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene","1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene","","- C25 H16 F6 N4 O3 S2 -","- C25 H16 F6 N4 O3 S2 -","- C100 H64 F24 N16 O12 S8 -","4","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71073","MoKα","","0.0558","0.0431","","","0.1071","0.1144","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202903","8.946","0.005","11.774","0.005","19.493","0.005","92.804","0.005","91.091","0.005","105.202","0.005","1977.9","1.5","100","1","100","1","","","","","","","","7","P -1","-P 1","2","Cu (1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene) (hfac)2","Cu [1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene] (hfac)2","","- C35 H18 Cu F18 N4 O7 S2 -","- C35 H18 Cu F18 N4 O7 S2 -","- C70 H36 Cu2 F36 N8 O14 S4 -","2","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71069","MoKα","","0.0636","0.0387","","","0.0927","0.1033","","","","","","0.995","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202904","25.685","0.005","14.069","0.005","16.562","0.005","90","","114.662","0.005","90","","5439","3","100","1","100","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Ag (1-(5-ethoxy-2-(4-nitrophenyl)thiazoyl)-2-(4-methyl-2-(2- pyridyl)thiazoyl) perfluorocyclopentene)2 (CF3SO3)2","Ag [1-[5-ethoxy-2-(4-nitrophenyl)thiazoyl]-2-[4-methyl-2-(2-pyridyl)thiazoyl] perfluorocyclopentene]2 (CF3SO3)2","","- C51 H32 Ag F15 N8 O9 S5 -","- C51 H32 Ag F15 N8 O9 S5 -","- C204 H128 Ag4 F60 N32 O36 S20 -","4","0.5","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71069","MoKα","","0.0569","0.0363","","","0.0813","0.095","","","","","","1.004","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202905","16.5004","0.0007","11.8425","0.0005","14.132","0.0007","90","","98.387","0.002","90","","2731.9","0.2","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1,2-bis(5-ethoxy-2-(4-nitro- phenyl)thiazoyl)perfluorocyclopentene","1,2-bis[5-ethoxy-2-(4-nitro-phenyl)thiazoyl]perfluorocyclopentene","","- C27 H18 F6 N4 O6 S2 -","- C27 H18 F6 N4 O6 S2 -","- C108 H72 F24 N16 O24 S8 -","4","1","","Giraud, Marion; Léaustic, Anne; Guillot, Régis; Yu, Pei; Lacroix, Pascal G.; Nakatani, Keitaro; Pansu, Robert; Maurel, François","Dithiazolylethene-based molecular switches for nonlinear optical properties and fluorescence: synthesis, crystal structure and ligating properties","Journal of Materials Chemistry","2007","17","41","4414","","10.1039/b704806h","","x-ray","0.71073","MoKα","","0.0925","0.0717","","","0.1873","0.2089","","","","","","1.025","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202907","9.9866","0.0011","9.9866","0.0011","9.9866","0.0011","90","","90","","90","","995.99","0.19","50","2","50","2","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ga Nb4 S8 -","- Ga Nb4 S8 -","- Ga4 Nb16 S32 -","4","0.0416667","","Jakob, Stefanie; Müller, Helen; Johrendt, Dirk; Altmannshofer, Sandra; Scherer, Wolfgang; Rayaprol, Sudhindra; Pöttgen, Rainer","Structural and magnetic transitions in the Mott insulator GaNb4S8","Journal of Materials Chemistry","2007","17","36","3833","","10.1039/b704943a","","","0.71073","MoKα","","0.0358","0.0127","","","0.0478","0.0485","","","","","","1.351","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202908","9.9917","0.0014","9.9917","0.0014","9.978","0.002","90","","90","","90","","996.1","0.3","20","2","20","0.1","","","","","","","","3","P -4 21 m","P -4 2ab","113","","","","- Ga Nb4 S8 -","- Ga Nb4 S8 -","- Ga4 Nb16 S32 -","4","0.5","","Jakob, Stefanie; Müller, Helen; Johrendt, Dirk; Altmannshofer, Sandra; Scherer, Wolfgang; Rayaprol, Sudhindra; Pöttgen, Rainer","Structural and magnetic transitions in the Mott insulator GaNb4S8","Journal of Materials Chemistry","2007","17","36","3833","","10.1039/b704943a","","","0.71073","MoKα","","0.0273","0.0265","","","0.0778","0.079","","","","","","1.145","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202912","9.405","0.003","10.934","0.004","17.343","0.006","84.339","0.005","86.416","0.006","70.879","0.005","1676","1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H30 N2 O -","- C44 H30 N2 O -","- C88 H60 N4 O2 -","2","1","","Chen, Shiyan; Xu, Xinjun; Liu, Yunqi; Qiu, Wenfeng; Yu, Gui; Sun, Xiaobo; Zhang, Hengjun; Qi, Ting; Lu, Kun; Gao, Xike; Liu, Ying; Zhu, Daoben","Highly efficient blue electrophosphorescent devices with a new series of host materials: polyphenylene-dendronized oxadiazole derivatives","Journal of Materials Chemistry","2007","17","36","3788","","10.1039/b705515c","","","0.71073","MoKα","","0.1364","0.0551","","","0.1184","0.1667","","","","","","1.056","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202944","20.268","0.003","10.0519","0.0013","22.389","0.003","90","","90","","90","","4561.4","1.1","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C62 H52 -","- C62 H52 -","- C248 H208 -","4","0.5","","Kim, Soo-Kang; Park, Young-Il; Kang, In-Nam; Park, Jong-Wook","New deep-blue emitting materials based on fully substituted ethylene derivatives","Journal of Materials Chemistry","2007","17","44","4670","","10.1039/b706606f","","","0.71073","MoKα","","0.3411","0.1204","","","0.2709","0.4222","","","","","","0.972","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202995","22.745","0.003","13.9148","0.0018","12.2573","0.0016","90","","119.369","0.002","90","","3380.8","0.8","292","2","292","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H47 N5 -","- C38 H47 N5 -","- C152 H188 N20 -","4","0.5","","Liu, Zijun; Chen, Tao; Liu, Bo; Huang, Zhen-Li; Huang, Ting; Li, Suyue; Xu, Yuxi; Qin, Jingui","Two-photon absorption of a series of V-shape molecules: the influence of acceptor's strength on two-photon absorption in a noncentrosymmetric D–π–A–π–D system","Journal of Materials Chemistry","2007","17","44","4685","","10.1039/b707909e","","","0.71073","MoKα","","0.1235","0.0694","","","0.1725","0.2053","","","","","","0.977","","","","has coordinates","301863","2025-08-22","13:06:28",""
"7202996","7.9565","0.0011","13.906","0.002","22.415","0.004","90","","90","","90","","2480.1","0.7","113","","113","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C H5 F7 N Yb2 -","- C H5 F7 N Yb2 -","- C16 H80 F112 N16 Yb32 -","16","0.5","","Jayasundera, Anil C. A.; Finch, Adrian A.; Townsend, P. D.; Lightfoot, Philip","Hydrothermal synthesis and luminescent properties of a new family of organically templated lanthanide fluorides","Journal of Materials Chemistry","2007","17","39","4178","","10.1039/b707993a","","","0.71073","MoKα","","0.0246","0.0194","","","0.0435","0.0458","","","","","","1.042","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202997","11.9753","0.0008","23.2559","0.0016","6.8413","0.0005","90","","110.384","0.001","90","","1786","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","C2HN6O4, C2H5N4, 2(C2H4N4), H2O","","","- C8 H16 N18 O5 -","- C8 H16 N18 O5 -","- C32 H64 N72 O20 -","4","1","","Zhuo Zeng; Haixiang Gao; Brendan Twamley; Jean'ne M. Shreeve","Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing","Journal of Materials Chemistry","2007","17","36","3819","","10.1039/b708041g","","","0.71073","MoKα","","0.0382","0.0336","","","0.0752","0.0774","","","","","","1.035","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7202998","15.7214","0.001","12.7935","0.0008","8.1458","0.0005","90","","121.096","0.001","90","","1402.95","0.15","90","2","90","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(C4H7N2)2(C2N6O4)","","","- C10 H14 N10 O4 -","- C10 H14 N10 O4 -","- C40 H56 N40 O16 -","4","0.5","","Zhuo Zeng; Haixiang Gao; Brendan Twamley; Jean'ne M. Shreeve","Energetic mono and dibasic 5-dinitromethyltetrazolates: synthesis, properties, and particle processing","Journal of Materials Chemistry","2007","17","36","3819","","10.1039/b708041g","","","0.71073","MoKα","","0.0424","0.0337","","","0.0819","0.0877","","","","","","1.019","","","","has coordinates","180360","2020-10-21","18:00:00",""
"7203045","10.514","0.002","11.309","0.003","16.393","0.005","83.502","0.014","78.733","0.016","69.532","0.013","1788.8","0.8","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H46 N2 -","- C48 H46 N2 -","- C96 H92 N4 -","2","1","","Song, Yabin; Di, Chong-an; Xu, Wei; Liu, Yunqi; Zhang, Deqing; Zhu, Daoben","New semiconductors based on triphenylamine with macrocyclic architecture: synthesis, properties and applications in OFETs","Journal of Materials Chemistry","2007","17","42","4483","","10.1039/b708887f","","","0.7107","MoKα","","0.0963","0.0578","","","0.1248","0.1452","","","","","","1.015","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203055","22.3238","0.0011","10.0035","0.0005","38.1841","0.0018","90","","90","","90","","8527.1","0.7","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H106 Er2 N4 O12 -","- C96 H106 Er2 N4 O12 -","- C384 H424 Er8 N16 O48 -","4","0.5","","Song, Limei; Liu, Xinhou; Zhen, Zhen; Chen, Cong; Zhang, Daming","Solution-processable erbium–ytterbium complex for potential planar optical amplifier application","Journal of Materials Chemistry","2007","17","43","4586","","10.1039/b709237g","","","0.7107","MoKα","","0.0572","0.0509","","","0.0826","0.0845","","","","","","1.282","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203065","10.9387","0.0011","11.4172","0.0013","14.3741","0.0016","90","","99.686","0.007","90","","1769.6","0.3","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 S4 -","- C22 H14 S4 -","- C88 H56 S16 -","4","1","","Zhao, Tianyue; Wei, Zhongming; Song, Yabin; Xu, Wei; Hu, Wenping; Zhu, Daoben","Tetrathia[22]annulene[2,1,2,1]: physical properties, crystal structure and application in organic field-effect transistors","Journal of Materials Chemistry","2007","17","41","4377","","10.1039/b709324a","","","0.7107","MoKα","","0.0533","0.0417","","","0.0894","0.0953","","","","","","1.123","","","","has coordinates,has disorder","180361","2020-10-21","18:00:00",""