# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-07T11:56:04+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Chemistry of Materials') AND volume = 21 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
"4000968","7.8416","0.0004","4.8947","0.0002","29.7907","0.0012","90","","97.227","0.003","90","","1134.35","0.09","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 F2 N2 O4 -","- C30 H20 F2 N2 O4 -","- C60 H40 F4 N4 O8 -","2","0.5","","Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors","Chemistry of Materials","2009","21","1","94","","10.1021/cm802281k","","","0.71073","MoKα","","0.0787","0.0594","","","0.1363","0.1442","","","","","","1.164","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000969","6.622","0.0001","22.2242","0.0004","7.8567","0.0002","90","","92.006","0.002","90","","1155.55","0.04","110","","110","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 F4 N2 O4 -","- C30 H18 F4 N2 O4 -","- C60 H36 F8 N4 O8 -","2","0.5","","Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E.","Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors","Chemistry of Materials","2009","21","1","94","","10.1021/cm802281k","","","0.71073","MoKα","","0.0559","0.0395","","","0.1053","0.1156","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000970","12.1718","0.0004","12.1718","0.0004","28.197","0.002","90","","90","","120","","3617.8","0.3","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu14.35 Se8.55 Te2.45 -","- Ba3 Cu14.354 Se6.93 Te2.38 -","- Ba18 Cu86.124 Se41.58 Te14.28 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0642","0.063","","","0.1254","0.1259","","","","","","1.177","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000971","12.1897","0.0003","12.1897","0.0003","28.2087","0.0017","90","","90","","120","","3629.9","0.3","296","2","296","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu14.38 Se8.3 Te2.7 -","- Ba3 Cu14.37 Se8.299 Te2.701 -","- Ba18 Cu86.22 Se49.794 Te16.206 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0513","0.0457","","","0.0909","0.0939","","","","","","1.299","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000972","12.2339","0.0003","12.2339","0.0003","28.2819","0.0016","90","","90","","120","","3665.8","0.2","298","2","298","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- Ba3 Cu15.05 Se7.73 Te3.27 -","- Ba3 Cu15.025 Se7.749 Te3.251 -","- Ba18 Cu90.15 Se46.494 Te19.506 -","6","0.166667","","Kuropatwa, Bryan; Cui, Yanjie; Assoud, Abdeljalil; Kleinke, Holger","Crystal Structure and Physical Properties of the New Selenide−Tellurides Ba3Cu17−x(Se,Te)11","Chemistry of Materials","2009","21","1","88","","10.1021/cm802304k","","","0.71073","MoKα","","0.0416","0.0383","","","0.087","0.0892","","","","","","0.918","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000973","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 3 1 2","P 3 2","149","","","","- Fe3 N1.08 -","- Fe3 N1.082 -","- Fe6 N2.164 -","2","0.333333","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0339","0.0189","","","0.0453","0.0556","","","","","","1.129","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000974","4.7241","0.0002","4.7241","0.0002","4.3862","0.0002","90","","90","","120","","84.773","0.006","293","2","293","2","","","","","","","","2","P 63 2 2","P 6c 2c","182","","","","- Fe3 N1.2 -","- Fe3 N1.198 -","- Fe6 N2.396 -","2","0.166667","","Niewa, Rainer; Rau, Dieter; Wosylus, Aron; Meier, Katrin; Hanfland, Michael; Wessel, Michael; Dronskowski, Richard; Dzivenko, Dmytro A.; Riedel, Ralf; Schwarz, Ulrich","High-Pressure, High-Temperature Single-Crystal Growth, Ab initio Electronic Structure Calculations, and Equation of State of ε-Fe3N1+x","Chemistry of Materials","2009","21","2","392","","10.1021/cm802721k","","","0.56083","AgKα","","0.0252","0.0157","","","0.0337","0.0377","","","","","","1.188","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000975","11.6147","0.0002","11.6147","0.0002","51.9135","0.0015","90","","90","","120","","6064.9","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C11 H44 In6 N11 Te9 -","- C10 H38 In6 N10 Te9 -","- C60 H228 In36 N60 Te54 -","6","1","","Zhang, Qichun; Chung, In; Jang, Joon I.; Ketterson, John B.; Kanatzidis, Mercouri G.","A Polar and Chiral Indium Telluride Featuring Supertetrahedral T2 Clusters and Nonlinear Optical Second Harmonic Generation","Chemistry of Materials","2009","21","1","12","","10.1021/cm8027516","","","0.71073","MoKα","","0.0864","0.0772","","","0.1645","0.1735","","","","","","1.169","","","","has coordinates","288253","2023-12-12","14:36:06",""
"4000976","17.6591","0.0017","17.6477","0.0017","42.628","0.004","90","","90","","90","","13285","2","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C78 H62 Ag B F4 S4 Si -","- C78 H62 Ag B F4 S4 Si -","- C624 H496 Ag8 B8 F32 S32 Si8 -","8","1","","Huang, Guo; Yang, Chen; Xu, Zhengtao; Wu, Haohan; Li, Jing; Zeller, Matthias; Hunter, Allen D.; Chui, Stephen Sin-Yin; Che, Chi-Ming","Shape-Selective Sorption and Fluorescence Sensing of Aromatics in a Flexible Network of Tetrakis[(4-methylthiophenyl)ethynyl]silane and AgBF4","Chemistry of Materials","2009","21","3","541","","10.1021/cm8027687","","","0.71073","MoKα","","0.1044","0.0725","","","0.1913","0.2222","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000977","15.92","0.002","18.508","0.003","6.9299","0.0009","90","","90","","90","","2041.9","0.5","298","","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","3, 9-diphenyl-6, 12-dioxaanthanthrene","","","- C32 H18 O2 -","- C32 H18 O2 -","- C128 H72 O8 -","4","0.5","","Kobayashi, Norihito; Sasaki, Mari; Nomoto, Kazumasa","Stableperi-Xanthenoxanthene Thin-Film Transistors with Efficient Carrier Injection","Chemistry of Materials","2009","21","3","552","","10.1021/cm802826m","","","0.71073","MoKα","","0.1448","0.0505","","","0.108","0.1431","","","","","","0.974","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000978","8.952","0.003","9.036","0.003","11.98","0.01","110.44","0.05","108.64","0.04","97.06","0.03","829.9","0.9","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 F12 Mg O12 -","- C22 H34 F12 Mg O12 -","- C22 H34 F12 Mg O12 -","1","0.5","","Fragalà, Maria E.; Toro, Roberta G.; Rossi, Patrizia; Dapporto, Paolo; Malandrino, Graziella","Synthesis, Characterization, and Mass Transport Properties of a Self-Generating Single-Source Magnesium Precursor for MOCVD of MgF2Films","Chemistry of Materials","2009","21","10","2062","","10.1021/cm802923w","","","0.71069","MoKα","","0.08","0.0773","","","0.2212","0.2338","","","","","","1.053","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000979","12.5401","0.0006","35.6519","0.0019","7.0347","0.0004","90","","90","","90","","3145.1","0.3","295","2","295","2","","","","","","","","5","I b a m","-I 2 2c","72","","","","- C14 H24 O22 S2 Yb4 -","- C14 H24 O22 S2 Yb4 -","- C56 H96 O88 S8 Yb16 -","4","0.25","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0947","0.0719","","","0.1883","0.2007","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000980","7.3843","0.0008","7.8665","0.0008","13.7366","0.0015","86.119","0.002","86.097","0.002","86.398","0.002","792.9","0.15","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 O10 S2 Yb -","- C14 H9 O10 S2 Yb -","- C28 H18 O20 S4 Yb2 -","2","1","","Gándara, Felipe; Puebla, Enrique Gutiérrez; Iglesias, Marta; Proserpio, Davide M.; Snejko, Natalia; Monge, M. Ángeles","Controlling the Structure of Arenedisulfonates toward Catalytically Active Materials","Chemistry of Materials","2009","21","4","655","","10.1021/cm8029517","","","0.71073","MoKα","","0.0678","0.056","","","0.1291","0.1347","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000981","56.717","0.006","4.1874","0.0005","11.1892","0.0011","90","","94.912","0.003","90","","2647.6","0.5","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C8-BSBS","C8-BSBS","","- C30 H40 Se2 -","- C30 H40 Se2 -","- C120 H160 Se8 -","4","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0886","0.0706","","","0.1918","0.2167","","","","","","1.065","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000982","5.6136","0.0011","7.2956","0.0017","36.003","0.01","90","","92.881","0.01","90","","1472.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","C10-BSBS","C10-BSBS","","- C34 H48 Se2 -","- C34 H48 Se2 -","- C68 H96 Se4 -","2","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0434","0.0342","","","0.0812","0.083","","","","","","1.134","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000983","74.517","0.012","4.4014","0.0007","10.6926","0.0019","90","0.002","94.5","0.003","90","0.002","3496.1","1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C12-BSBS","C12-BSBS","","- C38 H56 Se2 -","- C38 H56 Se2 -","- C152 H224 Se8 -","4","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.7107","MoKα","","0.0916","0.0688","","","0.1689","0.185","","","","","","0.901","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000984","5.5648","0.0006","7.3316","0.0008","45.334","0.004","90","","93.289","0.003","90","","1846.5","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","C14-BSBS","C14-BSBS","","- C42 H64 Se2 -","- C42 H64 Se2 -","- C84 H128 Se4 -","2","0.5","","Izawa, Takafumi; Miyazaki, Eigo; Takimiya, Kazuo","Solution-Processible Organic Semiconductors Based on Selenophene-Containing Heteroarenes, 2,7-Dialkyl[1]benzoselenopheno[3,2-b][1]benzoselenophenes (Cn-BSBSs): Syntheses, Properties, Molecular Arrangements, and Field-Effect Transistor Characteristics","Chemistry of Materials","2009","21","5","903","","10.1021/cm8030126","","","0.71075","MoKα","","0.0756","0.0582","","","0.1433","0.1527","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000985","10.354","0.0012","10.354","0.0012","37.055","0.004","90","","90","","120","","3440.3","0.7","100","1","100","1","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- B2 H8 Mg -","- B2 H8 Mg -","- B60 H240 Mg30 -","30","2.5","","Filinchuk, Yaroslav; Černý, Radovan; Hagemann, Hans","Insight into Mg(BH4)2with Synchrotron X-ray Diffraction: Structure Revision, Crystal Chemistry, and Anomalous Thermal Expansion","Chemistry of Materials","2009","21","5","925","","10.1021/cm803019e","","","0.77029","synchrotron","","0.0445","0.0408","","","0.0929","0.0952","","","","","","1.18","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4000986","9.146","0.002","9.965","0.002","17.876","0.004","103.623","0.003","91.975","0.003","116.457","0.003","1399.2","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Cl2 Zr -","- C32 H38 Cl2 Zr -","- C64 H76 Cl4 Zr2 -","2","1","","Sun, Luyi; Liu, Jia; Kirumakki, Sharath R.; Schwerdtfeger, Eric D.; Howell, Robert J.; Al-Bahily, Khalid; Miller, Stephen A.; Clearfield, Abraham; Sue, Hung-Jue","Polypropylene Nanocomposites Based on Designed Synthetic Nanoplatelets","Chemistry of Materials","2009","21","6","1154","","10.1021/cm803024e","","","0.71073","MoKα","","0.0577","0.0411","","","0.0935","0.1053","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000987","5.49945","0.00016","5.42638","0.00018","11.3846","0.0005","90","","90","","90","","339.74","0.02","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000988","5.52598","0.00023","5.4558","0.00025","11.4457","0.0006","90","","90","","90","","345.07","0.03","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000989","5.55375","0.00031","5.4966","0.00031","11.5086","0.0009","90","","90","","90","","351.32","0.04","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000990","5.49484","0.00016","5.42153","0.00017","11.3721","0.0004","90","","90","","90","","338.78","0.019","","","","","","","","","","","","4","P 21 a m","P -2 2a","26","","","","- Bi Cs Nb2 O7 -","- Bi Cs Nb2 O7 -","- Bi2 Cs2 Nb4 O14 -","2","0.5","","Goff, Richard J.; Keeble, Dean; Thomas, Pamela A.; Ritter, Clemens; Morrison, Finlay D.; Lightfoot, Philip","Leakage and Proton Conductivity in the Predicted Ferroelectric CsBiNb2O7","Chemistry of Materials","2009","21","7","1296","","10.1021/cm8030895","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000991","14.447","0.0009","12.496","0.0011","14.806","0.0012","70.521","0.004","82.682","0.004","88.718","0.005","2498.8","0.3","150","0.2","150","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O8 Re S8 -","- C72 O32 Re4 S32 -","4","2","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0943","0.07","","","0.1665","0.1775","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000992","7.272","0.0005","12.513","0.0013","14.88","0.0014","70.492","0.005","82.574","0.005","89.032","0.006","1265.1","0.2","220","0.2","220","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0643","0.0537","","","0.1566","0.1619","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000993","7.302","0.0007","12.531","0.0016","14.911","0.0018","70.475","0.006","82.402","0.007","89.078","0.007","1274.1","0.3","260","0.2","260","0.2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0677","0.0528","","","0.1483","0.1551","","","","","","1.111","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000994","7.332","0.002","12.552","0.003","14.943","0.006","70.452","0.009","82.256","0.018","89.115","0.01","1283.5","0.7","300","0.2","300","2","","","","","","","","5","P -1","-P 1","2","(MeEDO-TTF)2ReO4","bis-4,5-ethylenedioxy-4'-methyltetrathiafulvalene-perrhenate","","- C18 H16 O8 Re S8 -","- C18 O7.96 Re S8 -","- C36 O15.92 Re2 S16 -","2","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0794","0.0585","","","0.1872","0.1993","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000995","8.415","0.0017","21.17","0.004","29.326","0.006","90","","90.6","0.03","90","","5224","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(MeEDO-TTF)2ReO4","(MeEDO-TTF)2ReO4","","- C18 H8 O8 Re S8 -","- C18 O8 Re S8 -","- C144 O64 Re8 S64 -","8","2","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.134","0.0886","","","0.2306","0.2573","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4000996","8.382","0.0005","21.511","0.0014","16.292","0.0019","90","","97.587","0.006","90","","2911.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","(MeEDO-TTF)4HCTMM","(MeEDO-TTF)4HCTMM","","- C46 H32 N6 O8 S16 -","- C46 H32 N6 O8 S16 -","- C92 H64 N12 O16 S32 -","2","0.5","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.137","0.1144","","","0.3257","0.3452","","","","","","1.374","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000997","8.351","0.0008","14.372","0.0014","15.421","0.0019","112.353","0.006","100.095","0.007","96.184","0.006","1654.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(CoCl4)2","(MeEDO-TTF)5(CoCl4)2","","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","- C45 H40 Cl8 Co2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0975","0.0597","","","0.1392","0.1602","","","","","","1.042","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000998","8.383","0.0008","14.457","0.0014","15.359","0.0019","111.965","0.006","99.799","0.007","96.161","0.006","1671.1","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","(MeEDO-TTF)5(MnCl4)2","(MEDO-TTF)5(MnCl4)2","","- C45 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","- C44.99 H40 Cl8 Mn2 O10 S20 -","1","1","","Shao, Xiangfeng; Yoshida, Yukihiro; Nakano, Yoshiaki; Yamochi, Hideki; Sakata, Masafumi; Maesato, Mitsuhiko; Otsuka, Akihiro; Saito, Gunzi; Koshihara, Shin-ya","Prediction of the Electronic Structure via Molecular Stacking Mode of Radical Cation Salts Based on Asymmetric Donor Molecule MeEDO-TTF","Chemistry of Materials","2009","21","6","1085","","10.1021/cm803180x","","","0.71073","MoKα","","0.0756","0.0562","","","0.1332","0.1453","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4000999","10.9878","0.0006","11.279","0.0008","12.8651","0.0009","111.898","0.003","90.934","0.003","97.886","0.002","1461.41","0.17","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0753","0.0578","","","0.1169","0.1258","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001000","22.474","0.002","10.6415","0.001","14.7196","0.0014","90","","90","","90","","3520.3","0.6","113","2","113","2","","","","","","","","2","C m c 21","C 2c -2","36","","","","- C51 H38 -","- C51 H38 -","- C204 H152 -","4","0.5","","Ye, Shanghui; Liu, Yunqi; Di, Chong-an; Xi, Hongxia; Wu, Weiping; Wen, Yugen; Lu, Kun; Du, Chunyan; Liu, Ying; Yu, Gui","Wide-Energy-Gap Host Materials for Blue Phosphorescent Organic Light-Emitting Diodes","Chemistry of Materials","2009","21","7","1333","","10.1021/cm8032302","","","0.7107","MoKα","","0.0375","0.0356","","","0.0841","0.0854","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001001","9.1263","0.0002","9.1263","0.0002","2.9899","0.0001","90","","90","","120","","215.664","0.01","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi0.78 Li2 O12 Rh6 -","- Bi0.78 Li2 O12 Rh6 -","- Bi0.78 Li2 O12 Rh6 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0168","0.0153","","","0.0315","0.032","","","","","","1.193","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001002","9.202","0.003","9.202","0.003","2.987","0.002","90","","90","","120","","219.04","0.18","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Bi0.75 O12 Rh4.92 Sc2.18 -","- Bi0.748 O12 Rh4.926 Sc2.176 -","- Bi0.748 O12 Rh4.926 Sc2.176 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0212","0.0203","","","0.0527","0.054","","","","","","1.282","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001003","8.9927","0.0004","8.9927","0.0004","3.0604","0.0003","90","","90","","120","","214.33","0.02","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Be Bi0.34 O6 Rh3 -","- Be Bi0.341 O6 Rh3 -","- Be2 Bi0.682 O12 Rh6 -","2","0.166667","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0188","0.0186","","","0.0573","0.0574","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001004","9.129","0.004","9.129","0.004","2.985","0.003","90","","90","","120","","215.4","0.3","173","2","173","2","","","","","","","","4","P 63/m","-P 6c","176","","","","- Li2 O12 Pb0.76 Rh6 -","- Li2 O12 Pb0.76 Rh6 -","- Li2 O12 Pb0.76 Rh6 -","1","0.0833333","","Mizoguchi, Hiroshi; Zakharov, L. N.; Marshall, W. J.; Sleight, A. W.; Subramanian, M. A.","AA′2Rh6O12: A New Family of Rhodium Oxides Exhibiting High Thermopower Coupled with High Electrical Conductivity","Chemistry of Materials","2009","21","6","994","","10.1021/cm803345s","","","0.71073","MoKα","","0.0255","0.0197","","","0.0396","0.0413","","","","","","1.111","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001005","8.2783","0.001","8.2783","0.001","8.2783","0.001","90","","90","","90","","567.31","0.12","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","Spinel-gallium-oxonitride","Gallium-oxonitride","","- Ga2.79 N0.76 O3.05 -","- Ga2.79 N0.7624 O3.052 -","- Ga22.32 N6.0992 O24.416 -","8","0.0416667","","Huppertz, Hubert; Hering, Stefanie A.; Zvoriste, Carmen E.; Lauterbach, Stefan; Oeckler, Oliver; Riedel, Ralf; Kinski, Isabel","High-Pressure Synthesis, Electron Energy-Loss Spectroscopy Investigations, and Single Crystal Structure Determination of a Spinel-Type Gallium Oxonitride Ga2.79◻0.21(O3.05N0.76◻0.19)","Chemistry of Materials","2009","21","10","2101","","10.1021/cm803371k","","","0.71073","MoKα","","0.0191","0.0171","","","0.0516","0.0528","","","","","","1.153","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001006","8.8298","0.0008","12.2817","0.0004","14.3159","0.0005","91.086","0.002","103.967","0.002","95.266","0.002","1498.87","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Fe N10 O2 S2 -","- C28 H30 Fe N10 O2 S2 -","- C56 H60 Fe2 N20 O4 S4 -","2","1","","Bonnet, Sylvestre; Molnár, Gábor; Sanchez Costa, José; Siegler, Maxime A.; Spek, Anthony L.; Bousseksou, Azedine; Fu, Wen-Tian; Gamez, Patrick; Reedijk, Jan","Influence of Sample Preparation, Temperature, Light, and Pressure on the Two-Step Spin Crossover Mononuclear Compound [Fe(bapbpy)(NCS)2]","Chemistry of Materials","2009","21","6","1123","","10.1021/cm803414q","","","0.71073","MoKα","","0.0785","0.0464","","","0.086","0.093","","","","","","1.191","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001007","14.0652","0.0002","3.9413","0.0001","6.7477","0.0001","90","","91.283","0.001","90","","373.966","0.012","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- K0.05 La0.91 Nb O4.1 -","- K0.05 La0.913 Nb O4.099 -","- K0.2 La3.652 Nb4 O16.396 -","4","1","","Nyman, May; Rodriguez, Mark A.; Alam, Todd M.; Anderson, Travis M.; Ambrosini, Andrea","Aqueous Synthesis and Structural Comparison of Rare Earth Niobates and Tantalates: (La,K,◻)2Nb2O7−x(OH)2and Ln2Ta2O7(OH)2(◻ = vacancy; Ln = La−Sm)","Chemistry of Materials","2009","21","11","2201","","10.1021/cm9001509","powder diffraction","x-ray","0.41317","synchrotron","","","","","","","","0.03372","","1.73","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001008","5.752","0.002","8.88","0.004","13.167","0.005","87.439","0.008","84.837","0.008","86.219","0.008","667.8","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","6,13-dihydro-6,13-diazapentacene","","- C20 H14 N2 -","- C20 H14 N2 -","- C40 H28 N4 -","2","1","","Tang, Qin; Zhang, Dieqing; Wang, Shenglong; Ke, Ning; Xu, Jianbin; Yu, Jimmy C.; Miao, Qian","A Meaningful Analogue of Pentacene: Charge Transport, Polymorphs, and Electronic Structures of Dihydrodiazapentacene","Chemistry of Materials","2009","21","7","1400","","10.1021/cm9001916","","","0.71073","MoKα","","0.0793","0.0559","","","0.1549","0.1869","","","","","","1.052","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001009","25.0681","0.0008","9.2334","0.0003","23.8407","0.0008","90","","100.205","0.0005","90","","5431","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H30 B2 F24 O6 -","- C60 H30 B2 F24 O6 -","- C240 H120 B8 F96 O24 -","4","0.5","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0923","0.0541","","","0.1177","0.1399","","","","","","1.027","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001010","14.9941","0.0004","9.1881","0.0003","15.3393","0.0004","90","","100.575","0.0004","90","","2077.36","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0403","0.0383","","","0.1005","0.1027","","","","","","1.025","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001011","15.0896","0.0006","9.2975","0.0003","15.4377","0.0006","90","","100.947","0.0005","90","","2126.43","0.14","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H42 B2 O8 -","- C54 H42 B2 O8 -","- C108 H84 B4 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0538","0.0455","","","0.1125","0.1188","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001012","17.22","0.003","10.4078","0.0017","13.283","0.002","90","","100.181","0.003","90","","2343.1","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B O8 -","- C30 H22 B O8 -","- C120 H88 B4 O32 -","4","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0903","0.0669","","","0.165","0.177","","","","","","1.084","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001013","17.324","0.006","10.56","0.003","13.652","0.005","90","","99.007","0.007","90","","2466.7","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 B O8 -","- C30 H22 B O8 -","- C120 H88 B4 O32 -","4","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.1417","0.0803","","","0.1988","0.2372","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001014","12.655","0.002","13.72","0.003","18.273","0.003","73.905","0.004","89.524","0.005","80.516","0.005","3004.3","1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H34 B2 F24 O8 -","- C62 H34 B2 F24.009 O8 -","- C124 H68 B4 F48.018 O16 -","2","1","","Sarkar, Arindam; Pal, Sushanta K.; Itkis, Mikhail E.; Liao, Puhong; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","Methoxy-Substituted Phenalenyl-Based Neutral Radical Molecular Conductor","Chemistry of Materials","2009","21","11","2226","","10.1021/cm900242a","","","0.71073","MoKα","","0.0797","0.0489","","","0.1195","0.1383","","","","","","1.013","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001015","7.1364","0.0004","7.1364","0.0004","11.4687","0.0013","90","","90","","120","","505.83","0.07","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Rb Se2 V3 -","- O12 Rb Se2 V3 -","- O24 Rb2 Se4 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0209","0.0189","","","0.0349","0.0353","","","","","","0.99","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001016","7.1248","0.0003","7.1248","0.0003","11.4287","0.0011","90","","90","","120","","502.43","0.06","296","2","296","2","","","","","","","","4","P 63","P 6c","173","","","","- O12 Se2 Tl V3 -","- O12 Se2 Tl V3 -","- O24 Se4 Tl2 V6 -","2","0.333333","","Chang, Hong Young; Kim, Sang-Hwan; Ok, Kang Min; Halasyamani, P. Shiv","New Polar Oxides: Synthesis, Characterization, Calculations, and Structure−Property Relationships in RbSe2V3O12and TlSe2V3O12","Chemistry of Materials","2009","21","8","1654","","10.1021/cm9002614","","","0.71073","MoKα","","0.0311","0.0285","","","0.0716","0.0724","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001017","64.229","0.005","7.6301","0.0005","5.8399","0.0004","90","","92.136","0.004","90","","2860","0.4","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 S2 -","- C34 H38 S2 -","- C136 H152 S8 -","4","0.5","","Liu, Ping; Wu, Yiliang; Pan, Hualong; Li, Yuning; Gardner, Sandra; Ong, Beng S.; Zhu, Shiping","Novel High-Performance Liquid-Crystalline Organic Semiconductors for Thin-Film Transistors","Chemistry of Materials","2009","21","13","2727","","10.1021/cm900265q","","","1.54178","CuKα","","0.1516","0.1094","","","0.2861","0.3278","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001018","26.259","0.005","7.36","0.0015","6.1739","0.0012","90","","94.51","0.03","90","","1189.5","0.4","113","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 S6 -","- C30 H16 S6 -","- C60 H32 S12 -","2","0.5","","Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben","High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene","Chemistry of Materials","2009","21","9","1993","","10.1021/cm900369s","","","0.71073","MoKα","","0.0822","0.0646","","","0.1422","0.1493","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001019","6.0327","0.0012","13.627","0.003","15.26","0.003","107.89","0.03","96.87","0.03","91.74","0.03","1182.3","0.5","113","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H12 S8 -","- C26 H12 S8 -","- C52 H24 S16 -","2","1","","Zhang, Lei; Tan, Lin; Wang, Zhaohui; Hu, Wenping; Zhu, Daoben","High-Performance, Stable Organic Field-Effect Transistors Based ontrans-1,2-(Dithieno[2,3-b:3′,2′-d]thiophene)ethene","Chemistry of Materials","2009","21","9","1993","","10.1021/cm900369s","","","0.71073","MoKα","","0.1319","0.075","","","0.1546","0.1835","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001020","10.485","","10.485","","10.901","","90","","90","","120","","1037.85","","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- Cl6 Fe H12 O6 Pt -","- Cl6 Fe H12 O6 Pt -","- Cl18 Fe3 H36 O18 Pt3 -","3","0.166667","","Capobianchi, Aldo; Colapietro, Marcello; Fiorani, Dino; Foglia, Sabrina; Imperatori, Patrizia; Laureti, Sara; Palange, Elia","General Strategy for Direct Synthesis of L10Nanoparticle Alloys from Layered Precursor: The Case of FePt","Chemistry of Materials","2009","21","10","2007","2009","10.1021/cm9003992","","","0.71073","","","0.026","0.026","","0.033","0.033","","","","1.164","1.164","1.164","","","","","has coordinates","218794","2020-10-21","18:00:00",""
"4001021","12.544","0.002","6.8773","0.0011","18.322","0.003","90","","101.746","0.003","90","","1547.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N4 Pt -","- C13 H17 N4 Pt -","- C52 H68 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0262","0.0197","","","0.0426","0.0445","","","","","","1.001","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001022","9.5109","0.0017","21.228","0.004","6.4158","0.0012","90","","96.675","0.003","90","","1286.6","0.4","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C10 H14 N4 Pt -","- C10 H14 N4 Pt -","- C40 H56 N16 Pt4 -","4","1","","Drew, Steven M.; Smith, Lisa I.; McGee, Kari A.; Mann, Kent R.","A Platinum(II) Extended Linear Chain Material That Selectively Uptakes Benzene","Chemistry of Materials","2009","21","14","3117","","10.1021/cm900401u","","","0.71073","MoKα","","0.0321","0.0252","","","0.0491","0.0507","","","","","","0.995","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001023","11.787","0.002","5.9569","0.0012","18.334","0.004","90","","97.17","0.03","90","","1277.2","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H22 -","- C38 H22 -","- C76 H44 -","2","0.5","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71073","MoKα","","0.0885","0.0479","","","0.09","0.1005","","","","","","0.998","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001024","22.866","0.005","5.3567","0.0011","16.93","0.003","90","","99.72","0.03","90","","2043.9","0.7","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C30 H18 -","- C30 H18 -","- C120 H72 -","4","0.5","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71073","MoKα","","0.1008","0.0594","","","0.1235","0.1388","","","","","","1.09","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001025","16.508","0.003","10.367","0.002","21.587","0.004","90","","90","","90","","3694.4","1.2","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H14 S2 -","- C26.01 H14.01 S1.861 -","- C208.08 H112.08 S14.888 -","8","1","","Wang, Chengliang; Liu, Yaling; Ji, Zhuoyu; Wang, Erjing; Li, Rongjin; Jiang, Hui; Tang, Qingxin; Li, Hongxiang; Hu, Wenping","Cruciforms: Assembling Single Crystal Micro- and Nanostructures from One to Three Dimensions and Their Applications in Organic Field-Effect Transistors","Chemistry of Materials","2009","21","13","2840","","10.1021/cm900511g","","","0.71069","MoKα","","0.0918","0.049","","","0.1211","0.142","","","","","","0.81","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001026","5.6102","0.0011","12.937","0.003","13.201","0.003","111.53","0.03","99.42","0.03","94.75","0.03","868.5","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H44 O2 S4 -","- C42 H44 O2 S4 -","- C42 H44 O2 S4 -","1","0.5","","Wang, Jie-Yu; Zhou, Yan; Yan, Jing; Ding, Lin; Ma, Yuguo; Cao, Yong; Wang, Jian; Pei, Jian","New Fused Heteroarenes for High-Performance Field-Effect Transistors","Chemistry of Materials","2009","21","13","2595","","10.1021/cm900568k","","","0.71073","MoKα","","0.0759","0.044","","","0.0968","0.1076","","","","","","0.905","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001027","10.3537","0.0002","10.3537","0.0002","13.2837","0.0005","90","","90","","120","","1233.22","0.06","293","2","293","2","","","","","","","","3","P 63/m c m","-P 6c 2","193","","","","- O15 Pb3 Rh7 -","- O15 Pb3 Rh7 -","- O60 Pb12 Rh28 -","4","0.166667","","Mizoguchi, Hiroshi; Ramirez, A. P.; Siegrist, T.; Zakharov, L. N.; Sleight, A. W.; Subramanian, M. A.","Possible Verwey-Type Transition in Pb3Rh7O15","Chemistry of Materials","2009","21","11","2300","","10.1021/cm900697s","","","0.71073","MoKα","","0.0173","0.017","","","0.0391","0.0392","","","","","","1.209","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001028","10.351","0.005","10.351","0.005","13.152","0.013","90","","90","","120","","1220.4","1.5","268","2","268","2","","","","","","","","4","P 63/m c m","-P 6c 2","193","","","","- Bi0.96 O15 Pb2.04 Rh7 -","- Bi0.96 O15 Pb2.04 Rh7 -","- Bi3.84 O60 Pb8.16 Rh28 -","4","0.166667","","Mizoguchi, Hiroshi; Ramirez, A. P.; Siegrist, T.; Zakharov, L. N.; Sleight, A. W.; Subramanian, M. A.","Possible Verwey-Type Transition in Pb3Rh7O15","Chemistry of Materials","2009","21","11","2300","","10.1021/cm900697s","","","0.71073","MoKα","","0.0228","0.0212","","","0.0487","0.0504","","","","","","1.276","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001029","7.805","0.0003","11.0797","0.0005","9.4489","0.0004","90","","106.013","0.002","90","","785.41","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H16 Cl2 N4 O0 Se2 -","- C10 H16 Cl2 N4 Se2 -","- C20 H32 Cl4 N8 Se4 -","2","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0225","0.0201","","","0.041","0.0415","","","","","","0.915","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001030","18.824","0.003","7.6306","0.0011","12.438","0.0018","90","","90","","90","","1786.6","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C10 H16 Cl4 N4 Pt Se2 -","- C10 H16 Cl4 N4 Pt Se2 -","- C40 H64 Cl16 N16 Pt4 Se8 -","4","1","","Choi, Jaewon; Ko, Ju Hong; Jung, Il Gu; Yang, Hye Yun; Ko, Kyoung Chul; Lee, Jin Yong; Lee, Sang Moon; Kim, Hae Jin; Nam, Jeong Ho; Ahn, Joung Real; Son, Seung Uk","Reaction of Imidazoline-2-Selone with Acids and Its Use for Selective Coordination of Platinum Ions on Silica Surface","Chemistry of Materials","2009","21","13","2571","","10.1021/cm900802z","","","0.71073","MoKα","","0.0662","0.0406","","","0.0782","0.0868","","","","","","0.972","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001031","7.6858","0.0006","7.6858","0.0006","7.6858","0.0006","90","","90","","90","","454.01","0.06","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Eu Rh1.08 Zn0.92 -","- Eu Rh1.078 Zn0.922 -","- Eu8 Rh8.624 Zn7.376 -","8","0.0416667","","Hermes, Wilfried; Harmening, Thomas; Pöttgen, Rainer","Ferromagnetism and Magnetocaloric Effect around 95 K in the Laves Phase EuRh1.2Zn0.8","Chemistry of Materials","2009","21","14","3325","","10.1021/cm900841t","","","0.56083","AgKα","","0.0168","0.0095","","","0.0114","0.0121","","","","","","1.207","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001032","12.9582","0.0009","13.1246","0.0009","20.0338","0.0014","106.486","0.001","100.577","0.001","98.147","0.001","3143","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","07146","","","- C66 H48 B Cu F24 N4 -","- C66 H48 B Cu F24 N4 -","- C132 H96 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0653","0.0465","","","0.1147","0.1287","","","","","","1.023","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001033","13.5298","0.001","14.5589","0.001","16.8576","0.0012","104.85","0.001","106.354","0.001","97.85","0.001","3000.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","06203","","","- C60 H36 B Cu F24 N4 -","- C60 H36 B Cu F24 N4 -","- C120 H72 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0875","0.0543","","","0.122","0.1344","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001034","16.171","0.001","16.194","0.001","16.754","0.001","113.524","0.001","90.951","0.002","107.56","0.001","3787.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","08232","","","- C84 H52 B Cu F24 N4 -","- C84 H52 B Cu F24 N4 -","- C168 H104 B2 Cu2 F48 N8 -","2","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71069","MoKα","","0.1116","0.0658","","","0.1605","0.1913","","","","","","1.029","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001035","12.514","0.003","18.018","0.004","23.063","0.005","90","","90.103","0.004","90","","5200","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 B Cu F4 N4 -","- C28 H24 B Cu F4 N4 -","- C224 H192 B8 Cu8 F32 N32 -","8","2","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.0806","0.0529","","","0.1178","0.1325","","","","","","1.05","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001036","14.586","0.0017","17.2051","0.0019","14.3183","0.0016","90","","103.637","0.002","90","","3491.9","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","09017","","","- C36 H40 B Cu F4 N4 -","- C36 H40 B Cu F4 N4 -","- C144 H160 B4 Cu4 F16 N16 -","4","1","","Smith, Conor S.; Mann, Kent R.","Void Space Containing Crystalline Cu(I) Phenanthroline Complexes As Molecular Oxygen Sensors","Chemistry of Materials","2009","21","21","5042","","10.1021/cm901109n","","","0.71073","MoKα","","0.1126","0.0546","","","0.1407","0.1758","","","","","","1.019","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001037","11.6719","0.0006","13.2121","0.0007","20.8465","0.0011","72.96","0.001","80.787","0.001","86.489","0.001","3033.6","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H43 N O4 Pt -","- C34 H43 N O4 Pt -","- C136 H172 N4 O16 Pt4 -","4","2","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0346","0.0284","","","0.0695","0.0721","","","","","","1.044","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001038","11.5266","0.0007","11.5631","0.0007","13.0188","0.0008","102.94","0.001","90.928","0.001","109.123","0.001","1590.23","0.17","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 N O4 Pt -","- C37 H47 N O4 Pt -","- C74 H94 N2 O8 Pt2 -","2","1","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0274","0.0228","","","0.0539","0.0555","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001039","25.5055","0.0012","21.3004","0.001","37.4088","0.0018","90","","108.121","0.001","90","","19315.4","1.6","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 Cl N O3 Pt S -","- C34 H45.998 Cl N O3 Pt S -","- C816 H1103.95 Cl24 N24 O72 Pt24 S24 -","24","6","","Santoro, Amedeo; Whitwood, Adrian C.; Williams, J. A. Gareth; Kozhevnikov, Valery N.; Bruce, Duncan W.","Synthesis, Mesomorphism, and Luminescent Properties of Calamitic 2-Phenylpyridines and Their Complexes with Platinum(II)","Chemistry of Materials","2009","21","16","3871","","10.1021/cm9012156","","","0.71073","MoKα","","0.0491","0.0329","","","0.0719","0.079","","","","","","1.08","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001040","9.2822","0.0009","3.8967","0.0004","12.0777","0.0011","90","","95.522","0.001","90","","434.82","0.07","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- Eu Ga2 P2 -","- Eu1.009 Ga1.982 P2 -","- Eu4.036 Ga7.928 P8 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0159","0.0148","","","0.0325","0.0327","","","","","","1.197","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001041","9.4953","0.0007","4.0294","0.0003","12.4237","0.0009","90","","95.304","0.001","90","","473.3","0.06","100","1","100","1","","","","","","","","3","P 1 2/m 1","-P 2y","10","","","","- As2 Eu Ga2 -","- As2 Eu1.00685 Ga1.9863 -","- As8 Eu4.0274 Ga7.9452 -","4","1","","Goforth, Andrea M.; Hope, Håkon; Condron, Cathie L.; Kauzlarich, Susan M.; Jensen, Newell; Klavins, Peter; MaQuilon, Samuel; Fisk, Zachary","Magnetism and Negative Magnetoresistance of Two Magnetically Ordering, Rare-Earth-Containing Zintl phases with a New Structure Type: EuGa2Pn2(Pn = P, As)","Chemistry of Materials","2009","21","19","4480","","10.1021/cm901219u","","","0.71073","MoKα","","0.0161","0.0155","","","0.0315","0.0317","","","","","","1.261","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001042","10.9807","0.0006","16.9871","0.0007","17.3239","0.0007","81.0128","0.0014","82.301","0.002","75.0575","0.0016","3068.9","0.2","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu F12 N4 P2 -","- C24 H28 Cu F12 N4 P2 -","- C96 H112 Cu4 F48 N16 P8 -","4","2","","Noro, Shin-ichiro; Tanaka, Daisuke; Sakamoto, Hirotoshi; Shimomura, Satoru; Kitagawa, Susumu; Takeda, Sadamu; Uemura, Kazuhiro; Kita, Hidetoshi; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Selective Gas Adsorption in One-Dimensional, Flexible Cu^II^ Coordination Polymers with Polar Units","Chemistry of Materials","2009","21","14","3346","3355","10.1021/cm9012969","","","0.71075","MoKα","","","0.0353","","","","0.0591","","","","","","1.064","","","","has coordinates","218799","2020-10-21","18:00:00",""
"4001043","20.652","0.003","6.798","0.001","9.954","0.001","90","","92.145","0.006","90","","1396.5","0.3","293","","293","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C14 O5 V -","- C14 O5 V -","- C56 O20 V4 -","4","1","","Djerdj, Igor; Cao, Minhua; Rocquefelte, Xavier; Černý, Radovan; Jagličić, Zvonko; Arčon, Denis; Potočnik, Anton; Gozzo, Fabia; Niederberger, Markus","Structural Characterization of a Nanocrystalline Inorganic−Organic Hybrid with Fiberlike Morphology and One-Dimensional Antiferromagnetic Properties","Chemistry of Materials","2009","21","14","3356","","10.1021/cm901345h","powder diffraction","","1.03469","synchrotron","","","","","","","","","1.02","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001044","3.986","0.003","12.488","0.001","25.251","0.002","90","","90","","90","","1256.9","1","296.2","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C7 H4 Br0.41 I0.85 S4 Se2 -","- C5.5 H3 I1.14 S4 Se2 -","- C22 H12 I4.56 S16 Se8 -","4","0.5","","Bando, Yoshimasa; Kawamoto, Tadashi; Mori, Takehiko; Kakiuchi, Toru; Sawa, Hiroshi; Takimiya, Kazuo; Otsubo, Tetsuo","Organic Superconductivity Enhanced by Asymmetric-Anion Random Potential in (MDT-TS)I0.85Br0.41[MDT-TS = 5H-2-(1,3-diselenole-2-ylidene)-1,3,4,6-tetrathiapentalene]","Chemistry of Materials","2009","21","15","3521","","10.1021/cm901456j","","","0.7107","MoKα","","","0.0325","","","","0.0301","","","","","","1.303","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001045","11.579","0.003","5.476","0.001","59.015","0.002","90","","90.28","0.02","90","","3741.9","1.2","300","","293","","","","","","","","","4","I 1 m 1","I -2y","8","","","","- Bi14.32 O42 P7 Zn1.99 -","- Bi14.31 O41 P7 Zn1.9936 -","- Bi57.24 O164 P28 Zn7.9744 -","4","1","","Huvé, Marielle; Colmont, Marie; Lejay, Julien; Aschehoug, Patrick; Mentré, Olivier","Building Units and Intergrowths: Toward the Design of an Extended Family of Acentric Bi-Based Materials with Second Harmonic Generacy","Chemistry of Materials","2009","21","17","4019","","10.1021/cm901466e","","","0.71069","MoKα","","0.1107","0.0817","","","0.0774","0.0984","","","","2.48","2.48","2.51","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001046","11.4651","0.0003","11.4651","0.0003","8.9154","0.0003","90","","90","","90","","1171.92","0.06","293","2","293","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H0 Ho K O12 -","- C4 Ho K O12 -","- C16 Ho4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Hembram, K. P. S. S.; Waghmare, Umesh; Maji, Tapas Kumar","Immobilization of Alkali Metal Ions in a 3D Lanthanide-Organic Framework: Selective Sorption and H2Storage Characteristics","Chemistry of Materials","2009","21","22","5406","","10.1021/cm9014749","","","0.71073","MoKα","","0.0291","0.0255","","","0.0921","0.0927","","","","","","1.385","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001047","13.6623","0.0005","13.9688","0.0006","18.0454","0.0009","90","","111.235","0.003","90","","3210.1","0.3","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H39 B2 Li2 N13 O -","- C27 H39 B2 Li2 N13 O -","- C108 H156 B8 Li8 N52 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.118","0.096","","","0.2684","0.2889","","","","","","1.058","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001048","16.3138","0.0001","16.3138","0.0001","16.3138","0.0001","90","","90","","90","","4341.76","0.05","150","2","150","2","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- C20 H28 B Li N8 -","- C20 H28 B Li N8 -","- C120 H168 B6 Li6 N48 -","6","0.25","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.0752","0.0691","","","0.2063","0.2121","","","","","","1.045","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001049","12.4369","0.0003","13.4869","0.0003","17.8943","0.0003","90","","90.709","0.001","90","","3001.27","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 B Li N9 O -","- C32 H31 B Li N9 O -","- C128 H124 B4 Li4 N36 O4 -","4","1","","Wu, Tao; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Variable Lithium Coordination Modes in Two- and Three-Dimensional Lithium Boron Imidazolate Frameworks","Chemistry of Materials","2009","21","16","3830","","10.1021/cm9015063","","","0.71073","MoKα","","0.1006","0.0548","","","0.1356","0.1596","","","","","","1.07","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001050","5.8511","0.0012","16.252","0.003","10.372","0.002","90","","100.77","0.03","90","","968.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","0.5","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0408","","","","0.086","","","","","","1.154","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001051","5.845","0.0012","16.248","0.003","10.318","0.002","90","","101.12","0.03","90","","961.5","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Bi Br5 N2 -","- C12 H14 Bi Br5 N2 -","- C24 H28 Bi2 Br10 N4 -","2","1","","Bi, Wenhua; Leblanc, Nicolas; Mercier, Nicolas; Auban-Senzier, Pascale; Pasquier, Claude","Thermally Induced Bi(III) Lone Pair Stereoactivity: Ferroelectric Phase Transition and Semiconducting Properties of (MV)BiBr5(MV= methylviologen)","Chemistry of Materials","2009","21","18","4099","","10.1021/cm9016003","","x-ray","0.71073","MoKα","","","0.0421","","","","0.0846","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001052","10.3829","0.0006","10.3829","","8.5722","0.0008","90","","90","","120","","800.31","0.09","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 Nb3 O13.5 -","- Ba6 Nb3 O13.5 -","- Ba12 Nb6 O27 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001053","3.33572","0.00023","3.33572","","3.33572","","90","","90","","90","","37.117","0.003","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Nb -","- Nb -","- Nb2 -","2","0.0208333","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001054","6.0327","0.0015","12.4065","0.0027","10.431","0.0032","90","","90","","90","","780.7","0.4","","","298","","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- Ba6 H Nb3 O14 -","- Ba6 H Nb3 O14 -","- Ba12 H2 Nb6 O28 -","2","0.5","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","neutron","1.621","","","","","","","","","0.08466","","2.83","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001055","11.6795","0.0003","19.9926","0.0006","8.9249","0.0003","90","","93.168","0.001","90","","2080.81","0.11","293","","293","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 Co3 N2 O14 S3 -","- C2 H12 Co3 N2 O14 S3 -","- C12 H72 Co18 N12 O84 S18 -","6","1.5","","Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D.","Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity","Chemistry of Materials","2009","21","18","4102","","10.1021/cm901765n","","","0.71073","MoKα","","0.022","0.0211","","0.0258","0.0255","0.0255","","","","","","1.0646","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001056","9.4541","0.0003","16.3285","0.0005","15.0644","0.0005","90","","90.212","0.001","90","","2325.49","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H70 Br2 P4 Pd2 -","- C38 H70 Br2 P4 Pd2 -","- C76 H140 Br4 P8 Pd4 -","2","0.5","","Altman, Marc; Zenkina, Olena V.; Ichiki, Takahiko; Iron, Mark A.; Evmenenko, Guennadi; Dutta, Pulak; van der Boom, Milko E.","Positive Constructs: Charges Localized on Surface-Confined Organometallic Oligomers","Chemistry of Materials","2009","21","19","4676","","10.1021/cm901789e","","","0.71073","MoKα","","0.0506","0.034","","","0.0809","0.0885","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001057","9.5228","","5.4869","","5.4818","","90","","125.222","","90","","233.99","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce0.4 O3 Sr0.4 Ti -","- Ce0.3556 O2.6668 Sr0.3556 Ti0.888933 -","- Ce1.0668 O8.0004 Sr1.0668 Ti2.6668 -","3","0.375","","Ubic, Rick; Subodh, Ganesanpotti; Gout, Delphine; Sebastian, Mailadil T.; Proffen, Thomas","Crystal Structure of Sr0.4Ce0.4TiO3Ceramics","Chemistry of Materials","2009","21","19","4706","","10.1021/cm9018698","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001058","71.687","0.003","71.687","0.003","71.687","0.003","90","","90","","90","","368401","3","100","2","100","2","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C306 H102 Al51 O374 -","- C306 H102 Al51 O374 -","- C4896 H1632 Al816 O5984 -","16","0.0833333","","Volkringer, Christophe; Popov, Dimitry; Loiseau, Thierry; Férey, Gérard; Burghammer, Manfred; Riekel, Christian; Haouas, Mohamed; Taulelle, Francis","Synthesis, Single-Crystal X-ray Microdiffraction, and NMR Characterizations of the Giant Pore Metal-Organic Framework Aluminum Trimesate MIL-100","Chemistry of Materials","2009","21","24","5695","","10.1021/cm901983a","","","0.9612","synchrotron","","0.2279","0.1744","","","0.4014","0.4298","","","","","","1.441","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001059","8.3193","0.0007","11.207","0.0008","12.0009","0.0009","87.175","0.006","77.446","0.007","84.556","0.006","1086.75","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H3 Cl9 N2 S2 -","- C19 H3 Cl9 N2 S2 -","- C38 H6 Cl18 N4 S4 -","2","1","","Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials","Chemistry of Materials","2009","21","24","5763","","10.1021/cm901986k","","","0.71073","MoKα","","0.1071","0.0381","","","0.0521","0.0607","","","","","","0.714","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001060","11.8343","0.0009","12.336","0.0005","12.7275","0.0008","84.027","0.004","63.974","0.007","66.052","0.006","1519.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H9 Cl7 N6 S6 -","- C25 H9 Cl7 N6 S6 -","- C50 H18 Cl14 N12 S12 -","2","1","","Fang, Xiao-Liang; Deng, Shun-Liu; Wang, Jing; Wang, Xiao-Feng; Chen, Cheng; Li, Yue; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","From Self-Assembled Microspheres to Self-Templated Nanotubes: Morphologies and Properties of Sulfur-Bridged Fluoranthene-Based Organic Materials","Chemistry of Materials","2009","21","24","5763","","10.1021/cm901986k","","","0.71073","MoKα","","0.1286","0.0727","","","0.1697","0.1853","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4001061","27.808","0.003","5.5222","0.0004","17.8631","0.0012","90","","117.876","0.004","90","","2424.8","0.4","93.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 S2 -","- C34 H24 S2 -","- C136 H96 S8 -","4","0.5","","Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro","Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues","Chemistry of Materials","2009","21","19","4350","","10.1021/cm902037w","","","0.71075","MoKα","","","0.0418","","","","0.124","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001062","6.081","0.0007","9.2666","0.0011","11.819","0.0014","114.383","0.003","92.559","0.003","91.396","0.003","605.32","0.12","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H20 F4 O2 -","- C34 H20 F4 O2 -","- C34 H20 F4 O2 -","1","0.5","","Bolag, Altan; Mamada, Masashi; Nishida, Jun-ichi; Yamashita, Yoshiro","Field-Effect Transistors Based on Tetraphenyldipyranylidenes and the Sulfur Analogues","Chemistry of Materials","2009","21","19","4350","","10.1021/cm902037w","","","0.71075","MoKα","","","0.0509","","","","0.1493","","","","","","0.956","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001063","7.82857","0.00008","11.21789","0.00012","7.46427","0.00008","90","","90","","90","","655.512","0.012","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- La O4 Ta -","- La O4 Ta -","- La8 O32 Ta8 -","8","1","","Nyman, May; Rodriguez, Mark A.; Rohwer, Lauren E.S.; Martin, James E.; Waller, Mollie; Osterloh, Frank E.","Unique LaTaO4Polymorph for Multiple Energy Applications","Chemistry of Materials","2009","21","19","4731","","10.1021/cm9020645","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001064","11.377","0.002","15.472","0.003","16.952","0.003","78.328","0.003","75.912","0.003","72.344","0.003","2731.1","0.9","274","1","274","1","","","","","","","","6","P -1","-P 1","2","","","","- C78 H64 Bi6 N26 O40 S8 -","- C78 H64 Bi6 N26 O40 S8 -","- C78 H64 Bi6 N26 O40 S8 -","1","0.5","","Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene","Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes","Chemistry of Materials","2009","21","22","5456","","10.1021/cm902229x","","","0.71073","MoKα","","0.2128","0.0727","","","0.1487","0.1813","","","","","","0.881","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001065","8.0243","0.0016","10.283","0.002","18.892","0.004","78.1","0.03","78.59","0.03","76.55","0.03","1465","0.6","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H10 Bi N3 O7.5 S0.5 -","- C11 H10 Bi N3 O7.5 S0.5 -","- C44 H40 Bi4 N12 O30 S2 -","4","2","","Stavila, Vitalie; Whitmire, Kenton H.; Rusakova, Irene","Synthesis of Bi2S3Nanostructures from Bismuth(III) Thiourea and Thiosemicarbazide Complexes","Chemistry of Materials","2009","21","22","5456","","10.1021/cm902229x","","","0.71073","MoKα","","0.0361","0.0284","","","0.0741","0.0766","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001066","18.354","0.002","11.8461","0.0015","9.7261","0.0013","90","","104.899","0.002","90","","2043.6","0.4","566","2","566","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cd N4 O6 S2 -","- C16 H18 Cd N4 O6 S2 -","- C64 H72 Cd4 N16 O24 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.054","0.0358","","","0.084","0.0997","","","","","","0.896","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001067","24.128","0.005","9.5953","0.0019","17.986","0.004","90","","109.6","0.03","90","","3922.8","1.6","298","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 Cd N6 O4.5 S2 -","- C14 H17 Cd N6 O4.5 S2 -","- C112 H136 Cd8 N48 O36 S16 -","8","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.029","0.0224","","","0.0565","0.0616","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001068","19.039","0.004","8.933","0.0018","13.876","0.003","90","","111.37","0.03","90","","2197.7","0.9","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H22 Cd N8 O6 S2 -","- C14 H22 Cd N8 O6 S2 -","- C56 H88 Cd4 N32 O24 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0842","0.0296","","","0.0627","0.0683","","","","","","0.595","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001069","9.2018","0.0009","9.991","0.001","15.9863","0.0015","80.069","0.002","82.155","0.002","88.526","0.002","1434.1","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H11 Cd N5 O4 S2 -","- C9 H11 Cd N5 O4 S2 -","- C36 H44 Cd4 N20 O16 S8 -","4","2","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0809","0.0265","","","0.0528","0.0592","","","","","","0.422","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001070","9.3152","0.0006","11.1894","0.0007","17.3774","0.001","90","","94.253","0.001","90","","1806.28","0.19","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Cd N7 O7 S2 -","- C9 H19 Cd N7 O7 S2 -","- C36 H76 Cd4 N28 O28 S8 -","4","1","","Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.","Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition","Chemistry of Materials","2009","21","23","5617","","10.1021/cm902230u","","","0.71073","MoKα","","0.0524","0.0267","","","0.0552","0.0583","","","","","","0.633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001071","9.748","0.001","20.048","0.001","7.489","0.001","90","","134.42","0.01","90","","1045.3","0.3","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","MIL-120","","","- C10 H20 Al4 O21 -","- C10 H10 Al4 O21 -","- C20 H20 Al8 O42 -","2","0.25","","Volkringer, Christophe; Loiseau, Thierry; Haouas, Mohamed; Taulelle, Francis; Popov, Dmitry; Burghammer, Manfred; Riekel, Christian; Zlotea, Claudia; Cuevas, Fermin; Latroche, Michel; Phanon, Delphine; Knöfelv, Christina; Llewellyn, Philip L.; Férey, Gérard","Occurrence of Uncommon Infinite Chains Consisting of Edge-Sharing Octahedra in a Porous Metal Organic Framework-Type Aluminum Pyromellitate Al4(OH)8[C10O8H2] (MIL-120): Synthesis, Structure, and Gas Sorption Properties","Chemistry of Materials","2009","21","24","5783","","10.1021/cm9023106","","","0.9613","synchrotron","","0.0947","0.0818","","","0.2184","0.2322","","","","","","0.964","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001072","10.69238","0.00033","10.69238","","10.69238","","90","","90","","90","","1222.43","0.04","","","298","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Cerium zirconate","","","- Ce2 O7 Zr2 -","- Ce2 O7 Zr2 -","- Ce16 O56 Zr16 -","8","0.0416667","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.07167","","1.99","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001073","10.61007","0.00023","10.61007","","10.61007","","90","","90","","90","","1194.41","0.03","","","298","","","","","","","","Synthetic","3","F -4 3 m","F -4 2 3","216","Cerium zirconate","","","- Ce4 O15.02 Zr4 -","- Ce4 O15.0238 Zr4 -","- Ce16 O60.0952 Zr16 -","4","0.0416667","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.04246","","1.68","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001074","10.54431","0.00019","10.54431","","10.54431","","90","","90","","90","","1172.34","0.02","","","298","","","","","","","","Synthetic","3","P 21 3","P 2ac 2ab 3","198","Cerium zirconate","","","- Ce O4 Zr -","- Ce O4 Zr -","- Ce16 O64 Zr16 -","16","1.33333","","Achary, S. Nagabhusan; Sali, Sanjay K.; Kulkarni, Narendra K.; Krishna, P. Siva Ram; Shinde, Anil B.; Tyagi, Avesh K.","Intercalation/Deintercalation of Oxygen: A Sequential Evolution of Phases in Ce2O3/CeO2−ZrO2Pyrochlores","Chemistry of Materials","2009","21","24","5848","","10.1021/cm902450q","powder diffraction","neutron","1.249","","","","","","","","","0.05191","","1.99","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001075","17.25","0.01","19.467","0.009","14.031","0.012","90","","95.22","0.05","90","","4692","5","233","2","233","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C51 H30 Cu3 N3 O12 -","- C51 H30 Cu3 N3 O12 -","- C204 H120 Cu12 N12 O48 -","4","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.71073","MoKα","","0.0507","0.0395","","","0.0902","0.0994","","","","","","1.019","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001076","17.094","0.003","19.605","0.003","11.782","0.002","90","","113.95","0.004","90","","3608.5","1","243","2","243","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Cu N O4.5 -","- C18 H13 Cu N O4.5 -","- C144 H104 Cu8 N8 O36 -","8","1","","Kanoo, Prakash; Matsuda, Ryotaro; Higuchi, Masakazu; Kitagawa, Susumu; Maji, Tapas Kumar","New Interpenetrated Copper Coordination Polymer Frameworks having Porous Properties","Chemistry of Materials","2009","21","24","5860","","10.1021/cm9025683","","","0.7107","MoKα","","0.0763","0.0576","","","0.1709","0.1903","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001077","10.5211","0.0013","10.7151","0.0013","5.7452","0.0007","90","","90","","90","","647.68","0.14","296","2","296","2","","","","","","","","3","C m c 21","C 2c -2","36","","","","- O5 Pb3 Se -","- O5 Pb3 Se -","- O20 Pb12 Se4 -","4","0.5","","Kim, Sang-Hwan; Yeon, Jeongho; Halasyamani, P. Shiv","Noncentrosymmetric Polar Oxide Material, Pb3SeO5: Synthesis, Characterization, Electronic Structure Calculations, and Structure−Property Relationships","Chemistry of Materials","2009","21","21","5335","","10.1021/cm902639p","","","0.71073","MoKα","","0.0263","0.0251","","","0.0506","0.0509","","","","","","1.031","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001078","8.0322","0.0004","8.4306","0.0005","16.3624","0.001","88.66","0.003","81.815","0.003","61.977","0.002","966.93","0.1","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H54 Si2 -","- C46 H54 Si2 -","- C46 H54 Si2 -","1","0.5","","Winzenberg, Kevin N.; Kemppinen, Peter; Fanchini, Giovanni; Bown, Mark; Collis, Gavin E.; Forsyth, Craig M.; Hegedus, Katalin; Singh, Th. Birendra; Watkins, Scott E.","Dibenzo[b,def]chrysene Derivatives: Solution-Processable Small Molecules that Deliver High Power-Conversion Efficiencies in Bulk Heterojunction Solar Cells","Chemistry of Materials","2009","21","24","5701","","10.1021/cm9028337","","","0.71073","MoKα","","0.0817","0.0749","","","0.1329","0.1355","","","","","","1.265","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001079","14.0386","0.0013","14.1668","0.0013","16.2804","0.0015","90.891","0.002","106.262","0.001","112.27","0.001","2849.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H90 Fe6 O28 -","- C80 H66 Fe6 O28 -","- C80 H66 Fe6 O28 -","1","0.5","","Tahir, Asif Ali; Wijayantha, K. G. Upul; Saremi-Yarahmadi, Sina; Mazhar, Muhammad; McKee, Vickie","Nanostructured α-Fe2O3Thin Films for Photoelectrochemical Hydrogen Generation","Chemistry of Materials","2009","21","16","3763","","10.1021/cm803510v","","","0.71073","MoKα","","0.0539","0.0438","","","0.1143","0.119","","","","","","0.991","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001900","4.9292","0.0002","8.5315","0.0002","5.0251","0.0001","90","","109.337","0.002","90","","199.402","0.01","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Dilithium Manganate(IV)","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li8 Mn4 O12 -","4","0.5","","Boulineau, A.; Croguennec, L.; Delmas, C.; Weill, F.","Reinvestigation of Li~2~MnO~3~ structure: electron diffraction and high resolution TEM","Chemistry of Materials","2009","21","18","4216","4222","10.1021/cm900998n","","","","","","0.078","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""