# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-26T12:34:58+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 'J. Mater. Chem.') AND volume = 13 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"7204482","14.7856","0.0014","14.7856","0.0014","33.637","0.009","90","","90","","120","","6368.3","1.9","293","2","293","2","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","","","- C24 H60 Ag3 I4 Mo N3 O S3 -","- C24 H60 Ag3 I4 Mo N3 O S3 -","- C144 H360 Ag18 I24 Mo6 N18 O6 S18 -","6","0.333333","","Zhang, Chi; Song, Yinglin; Wang, Xin; Kühn, Fritz E.; Wang, Yuxiao; Xu, Yan; Xin, Xinquan","Large third-order optical nonlinearity of two cubane-like clusters containing oxotrithiometalate anions and silver: synthesis, characterization, reactivity, and NLO properties‒structure correlation","Journal of Materials Chemistry","2003","13","3","571","","10.1039/b205450g","","","0.71073","MoKα","","0.0495","0.0404","","","0.1013","0.1075","","","","","","1.004","","","","has coordinates","180375","2020-10-21","18:00:00",""
"7204487","8.915","0.0005","10.6693","0.0007","11.0624","0.0007","107.456","0.001","97.5","0.001","114.034","0.001","877.33","0.09","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N3 O2 -","- C21 H17 N3 O2 -","- C42 H34 N6 O4 -","2","1","","Liang, Yongchao; Dvornikov, A. S.; Rentzepis, P. M.","New near infrared-sensitive photochromic fluorescing molecules","Journal of Materials Chemistry","2003","13","2","286","","10.1039/b206577k","","","0.71073","MoKα","","0.0993","0.0526","","","0.1169","0.1446","","","","","","1.011","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204491","7.2582","0.0002","7.3697","0.0002","11.8514","0.0003","90","","99.4053","0.0019","90","","625.42","0.03","150","","150","","","","","","","","?","6","P 1 2/c 1","-P 2yc","13","","","","- C3 H14 N2 O11 S2 U -","- C3 H14 N2 O11 S2 U -","- C6 H28 N4 O22 S4 U2 -","2","0.5","","Thomas, Paul M.; Norquist, Alexander J.; Doran, Michael B.; O'Hare, Dermot","Organically templated uranium(vi) sulfates: understanding phase stability using composition space","Journal of Materials Chemistry","2003","13","1","88","","10.1039/b206694g","","","0.71073","MoKα","","","0.0185","","","","0.0434","","","","","","0.8569","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204492","10.7391","0.0003","10.3791","0.0003","18.0265","0.0007","90","","106.942","0.0012","90","","1922.07","0.11","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 N2 O17 S3 U2 -","- C3 H14 N2 O17 S3 U2 -","- C12 H56 N8 O68 S12 U8 -","4","1","","Thomas, Paul M.; Norquist, Alexander J.; Doran, Michael B.; O'Hare, Dermot","Organically templated uranium(vi) sulfates: understanding phase stability using composition space","Journal of Materials Chemistry","2003","13","1","88","","10.1039/b206694g","","","0.71073","MoKα","","","0.0343","","","","0.0825","","","","","","0.9884","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204516","14.0654","0.0004","6.8771","0.0002","6.9255","0.0003","90","","90","","90","","669.9","0.04","","","295","","","","","","","","","4","C m c 21","C 2c -2","36","Vanadyl diacetate","","","- C8 H12 O10 V2 -","- C8 O10 V2 -","- C16 O20 V4 -","2","0.25","","Weeks, Curtis; Song, Yanning; Suzuki, Masatsugu; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","The one dimensional chain structures of vanadyl glycolate and vanadyl acetateElectronic supplementary information (ESI) available: difference plots and reflections lists for VO(CH3COO)2 and VO(OCH2CH2O). See http://www.rsc.org/suppdata/jm/b2/b208100h/","Journal of Materials Chemistry","2003","13","6","1420","","10.1039/b208100h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204517","9.2707","0.0008","9.7345","0.0009","9.9132","0.0008","90","","106.029","0.003","90","","859.84","0.13","","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Vanadyl glycolate","","","- C8 H16 O12 V4 -","- C8 H16 O12 V4 -","- C16 H32 O24 V8 -","2","0.25","","Weeks, Curtis; Song, Yanning; Suzuki, Masatsugu; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","The one dimensional chain structures of vanadyl glycolate and vanadyl acetateElectronic supplementary information (ESI) available: difference plots and reflections lists for VO(CH3COO)2 and VO(OCH2CH2O). See http://www.rsc.org/suppdata/jm/b2/b208100h/","Journal of Materials Chemistry","2003","13","6","1420","","10.1039/b208100h","powder diffraction","x-ray","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","191973","2020-10-21","18:00:00",""
"7204520","8.7507","0.0002","9.4424","0.0002","13.7058","0.0002","74.0139","0.0009","86.8875","0.001","81.312","0.001","1076.09","0.04","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 F12 N2 O4 Pd -","- C16 H16 F12 N2 O4 Pd -","- C32 H32 F24 N4 O8 Pd2 -","2","1","","Liu, Yan-Hsiu; Cheng, Yi-Ching; Tung, Yung-Liang; Chi, Yun; Chen, Yao-Lun; Liu, Chao-Shiuan; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and characterization of fluorinated β-ketoiminate and imino-alcoholate Pd complexes: precursors for palladium chemical vapor deposition","Journal of Materials Chemistry","2003","13","1","135","142","10.1039/b208535f","","","0.71073","MoKα","","0.0428","0.0323","","","0.0792","0.0859","","","","","","1.087","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204521","5.8906","0.0001","10.274","0.0002","10.9422","0.0001","77.307","0.001","89.906","0.001","75.714","0.001","625.091","0.018","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 F12 N2 O4 Pd -","- C18 H24 F12 N2 O4 Pd -","- C18 H24 F12 N2 O4 Pd -","1","0.5","","Liu, Yan-Hsiu; Cheng, Yi-Ching; Tung, Yung-Liang; Chi, Yun; Chen, Yao-Lun; Liu, Chao-Shiuan; Peng, Shie-Ming; Lee, Gene-Hsiang","Synthesis and characterization of fluorinated β-ketoiminate and imino-alcoholate Pd complexes: precursors for palladium chemical vapor deposition","Journal of Materials Chemistry","2003","13","1","135","142","10.1039/b208535f","","","0.71073","MoKα","","0.0273","0.0262","","0.0636","0.063","","","","1.061","1.064","1.064","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204528","14.627","0.0006","15.1447","0.0007","16.6446","0.0007","90","","90","","90","","3687.1","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- H O8.5 Rb2 Si2 U -","- O8.5 Rb2 Si2 U -","- O136 Rb32 Si32 U16 -","16","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0577","0.0346","","","0.1037","0.1092","","","","","","1.18","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204529","7.6989","0.0008","20.974","0.002","12.05","0.0012","90","","97.919","0.002","90","","1927.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H2 O9 Rb2 Si2 U -","- O9 Rb2 Si2 U -","- O72 Rb16 Si16 U8 -","8","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0704","0.0509","","","0.1264","0.1366","","","","","","1.001","","","","has coordinates","209504","2020-10-21","18:00:00",""
"7204530","15.0472","0.0008","15.4265","0.0008","16.7315","0.0009","90","","90","","90","","3883.8","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- Cs2 H O8.5 Si2 U -","- Cs2 O8.5 Si2 U -","- Cs32 O136 Si32 U16 -","16","2","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.0514","0.0291","","","0.0691","0.0738","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204531","6.8437","0.0017","8.314","0.002","11.273","0.003","72.794","0.005","88.741","0.005","77.95","0.004","598.7","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- O24 Rb4 Si8 U2 -","- O24 Rb4 Si8 U2 -","- O24 Rb4 Si8 U2 -","1","0.5","","Huang, Jin; Wang, Xiqu; Jacobson, Allan J.","Hydrothermal synthesis and structures of the new open-framework uranyl silicates Rb4(UO2)2(Si8O20) (USH-2Rb), Rb2(UO2)(Si2O6)·H2O (USH-4Rb) and A2(UO2)(Si2O6)·0.5H2O (USH-5A; A = Rb, Cs)","Journal of Materials Chemistry","2003","13","2","191","","10.1039/b208787c","","","0.71073","MoKα","","0.1087","0.0688","","","0.152","0.1734","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204539","17.725","0.005","10.149","0.003","9.547","0.003","90","","120.72","0.002","90","","1476.4","0.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C4 H12 F2 Ge4 N2 O10 Zr -","- C4 F2 Ge4 N2 O10 Zr -","- C16 F8 Ge16 N8 O40 Zr4 -","4","0.5","","Liu, Zhicheng; Weng, Linhong; Zhou, Yaming; Chen, Zhenxia; Zhao, Dongyuan","Synthesis of a new organically templated zeolite-like zirconogermanate (C4N2H12)[ZrGe4O10F2] with cavansite topologyElectronic supplementary information (ESI) available: tables of crystal data, including atomic coordinates, selected bond lengths and angles, and thermal parameters, and also a SEM image of FDZG-1. See http://www.rsc.org/suppdata/jm/b2/b209801f/","Journal of Materials Chemistry","2003","13","2","308","","10.1039/b209801f","","","0.71073","MoKα","","0.0298","0.0284","","","0.0772","0.078","","","","","","1.171","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204540","3.4762","0.0007","3.4762","0.0007","15.342","0.002","90","","90","","120","","160.55","0.05","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium niobium diselenide","","","- Na0.5 Nb Se2 -","- Na0.498 Nb Se2 -","- Na0.996 Nb2 Se4 -","2","0.0833333","","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Weston, David P.; Wilson, Claire","New metathesis routes to layered dichalcogenides: synthesis, crystal growth and structure of NayNbX2 (y = 0.5, X = S, Se)","Journal of Materials Chemistry","2003","13","2","175","","10.1039/b209828h","","","0.71069","MoKα","","0.023","0.0191","","","0.0474","0.0487","","","","","","1.122","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204541","3.3533","0.0004","3.3533","0.0004","14.547","0.003","90","","90","","120","","141.66","0.04","150","2","150","2","","","","","","","","3","P 63/m m c","-P 6c 2c","194","sodium niobium disulfide","","","- Na0.51 Nb S2 -","- Na0.5 Nb S2 -","- Na Nb2 S4 -","2","0.0833333","","Salyer, Pamela A.; Barker, Marten G.; Blake, Alexander J.; Gregory, Duncan H.; Weston, David P.; Wilson, Claire","New metathesis routes to layered dichalcogenides: synthesis, crystal growth and structure of NayNbX2 (y = 0.5, X = S, Se)","Journal of Materials Chemistry","2003","13","2","175","","10.1039/b209828h","","","0.71069","MoKα","","0.0206","0.0191","","","0.0639","0.065","","","","","","0.983","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204542","10.616","0.002","18.141","0.003","18.628","0.003","90","","103.23","0.02","90","","3492.3","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H37 Ag O2 P2 -","- C41 H37 Ag O2 P2 -","- C164 H148 Ag4 O8 P8 -","4","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.046","0.0245","","0.0646","0.0548","","","","1.045","1.02","1.02","","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204543","12.806","0.005","12.996","0.004","13.056","0.006","66.26","0.03","62.4","0.03","72.79","0.03","1746.6","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H18.5 Ag0.5 O P -","- C20.5 H18.5 Ag0.5 O P -","- C82 H74 Ag2 O4 P4 -","4","2","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.0442","0.0325","","0.1109","0.0993","","","","1.061","1.07","1.07","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204544","12.689","0.003","12.85","0.002","13.351","0.003","65.16","0.01","61.89","0.02","72.21","0.02","1726.7","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 Ag N O2 P2 -","- C39 H32 Ag N O2 P2 -","- C78 H64 Ag2 N2 O4 P4 -","2","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.0365","0.0249","","0.0724","0.0639","","","","0.92","0.892","0.892","","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204545","5.965","0.001","8.956","0.002","10.292","0.002","90","","91.51","0.02","90","","549.63","0.19","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C5 H7 Ag O2 -","- C5 H7 Ag O2 -","- C20 H28 Ag4 O8 -","4","1","","Edwards, Dennis A.; Mahon, Mary F.; Molloy, Kieran C.; Ogrodnik, Virginie","Aerosol-assisted chemical vapour deposition of silver films from adducts of functionalised silver carboxylates","Journal of Materials Chemistry","2003","13","3","563","","10.1039/b210085c","","","0.7093","","","0.04","0.0357","","0.1024","0.0947","","","","1.154","1.159","1.159","","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204553","8.244","0.004","8.244","0.004","8.244","0.004","90","","90","","90","","560.3","0.5","295","","295","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Björk, Helen; Gustafsson, Torbjörn; Thomas, John O.; Lidin, Sven; Petříček, Václav","Long-range ordering during delithiation of LiMn2O4 cathode material","Journal of Materials Chemistry","2003","13","3","585","","10.1039/b210265j","","x-ray","0.71073","MoKα","","0.0307","0.0207","","","0.0256","0.0262","","","","2.26","2.26","2.03","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204554","8.9755","0.0015","16.22","0.003","23.691","0.007","90","","90","","90","","3449","1.3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C36 H44 N4 O10 -","- C36 H44 N4 O10 -","- C144 H176 N16 O40 -","4","0.5","","Neumann, Bernhard; Hegmann, Torsten; Wagner, Christoph; Ashton, Peter R.; Wolf, Raik; Tschierske, Carsten","Liquid crystalline macrocycles containing phenylpyrimidine unitsElectronic supplementary information (ESI) available: the procedures and analytical data for all compounds and a table with selected bond distances and bond angles of the crystal structure of compound C are available as supplementary data. See http://www.rsc.org/suppdata/jm/b2/b210271d/","Journal of Materials Chemistry","2003","13","4","778","","10.1039/b210271d","","","0.71073","MoKα","","0.1691","0.0547","","","0.0914","0.1237","","","","","","0.83","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204556","4.0502","0.0001","11.6459","0.0006","20.9044","0.0011","102.059","0.001","90.274","0.005","91.559","0.005","963.85","0.07","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C56 H40 N4 -","2","1","","Liang, Fushun; Chen, Jiangshan; Cheng, Yanxiang; Wang, Lixiang; Ma, Dongge; Jing, Xiabin; Wang, Fosong","Synthesis, characterization, photoluminescent and electroluminescent properties of new conjugated 2,2?-(arylenedivinylene)bis-8-substituted quinolines","Journal of Materials Chemistry","2003","13","6","1392","","10.1039/b210408c","","","0.71073","MoKα","","0.0733","0.0541","","","0.1584","0.1696","","","","","","1.084","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204557","15.47","0.02","7.797","0.014","18.86","0.03","90","","90","","90","","2275","6","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H10 O4 -","- C13 H10 O4 -","- C104 H80 O32 -","8","1","","Davidson, Louise; Blencowe, Anton; Drew, Michael G. B.; Freebairn, Keith W.; Hayes, Wayne","Synthesis and evaluation of a solid supported molecular tweezer type receptor for cholesterolElectronic supplementary information (ESI) available: synthetic procedures and analytical data for compounds 3‒8. See http://www.rsc.org/suppdata/jm/b2/b210427j/","Journal of Materials Chemistry","2003","13","4","758","","10.1039/b210427j","","","0.71073","MoKα","","0.1766","0.0764","","","0.2277","0.26","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204558","9.3592","0.001","10.577","0.004","24.232","0.003","78.042","0.017","83.862","0.007","76.41","0.014","2276.7","1","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C19 H36 F6 N3 O P -","- C8.5 H16 F3 N1.5 O0.5 P0.5 -","- C34 H64 F12 N6 O2 P2 -","4","4","","Lee, Kwang-Ming; Lee, Yi-Ting; Lin, Ivan J. B.","Supramolecular liquid crystals of amide functionalized imidazolium saltsElectronic supplementary information (ESI) available: IR, proton and carbon NMR data for all compounds. See http://www.rsc.org/suppdata/jm/b2/b210562d/","Journal of Materials Chemistry","2003","13","5","1079","","10.1039/b210562d","","","0.71073","MoKα","","0.1817","0.0958","","","0.2523","0.3117","","","","","","1.011","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204567","10.889","0.003","10.52","0.003","12.412","0.003","90","","115.7","0.02","90","","1281.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- F2 H18 N4 O9 P2 Zr -","- F2 H18 N4 O9 P2 Zr -","- F8 H72 N16 O36 P8 Zr4 -","4","1","","Gatta, Giacomo D.; Masci, Silvia; Vivani, Riccardo","Dimensional reduction in zirconium phosphate; from layers to ribbons to chains","Journal of Materials Chemistry","2003","13","5","1215","","10.1039/b211004k","","","0.71069","MoKα","","0.1019","0.0548","","","0.0821","0.0948","","","","","","1.081","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204568","5.3511","0.0002","9.2466","0.0003","22.6443","0.0007","90","","90","","90","","1120.43","0.07","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- F H13 N3 O8.5 P2 Zr -","- F N3 O8.5 P2 Zr -","- F4 N12 O34 P8 Zr4 -","4","1","","Gatta, Giacomo D.; Masci, Silvia; Vivani, Riccardo","Dimensional reduction in zirconium phosphate; from layers to ribbons to chains","Journal of Materials Chemistry","2003","13","5","1215","","10.1039/b211004k","powder diffraction","x-ray","1.5405","Kα~1~","","","","","","","","0.069","","4.36","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204569","9.4054","0.0002","10.8386","0.0002","14.5913","0.0004","70.143","0.001","73.789","0.001","89.673","0.001","1336.84","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17.5 N0.5 O4 -","- C30 H35 N O8 -","- C60 H70 N2 O16 -","2","1","","Bushby, Richard J.; Boden, Neville; Kilner, Colin A.; Lozman, Owen R.; Lu, Zhibao; Liu, Quanying; Thornton-Pett, Mark A.","Helical geometry and liquid crystalline properties of 2,3,6,7,10,11-hexaalkoxy-1-nitrotriphenylenesElectronic supplementary information (ESI) available: calculation of dipolar interactions, details of syntheses and analytical data, DSC data, and full details of the single-crystal structure factors plus projections along the crystallographic axes. See http://www.rsc.org/suppdata/jm/b2/b211133k/","Journal of Materials Chemistry","2003","13","3","470","","10.1039/b211133k","","","0.71073","MoKα","","0.061","0.0536","","","0.1427","0.1497","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204578","12.3225","0.0011","17.9157","0.0015","13.8165","0.0013","90","","105.553","0.001","90","","2938.5","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cd N2 O8 P2 -","- C10 H12 Cd N2 O8 P2 -","- C80 H96 Cd8 N16 O64 P16 -","8","1","","Lin, Zhi-En; Sun, Yan-Qiong; Zhang, Jie; Wei, Qiao-Hua; Yang, Guo-Yu","Cd(2,2'-bipy)(H2PO4)2: the first cadmium phosphate with an organic amine acting as a ligandElectronic supplementary information (ESI) available: IR spectrum, X-ray powder diffraction patterns (experimental and simulated) and TGA curve for Cd(2,2'-bipy)(H2PO4)2, and table of hydrogen bond lengths and angles. See http://www.rsc.org/suppdata/jm/b2/b211928e/","Journal of Materials Chemistry","2003","13","3","447","","10.1039/b211928e","","","0.71073","MoKα","","0.0809","0.0539","","","0.1064","0.1206","","","","","","1.096","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204579","9.8453","0.0016","16.53","0.003","7.2587","0.0009","90","","96.531","0.011","90","","1173.6","0.3","298.2","","298.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C44 H64 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.0783","0.0445","","","0.1241","0.1335","","","","","","1.016","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204580","9.925","0.002","9.317","0.002","12.972","0.003","90","","107.905","0.004","90","","1141.4","0.4","288","2","288","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C44 H64 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71073","MoKα","","0.0606","0.0479","","","0.1509","0.1588","","","","","","1.051","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204581","13.0654","0.0013","14.4171","0.0019","12.874","0.0017","90","","90","","90","","2425","0.5","298.2","","298.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","3-pyrrolylNN","","","- C11 H16 N3 O2 -","- C11 H16 N3 O2 -","- C88 H128 N24 O16 -","8","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.0674","0.0414","","","0.1172","0.1254","","","","","","1","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204582","12.284","0.004","12.657","0.005","10.953","0.004","90","","111.72","0.02","90","","1582.1","1","298.2","","298.2","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","4-(1'-pyrrolyl)phenylNN","","","- C17 H20 N3 O2 -","- C17 H20 N3 O2 -","- C68 H80 N12 O8 -","4","1","","Jotaro Nakazaki; InGwon Chung; Michio M. Matsushita; Tadashi Sugawara; Ryoji Watanabe; Akira Izuoka; Yuzo Kawada","Design and preparation of pyrrole-based spin-polarized donors","J. Mater. Chem.","2003","13","5","1011","1022","10.1039/b211986b","","","0.71069","MoKα","","0.1775","0.0588","","","0.1097","0.1276","","","","","","0.855","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204583","14.2727","0.0016","14.2727","0.0016","14.2727","0.0016","88.309","0.017","88.309","0.017","88.309","0.017","2903.8","0.6","301","2","301","2","","","","","","","","6","R -3 :R","-P 3*","148","","","","- C44 H8.67 F20 N4 O0.33 Pt -","- C44 H8 F20 N4 O0.333333 Pt -","- C132 H24 F60 N12 O Pt3 -","3","0.5","","Che, Chi-Ming; Hou, Yuan-Jun; Chan, Michael C. W.; Guo, Jianhua; Liu, Yu; Wang, Yue","[meso-Tetrakis(pentafluorophenyl)porphyrinato]platinum(II) as an efficient, oxidation-resistant red phosphor: spectroscopic properties and applications in organic light-emitting diodes","Journal of Materials Chemistry","2003","13","6","1362","1366","10.1039/b212204a","","","0.71073","MoKα","","0.0466","0.0336","","","0.0848","0.0989","","","","","","0.994","","","","has coordinates","297179","2025-01-07","15:13:37",""
"7204587","7.1367","0.0006","10.6154","0.0009","11.0626","0.0009","85.541","0.001","83.15","0.001","70.652","0.001","784.46","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cu2 N6 O18 P2 -","- C24 H28 Cu2 N6 O18 P2 -","- C24 H28 Cu2 N6 O18 P2 -","1","0.5","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic–inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71073","MoKα","","0.0426","0.0347","","","0.0832","0.0865","","","","","","0.95","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204588","7.3914","0.0017","9.863","0.002","10.311","0.002","107.03","0.004","105.119","0.004","98.158","0.004","674.2","0.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H9 Cu N3 O6 P V -","- C10 H9 Cu N3 O6 P V -","- C20 H18 Cu2 N6 O12 P2 V2 -","2","1","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71073","MoKα","","0.1393","0.057","","","0.0888","0.108","","","","","","0.765","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204589","13.9768","0.0016","22.157","0.003","9.1984","0.001","90","","103.165","0.002","90","","2773.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 N2 O5.63 P0.5 V -","- C10 H8 N2 O5.57 P0.5 V -","- C80 H64 N16 O44.56 P4 V8 -","8","1","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71073","MoKα","","0.0863","0.0668","","","0.2009","0.2228","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204590","7.413","0.001","12.9922","0.0005","14.9682","0.0005","87.8","0.1","78.85","0.1","78.09","0.1","1383.9","0.7","","","","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H32 Cu4 N8 O29 P5 V4 -","- C40 H32 Cu4 N8 O29 P5 V4 -","- C40 H32 Cu4 N8 O29 P5 V4 -","1","0.5","","Yanko Moreno; Andrés Vega; Svetlana Ushak; Ricardo Baggio; Octavio Peña; Eric Le Fur; Jean-Yves Pivan; Evgenia Spodine","Magnetic properties of phosphate-bridged copper(II) organic‒inorganic hybrid compounds","J. Mater. Chem.","2003","13","9","2381","2387","10.1039/b212463g","","","0.71069","MoKα","","0.0682","0.0682","","","0.0887","0.0887","","","","0.95","0.95","0.95","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204592","12.725","0.0003","12.8573","0.0001","21.6933","0.0004","90","","90","","90","","3549.22","0.11","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Ga N O5 S4 -","- C34 H36 Ga N O4.99 S3.99 -","- C136 H144 Ga4 N4 O19.96 S15.96 -","4","1","","Deivaraj, Theivanayagam C.; Lin, Ming; Loh, Kian Ping; Yeadon, Mark; Vittal, Jagadese J.","Trialkylammonium salts of [M(SC{O}R)4]‒ (M = Ga3+ and In3+) as precursors for metal sulfide thin films","Journal of Materials Chemistry","2003","13","5","1149","","10.1039/b212856j","","","0.71073","MoKα","","0.1299","0.0691","","","0.1265","0.1482","","","","","","1.033","","","","has coordinates","180376","2020-10-21","18:00:00",""
"7204593","8.703","0.002","13.522","0.001","8.3084","0.0007","96.493","0.009","91.11","0.01","76.89","0.01","946.1","0.2","298.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 I N5 -","- C20 H19 I N5 -","- C40 H38 I2 N10 -","2","1","","Mukai, Kazuo; Jinno, Syunsuke; Shimobe, Yasuo; Azuma, Nagao; Taniguchi, Masateru; Misaki, Yohji; Tanaka, Kazuyoshi; Inoue, Katsuya; Hosokoshi, Yuko","Genuine organic magnetic semiconductors: electrical and magnetic properties of the TCNQ and iodide salts of methylpyridinium-substituted verdazyl radicals","Journal of Materials Chemistry","2003","13","7","1614","","10.1039/b300029j","","","1.5418","CuKα","","","0.0409","","","","0.1265","","","","","","1.383","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204598","7.7805","0.0008","9.2982","0.0011","12.251","0.002","74.53","0.013","83.433","0.013","75.538","0.011","826","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 F6 O6 Ru -","- C12 H8 F6 O6 Ru -","- C24 H16 F12 O12 Ru2 -","2","1","","Lai, Ying-Hui; Chen, Yao-Lun; Chi, Yun; Liu, Chao-Shiuan; Carty, Arthur J.; Peng, Shie-Ming; Lee, Gene-Hsiang","Deposition of Ru and RuO2 thin films employing dicarbonyl bis-diketonate ruthenium complexes as CVD source reagents","Journal of Materials Chemistry","2003","13","8","1999","","10.1039/b300517h","","","0.71073","MoKα","","0.03","0.0267","","0.0756","0.0741","","","","1.089","1.118","1.118","","","","","has coordinates,has disorder","180376","2020-10-21","18:00:00",""
"7204599","9.625","0.008","10.143","0.009","11.18","0.009","103.44","0.08","80.97","0.09","111.88","0.09","982.1","1.6","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H62 Cd2 N2 P4 Se4 -","- C26 H62 Cd2 N2 P4 Se4 -","- C26 H62 Cd2 N2 P4 Se4 -","1","0.5","","Afzaal, Mohammmad; Crouch, David; Malik, Mohammad A.; Motevalli, Majid; O'Brien, Paul; Park, Jin-Ho","Deposition of CdSe thin films using a novel single-source precursor; [MeCd{(SePiPr2)2N}]2","Journal of Materials Chemistry","2003","13","4","639","","10.1039/b300608p","","","0.71073","MoKα","","0.0409","0.0283","","","0.0705","0.0745","","","","","","1.038","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204600","13.4902","0.001","13.4902","0.0009","14.7578","0.0011","90","","90","","120","","2325.9","0.3","150","2","150","2","","","","","","","synthesis as described","6","R -3 m :H","-R 3 2""","166","","","","- C39 H24 F3 N3 O72 Si36 -","- C39 F2.88 N3 O72 Si36 -","- C39 F2.88 N3 O72 Si36 -","1","0.0277778","","Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.","The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA","Journal of Materials Chemistry","2003","13","8","1978","","10.1039/b300728f","","","0.6984","synchrotron","","0.062","0.058","","","0.1658","0.1689","","","","","","1.17","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204601","7.3952","0.0015","14.099","0.003","18.761","0.004","90","","90","","90","","1956.1","0.7","210","2","210","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C20 H24 F4 N4 O72 Si36 -","- C24 H40 F1.6 O72 Si36 -","- C24 H40 F1.6 O72 Si36 -","1","0.125","","Villaescusa, Luis A.; Bull, Ivor; Wheatley, Paul S.; Lightfoot, Philip; Morris, Russell E.","The location of fluoride and organic guests in ?as-made? pure silica zeolites FER and CHA","Journal of Materials Chemistry","2003","13","8","1978","","10.1039/b300728f","","","0.6942","Synchrotron","","0.0539","0.0465","","","0.1281","0.1338","","","","","","1.03","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204605","20.223","0.002","7.0107","0.0005","19.581","0.002","90","","90","","90","","2776.1","0.4","293","2","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H8 Cl O4 S5 -","- C9 H8 Cl O4 S5 -","- C72 H64 Cl8 O32 S40 -","8","1","","Philippe Leriche; Jean-Manuel Raimundo; Mathieu Turbiez; Vincent Monroche; Magali Allain; François-Xavier Sauvage; Jean Roncali; Pierre Frère; Peter J. Skabara","Linearly extended tetrathiafulvalene analogues with fused thiophene units as π-conjugated spacers","J. Mater. Chem.","2003","13","6","1324","1332","10.1039/b301149f","","","0.71073","MoKα","","0.1226","0.0502","","","0.0947","0.1117","","","","","","0.798","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204606","5.1167","","10.4646","","17.6228","","90","","90","","90","","943.599","","293","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Li2 Mg2 Mo3 O12 -","- Li2.001 Mg1.999 Mo3 O12 -","- Li8.004 Mg7.996 Mo12 O48 -","4","0.5","","Sebastian, Litty; Piffard, Y.; Shukla, A. K.; Taulelle, F.; Gopalakrishnan, J.","Synthesis, structure and lithium-ion conductivity of Li2?2xMg2+x(MoO4)3 and Li3M(MoO4)3 (MIII = Cr, Fe)Electronic supplementary information (ESI) available: anisotropic displacement parameters and XRPD data for Li2Mg2(MoO4)3. See http://www.rsc.org/suppdata/jm/b3/b301189e/","Journal of Materials Chemistry","2003","13","7","1797","","10.1039/b301189e","","x-ray","0.71073","MoKα","","0.066","0.0308","","0.0251","0.024","","","","1.7","1.43","1.43","","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7204609","11.937","0.001","10.53","0.001","16.956","0.002","90","","90.32","0.01","90","","2131.3","0.4","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl2 Pd S4 -","- C16 H13 Cl2 Pd S4 -","- C64 H52 Cl8 Pd4 S16 -","4","1","","Mucci, Adele; Parenti, Francesca; Pigani, Laura; Seeber, Renato; Zanardi, Chiara; Pilo, Maria I.; Spano, Nadia; Manassero, Mario","The effect of Pd(ii) coordination on the properties of an alkylsulfanyl substituted polythiophene. Comparison with the corresponding monomer","Journal of Materials Chemistry","2003","13","6","1287","","10.1039/b301932m","","","0.7107","Mo-Kα","","0.046","0.046","","","0.071","","","","1.021","1.021","1.021","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204613","28.324","0.011","13.313","0.005","16.721","0.006","90","","113.7","0.4","90","","5773","18","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","copper(i) complex","","","- C28 H28 B Cu F4 N4 O2 -","- C28 H28 B Cu F4 N4 O2 -","- C224 H224 B8 Cu8 F32 N32 O16 -","8","1","","Laurent Douce; Thanh Hung Diep; Raymond Ziessel; Antoine Skoulios; Michèle Césario","Columnar liquid crystals from wedge-shaped tetrahedral copper(I) complexes","J. Mater. Chem.","2003","13","7","1533","1539","10.1039/b302038j","","","0.7107","MoKα","","0.1141","0.0719","","0.2248","","0.1921","","","1.029","","","1.125","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204614","17.682","0.004","6.0098","0.0012","5.1917","0.001","90","","90","","90","","551.7","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- As Cd H6 N O5 -","- As Cd N O5 -","- As4 Cd4 N4 O20 -","4","0.5","","Christopher D. Johnson; Janet M. S. Skakle; Magnus G. Johnston; Jörg Feldmann; Donald E. Macphee","Hydrothermal synthesis, crystal structure and aqueous stability of two cadmium arsenate phases, CdNH4(HAsO4)OH and Cd5H2(AsO4)4·4H2O","J. Mater. Chem.","2003","13","6","1429","1432","10.1039/b302154h","","","0.71073","MoKα","","0.0505","0.0303","","","0.0586","0.062","","","","","","0.923","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204615","18.382","0.002","9.7192","0.0013","9.9791","0.0013","90","","96.369","0.003","90","","1771.8","0.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- As4 Cd5 H10 O20 -","- As4 Cd5 O20 -","- As16 Cd20 O80 -","4","0.5","","Christopher D. Johnson; Janet M. S. Skakle; Magnus G. Johnston; Jörg Feldmann; Donald E. Macphee","Hydrothermal synthesis, crystal structure and aqueous stability of two cadmium arsenate phases, CdNH4(HAsO4)OH and Cd5H2(AsO4)4·4H2O","J. Mater. Chem.","2003","13","6","1429","1432","10.1039/b302154h","","","0.6928","synchrotron","","0.0401","0.0398","","","0.0984","0.0988","","","","","","1.212","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204630","7.5296","0.0009","6.6592","0.0008","10.1513","0.0012","90","","94.46","0.002","90","","507.46","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","pyridinium trivanadate heptaoxide","","- C5 H6 N O7 V3 -","- C5 H6 N O7 V3 -","- C10 H12 N2 O14 V6 -","2","1","","Lutta, Samuel T.; Chernova, Natasha A.; Zavalij, Peter Y.; Whittingham, M. Stanley","Solvothermal synthesis and characterization of a layered pyridinium vanadate, (C5H6N)V3O7","Journal of Materials Chemistry","2003","13","6","1424","","10.1039/b302534a","","","0.71073","MoKα","","0.0491","0.0406","","","0.0934","0.0984","","","","","","1.018","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204633","19.66","0.005","16.984","0.005","10.086","0.003","90","","104.492","0.005","90","","3260.6","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 In N3 S6 -","- C24 H47 In N3 S6 -","- C96 H188 In4 N12 S24 -","4","1","","Park, Jin-Ho; Afzaal, Mohammad; Kemmler, Michael; O'Brien, Paul; Otway, David J.; Raftery, Jim; Waters, John","The deposition of thin films of CuME2 by CVD techniques (M = In, Ga and E = S, Se)","Journal of Materials Chemistry","2003","13","8","1942","","10.1039/b302896h","","","0.71073","MoKα","","0.108","0.0679","","","0.1623","0.1822","","","","","","1.091","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204635","5.362","0.0011","6.145","0.0012","20.668","0.004","86.23","0.03","88.2","0.03","68.4","0.03","631.8","0.3","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 S14 -","- C18 H14 S14 -","- C18 H14 S14 -","1","0.5","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0588","0.0452","","","0.1055","0.109","","","","","","0.929","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204636","8.5358","0.0017","12.105","0.002","12.197","0.002","67.7","0.03","89.67","0.03","79.61","0.03","1144.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H14 F8 N8 S14 -","- C42 H14 F8 N8 S14 -","- C42 H14 F8 N8 S14 -","1","0.5","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.1295","0.0612","","","0.143","0.193","","","","","","0.91","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204637","7.62","0.0015","13.024","0.003","15.709","0.003","97.76","0.03","96.96","0.03","101.04","0.03","1498.7","0.6","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H15 Cl F6 P S14 -","- C18.5 H14 Cl F6 P S14 -","- C37 H28 Cl2 F12 P2 S28 -","2","1","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0779","0.0427","","","0.0897","0.1145","","","","","","0.955","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204638","7.83","0.0016","13.263","0.003","15.691","0.003","97.26","0.03","99.53","0.03","100.75","0.03","1557.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18.5 H15 As Cl F6 S14 -","- C18.5 H14 As Cl F6 S14 -","- C37 H28 As2 Cl2 F12 S28 -","2","1","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0785","0.0453","","","0.1062","0.1139","","","","","","0.938","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204639","7.5666","0.0015","28.34","0.006","13.239","0.003","90","","104.09","0.03","90","","2753.5","1.1","123","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 B F4 S14 -","- C18 H14 B F4 S14 -","- C72 H56 B4 F16 S56 -","4","1","","Zou, Lei; Xu, Wei; Jia, Chunyang; Zhang, Deqing; Wang, Quanrui; Zhu, Daoben","Cation radical salts of ethylenedisulfanyl-bridged dimeric ethylenedithiotetrathiafulvalene with 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (TCNQF4), PF6?, AsF6?and BF4?: synthesis, structure and conducting properties","Journal of Materials Chemistry","2003","13","7","1646","","10.1039/b303102k","","","0.71073","MoKα","","0.0849","0.0404","","","0.0635","0.0689","","","","","","0.784","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204641","7.4704","0.0004","8.5931","0.0005","9.3","0.0006","114.805","0.002","93.823","0.002","114.385","0.002","472.35","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C2 H7 N O8 Se3 Zn -","- C2 H7 N O8 Se3 Zn -","- C4 H14 N2 O16 Se6 Zn2 -","2","1","","Udayakumar, D.; Rao, C. N. R.","Organically templated three-dimensional open-framework metal selenites with a diamondoid network","Journal of Materials Chemistry","2003","13","7","1635","","10.1039/b303323f","","","0.71073","MoKα","","0.045","0.0416","","0.107","0.1057","","","","1.032","1.086","1.086","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204647","8.692","0.001","7.562","0.001","13.034","0.003","90","","102.53","0.01","90","","836.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,5-bis(2-methoxyphenyl)-3,6-dimethylpyrazine","","- C20 H20 N2 O2 -","- C20 H20 N2 O2 -","- C40 H40 N4 O4 -","2","0.5","","Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce","Phenylene–2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission","J. Mater. Chem.","2003","13","7","1554","1557","10.1039/b303472k","","","0.71073","MoKα","","0.0604","0.048","","","0.136","0.1466","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204648","6.863","0.001","8.088","0.001","10.548","0.002","67.82","0.01","80.11","0.01","80.11","0.01","530.43","0.15","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","2,5-bis(2-methoxyphenyl)-3,6-dimethylpyrazinium bis(tetrafluoroborate) salt","","- C20 H22 B2 F8 N2 O2 -","- C20 H22 B2 F8 N2 O2 -","- C20 H22 B2 F8 N2 O2 -","1","0.5","","Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce","Phenylene‒2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission","J. Mater. Chem.","2003","13","7","1554","1557","10.1039/b303472k","","","0.71073","MoKα","","0.0937","0.0563","","","0.1068","0.1222","","","","","","1.04","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204649","3.803","0.001","23.231","0.007","8.955","0.003","90","","101.21","0.01","90","","776.1","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-bis(6-methoxypyridin-3-yl)-3,6-dimethylpyrazine","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C36 H36 N8 O4 -","2","0.5","","Figen Türksoy; Gregory Hughes; Andrei S. Batsanov; Martin R. Bryce","Phenylene–2,5-dimethylpyrazine co-oligomers: synthesis by Suzuki couplings, X-ray structures of neutral and diprotonated teraryl species and efficient blue emission","J. Mater. Chem.","2003","13","7","1554","1557","10.1039/b303472k","","","0.71073","MoKα","","0.0498","0.0401","","","0.0988","0.1036","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204654","14.6797","0.0006","10.1204","0.0004","16.6015","0.0007","90","","90","","90","","2466.39","0.17","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","methylammonium zinc phosphate","","","- C H6 N O12 P3 Zn4 -","- C H6 N O12 P3 Zn4 -","- C8 H48 N8 O96 P24 Zn32 -","8","1","","Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley","Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/","Journal of Materials Chemistry","2003","13","8","1936","","10.1039/b303910b","","","0.71073","MoKα","","0.0274","0.024","","","0.0542","0.0555","","","","","","1.043","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204655","7.259","0.0019","13.407","0.004","18.031","0.005","90","","90","","90","","1754.8","0.8","296","","296","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","methylammonium zinc phosphate","","","- C2 H12 N2 O16 P4 Zn5 -","- C2 H12 N2 O16 P4 Zn5 -","- C8 H48 N8 O64 P16 Zn20 -","4","1","","Song, Yanning; Zavalij, Peter Y.; Whittingham, M. Stanley","Two novel open-framework zinc phosphates: (CH3NH3)Zn4(PO4)3 and (CH3NH3)2Zn5(PO4)4Electronic supplementary information (ESI) available: tables for atomic coordinates and anisotropic parameters and full list of bond lengths and bond angles. See http://www.rsc.org/suppdata/jm/b3/b303910b/","Journal of Materials Chemistry","2003","13","8","1936","","10.1039/b303910b","","","0.71073","MoKα","","0.0848","0.0774","","","0.1765","0.1805","","","","","","1.095","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204656","5.6139","0.0005","11.0646","0.0012","11.2402","0.0011","92.489","0.008","91.835","0.006","101.208","0.007","683.65","0.12","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","- C30 H44 N2 O4 -","1","0.5","","Van Deun, Rik; Parac-Vogt, Tatjana N.; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen; Guillon, Daniel; Donnio, Bertrand","Liquid-crystalline azines formed by the rare-earth promoted decomposition of hydrazide ?habbe? ligands: structural and thermal properties","Journal of Materials Chemistry","2003","13","7","1639","","10.1039/b303941m","","","1.54178","CuK\α","","0.0779","0.0679","","","0.1847","0.1986","","","","","","0.988","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204657","9.6992","0.0009","12.5318","0.0014","14.6417","0.0015","77.935","0.007","88.098","0.009","71.147","0.008","1645.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H52 Cl4 O12 -","- C82 H52 Cl4 O12 -","- C82 H52 Cl4 O12 -","1","0.5","","Howard M. Colquhoun; Mikhail G. Zolotukhin; Lionel G. Sestiaa; Fabio Aricó; Zhixue Zhu; Philip Hodge; Abderrazak Ben-Haida; David J. Williams","Microfabrication of high-performance aromatic polymers as nanotubes or fibrils by in situ ring-opening polymerisation of macrocyclic precursors","J. Mater. Chem.","2003","13","7","1504","1506","10.1039/b303948j","","","1.54178","CuKα","","0.0644","0.0509","","0.1492","0.1347","","","","1.037","1.063","1.063","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204658","9.461","0.0008","8.3565","0.0007","9.477","0.001","90","","99.908","0.009","90","","738.08","0.12","293","","293","","","","","","","","synthesis described in paper","5","P 1 21/a 1","-P 2yab","14","","ammonium manganese(II) pyrophosphate hydrate","","- H12 Mn3 N2 O16 P4 -","- H12 Mn3 N2 O16 P4 -","- H24 Mn6 N4 O32 P8 -","2","0.5","","Chippindale, Ann M.; Gaslain, Fabrice O. M.; Bond, Andrew D.; Powell, Anthony V.","Synthesis, structure and magnetic characterisation of a new layered ammonium manganese(ii) diphosphate hydrate, (NH4)2[Mn3(P2O7)2(H2O)2]Electronic supplementary information (ESI) available: powder XRD data, atomic coordinates and thermal parameters, IR data, bond valence calculations, TGA. See http://www.rsc.org/suppdata/jm/b3/b304003h/","Journal of Materials Chemistry","2003","13","8","1950","","10.1039/b304003h","","","1.5418","CuKα","","","0.0351","","","","0.0411","","","","","","1.1285","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204672","9.3444","0.0015","16.03","0.003","17.888","0.003","90","","91.768","0.004","90","","2678.2","0.8","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N2 O6 Zr -","- C22 H42 N2 O6 Zr -","- C88 H168 N8 O24 Zr4 -","4","1","","Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana","Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~","Journal of Materials Chemistry","2003","13","9","2177","2184","10.1039/b304419j","","","0.71073","MoKα","","0.0374","0.03","","","0.0777","0.0825","","","","","","1.054","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204673","9.85","0.02","15.4","0.03","18.71","0.03","90","","97.15","0.05","90","","2816","9","213","2","213","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 O8 Zr -","- C22 H40 O8 Zr -","- C88 H160 O32 Zr4 -","4","0.5","","Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana","Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~","Journal of Materials Chemistry","2003","13","9","2177","2184","10.1039/b304419j","","","0.71073","MoKα","","0.0736","0.0638","","","0.1577","0.1655","","","","","","1.131","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204674","10.977","0.003","13.192","0.004","16.218","0.005","74.74","0.02","89.86","0.02","89.86","0.03","2265.7","1.2","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H68 O12 Zr2 -","- C34 H68 O12 Zr2 -","- C68 H136 O24 Zr4 -","2","1","","Patil, Urmila; Winter, Manuela; Becker, Hans-Werner; Devi, Anjana","Synthesis and structure of mixed isopropoxide–β-ketoester and β-ketoamide zirconium complexes: Potential precursors for MOCVD of ZrO~2~","Journal of Materials Chemistry","2003","13","9","2177","2184","10.1039/b304419j","","","0.71073","MoKα","","0.1133","0.0693","","","0.189","0.2415","","","","","","1.037","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204681","15.0502","0.0006","15.0545","0.0006","21.5114","0.0004","90","","89.962","0.004","90","","4873.9","0.3","","","","","","","","","","","","3","P 1 c 1","P -2yc","7","","","","?","- Bi64 O224 Sn64 -","- Bi64 O224 Sn64 -","","","","Evans, Ivana Radosavljevic; Howard, Judith A. K.; Evans, John S. O.","?-Bi2Sn2O7 ? a 176 atom crystal structure from powder diffraction data","Journal of Materials Chemistry","2003","13","9","2098","","10.1039/b305211g","","","","","","","","","","","","","","","","","","","","","has coordinates","180377","2020-10-21","18:00:00",""
"7204693","5.7222","0.0005","4.9314","0.0003","6.8872","0.0004","90","","98.786","0.004","90","","192.07","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","zn2(oh)bo3","","","- B H O4 Zn2 -","- B O4 Zn2 -","- B2 O8 Zn4 -","2","1","","Yu, Zhen-Tao; Xu, Jin-Jie; Jiang, Yu-Sheng; Shi, Zhan; Guo, Ying; Wang, De-Jun; Chen, Jie-Sheng","Photoluminescent and photovoltaic properties observed in a zinc borate Zn2(OH)BO3Electronic supplementary information (ESI) available: Crystallographic details and ORTEP plot of the asymmetric unit of Zn2(OH)BO3. XPS and IR spectra and DT?TGA curves for Zn2(OH)BO3. See http://www.rsc.org/suppdata/jm/b3/b305968e/","Journal of Materials Chemistry","2003","13","9","2227","","10.1039/b305968e","","","0.71073","MoKα","","0.029","0.0287","","","0.0714","0.0716","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204696","11.3962","0.0001","11.9752","0.0001","28.0596","0.0004","81.8236","0.0005","86.7661","0.0004","86.6659","0.0008","3779.51","0.07","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H54 Bi N3 Se6 -","- C27 H54 Bi N3 Se6 -","- C108 H216 Bi4 N12 Se24 -","4","2","","Monteiro, Olinda C.; Trindade, Tito; Paz, Filipe A. Almeida; Klinowski, Jacek; Waters, John; O'Brien, Paul","Aerosol-assisted metallo-organic chemical vapour deposition of Bi2Se3 films using single-molecule precursors. The crystal structure of bismuth(iii) dibutyldiselenocarbamate","Journal of Materials Chemistry","2003","13","12","3006","","10.1039/b306662m","","","0.71073","MoKα","","0.0867","0.0585","","","0.1305","0.1477","","","","","","1.035","","","","has coordinates,has disorder","301863","2025-08-22","13:06:55",""
"7204711","6.592","0.002","6.592","0.002","6.592","0.002","90","","90","","90","","286.45","0.15","293","2","293","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag2 Li Sn -","- Ag2 Li Sn -","- Ag8 Li4 Sn4 -","4","0.0208333","","Zhiyun Wu; Rolf-Dieter Hoffmann; Dirk Johrendt; Bernd D. Mosel; Hellmut Eckert; Rainer Pöttgen","Electronic structure, physical properties and ionic mobility of LiAg2Sn","J. Mater. Chem.","2003","13","10","2561","2565","10.1039/b306855m","","","0.71073","MoKα","","0.0158","0.0154","","","0.0445","0.045","","","","","","1.203","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204712","8.457","0.002","18.553","0.004","13.006","0.003","90","","90","","90","","2040.7","0.8","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C21 H18 O6 S3 -","- C21 H18 O6 S3 -","- C84 H72 O24 S12 -","4","0.5","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.0622","0.053","","","0.1679","0.1758","","","","","","1.423","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204713","9.913","0.002","10.263","0.002","10.766","0.002","94.82","0.03","111.22","0.03","107.38","0.03","951.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 O6 S2 -","- C21 H18 O6 S2 -","- C42 H36 O12 S4 -","2","1","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.0769","0.0459","","","0.1183","0.1416","","","","","","0.879","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204714","7.9335","0.0016","11.415","0.002","14.062","0.003","76.79","0.03","83.82","0.03","89.09","0.03","1232.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 N2 O5 S3 -","- C27 H20 N2 O5 S3 -","- C54 H40 N4 O10 S6 -","2","1","","Tahir Khan; Joseph J. W. McDouall; Eric J. L. McInnes; Peter J. Skabara; Pierre Frère; Simon J. Coles; Michael B. Hursthouse","A combined substituent and supramolecular approach for improving the electron donor properties of 1,3-dithiole-2-thione derivatives","J. Mater. Chem.","2003","13","10","2490","2498","10.1039/b307025e","","","0.71073","MoKα","","0.1334","0.0627","","","0.124","0.1488","","","","","","0.965","","","","has coordinates","301863","2025-08-22","13:06:55",""
"7204726","7.4164","0.0002","11.0544","0.0003","10.6791","0.0004","90","","105.361","0.001","90","","844.24","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 Br2 S3 -","- C5 H2 Br2 S3 -","- C20 H8 Br8 S12 -","4","1","","Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/","Journal of Materials Chemistry","2003","13","9","2075","","10.1039/b307575n","","","0.71073","MoKα","","0.0615","0.0572","","","0.1455","0.1516","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204727","13.1863","0.0004","5.1102","0.0002","14.3454","0.0004","90","","105.854","0.002","90","","929.89","0.05","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H4 Br2 S3 -","- C6 H4 Br2 S3 -","- C24 H16 Br8 S12 -","4","1","","Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/","Journal of Materials Chemistry","2003","13","9","2075","","10.1039/b307575n","","","0.71073","MoKα","","0.0442","0.0402","","","0.1034","0.1064","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204728","8.7028","0.0002","9.1688","0.0003","15.066","0.0005","75.457","0.001","89.666","0.002","64.081","0.002","1039.13","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H6 Br2 S3 -","- C7 H6 Br2 S3 -","- C28 H24 Br8 S12 -","4","2","","Spencer, Howard J.; Berridge, Rory; Crouch, David J.; Wright, Shaun P.; Giles, Mark; McCulloch, Iain; Coles, Simon J.; Hursthouse, Michael B.; Skabara, Peter J.","Further evidence for spontaneous solid-state polymerisation reactions in 2,5-dibromothiophene derivativesElectronic supplementary information (ESI) available: X-ray data for DBMDTT, DBEDTT and DBPDTT. See http://www.rsc.org/suppdata/jm/b3/b307575n/","Journal of Materials Chemistry","2003","13","9","2075","","10.1039/b307575n","","","0.71073","MoKα","","0.0587","0.052","","","0.1334","0.1391","","","","","","1.019","","","","has coordinates","180378","2020-10-21","18:00:00",""
"7204906","20.9371","0.0005","21.3218","0.0004","8.1858","0.0002","90","","104.179","0.001","90","","3542.95","0.14","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 O7 Y -","- C21 H14 O7 Y -","- C168 H112 O56 Y8 -","8","1","","Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan","Observation of tancoite-like chains in a one-dimensional metal?organic polymer","Journal of Materials Chemistry","2003","13","12","2937","","10.1039/b310778g","","","0.71073","MoKα","","0.0709","0.0378","","","0.0702","0.0816","","","","","","1.024","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7205044","20.9868","0.0006","21.5521","0.0007","8.3162","0.0003","90","","103.95","0.001","90","","3650.6","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Nd O7 -","- C21 H14 Nd O7 -","- C168 H112 Nd8 O56 -","8","1","","Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan","Observation of tancoite-like chains in a one-dimensional metal?organic polymer","Journal of Materials Chemistry","2003","13","12","2937","","10.1039/b310778g","","","0.71073","MoKα","","0.0284","0.0216","","","0.0524","0.0546","","","","","","0.969","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7205045","20.9794","0.0007","21.3829","0.0007","8.2116","0.0003","90","","104.089","0.001","90","","3572.9","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H14 Dy O7 -","- C21 H14 Dy O7 -","- C168 H112 Dy8 O56 -","8","1","","Thirumurugan, A.; Pati, Swapan K.; Green, Mark A.; Natarajan, Srinivasan","Observation of tancoite-like chains in a one-dimensional metal?organic polymer","Journal of Materials Chemistry","2003","13","12","2937","","10.1039/b310778g","","","0.71073","MoKα","","0.0315","0.0242","","","0.0601","0.0631","","","","","","1.049","","","","has coordinates","180381","2020-10-21","18:00:00",""
"7222309","3.82665","","3.82665","","11.5341","","90","","90","","90","","168.897","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Ru Sr2 Ho Cu2 O8","","- Cu2 Ho O8 Ru Sr2 -","- Cu2 Ho O8 Ru Sr2 -","- Cu2 Ho O8 Ru Sr2 -","1","0.0625","","Aguirre, M.H.; Ruiz-Bustos, R.; Alario-Franco, M.A.","Crystal structure and microdomain texture in Ru Sr2 Ho Cu2 O8","Journal of Materials Chemistry","2003","13","","1156","1160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222311","3.9657","","3.9657","","3.9657","","90","","90","","90","","62.368","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Sr (Fe0.45 Ga0.05 Ta0.5) O3","","- Fe0.45 Ga0.05 O3 Sr Ta0.5 -","- Fe0.45 Ga0.05 O3 Sr Ta0.5 -","- Fe0.45 Ga0.05 O3 Sr Ta0.5 -","1","0.0208333","","Cussen, E.J.; Battle, P.D.","The influence of structural disorder on the magnetic properties of Sr2 Fe1-x Gax Ta O6 (0 <= x <= 1)","Journal of Materials Chemistry","2003","13","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222312","7.89232","","7.89232","","7.89232","","90","","90","","90","","491.602","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 (Ga Ta O6)","","- Ga O6 Sr2 Ta -","- Ga O6 Sr2 Ta -","- Ga4 O24 Sr8 Ta4 -","4","0.0208333","","Cussen, E.J.; Battle, P.D.","The influence of structural disorder on the magnetic properties of Sr2 Fe1-x Gax Ta O6 (0 <= x <= 1)","Journal of Materials Chemistry","2003","13","","1210","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222314","6.3881","","6.3881","","16.608","","90","","90","","90","","677.736","","","","","","","","","","","","","6","I 41","I 4bw","80","","V2 ((N H3) C2 H4 (N H2)) (H P O4)4 (H2 O)","","- C2 H15 N2 O17 P4 V2 -","- C2 N2 O17 P4 V2 -","- C4 N4 O34 P8 V4 -","2","0.25","","Calin, N.; Serre, C.; Sevov, S.C.","V(III) V(IV) (H P O4)4 * enH * (H2 O): a mixed-valence vanadium phosphate with an open framework","Journal of Materials Chemistry","2003","13","","531","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","158812","2020-10-21","18:00:00",""
"7222336","5.71167","","5.71167","","14.0768","","90","","90","","120","","397.705","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ir0.2 Fe0.8) O2.932","","- Ba Fe0.8 Ir0.2 O2.932 -","- Ba Fe0.8 Ir0.2 O2.932 -","- Ba6 Fe4.8 Ir1.2 O17.592 -","6","0.25","","Jordan, N.A.; Battle, P.D.; Kilcoyne, S.; Sloan, J.; Manuel, P.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222337","5.74145","","5.74145","","14.2308","","90","","90","","120","","406.259","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba (Ir0.575 Fe0.425 O3)","","- Ba Fe0.425 Ir0.575 O3 -","- Ba Fe0.425 Ir0.575 O3 -","- Ba6 Fe2.55 Ir3.45 O18 -","6","0.25","","Jordan, N.A.; Battle, P.D.; Manuel, P.; Sloan, J.; Kilcoyne, S.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222338","5.73047","","5.73047","","35.5495","","90","","90","","120","","1010.98","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.27 Fe0.73 O2.95)","","- Ba Fe0.73 Ir0.27 O2.95 -","- Ba Fe0.7296 Ir0.2704 O2.9508 -","- Ba15 Fe10.944 Ir4.056 O44.262 -","15","0.416667","","Jordan, N.A.; Battle, P.D.; Sloan, J.; Kilcoyne, S.; Manuel, P.","Structural chemistry and magnetic properties of 6H and 15R hexagonal perovskites Ba Irx Fe1-x O3-d","Journal of Materials Chemistry","2003","13","","2617","2625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222339","5.69926","","5.69926","","21.2778","","90","","90","","120","","598.542","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.3 Mn0.7 O3)","","- Ba Ir0.3 Mn0.7 O3 -","- Ba Ir0.3 Mn0.7 O3 -","- Ba9 Ir2.7 Mn6.3 O27 -","9","0.25","","Jordan, N.A.; Battle, P.D.","Structural chemistry and magnetic properties of hexagonal perovskites Ba Irx Mn1-x O3 , x = 0.3, 0.4, 0.5","Journal of Materials Chemistry","2003","13","","2220","2226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222340","5.71037","","5.71037","","21.4005","","90","","90","","120","","604.342","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.4 Mn0.6 O3)","","- Ba Ir0.4 Mn0.6 O3 -","- Ba Ir0.399667 Mn0.600333 O3 -","- Ba9 Ir3.597 Mn5.403 O27 -","9","0.25","","Jordan, N.A.; Battle, P.D.","Structural chemistry and magnetic properties of hexagonal perovskites Ba Irx Mn1-x O3 , x = 0.3, 0.4, 0.5","Journal of Materials Chemistry","2003","13","","2220","2226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222341","5.72021","","5.72021","","21.5196","","90","","90","","120","","609.802","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","Ba (Ir0.5 Mn0.5 O3)","","- Ba Ir0.5 Mn0.5 O3 -","- Ba Ir0.5 Mn0.5 O3 -","- Ba9 Ir4.5 Mn4.5 O27 -","9","0.25","","Jordan, N.A.; Battle, P.D.","Structural chemistry and magnetic properties of hexagonal perovskites Ba Irx Mn1-x O3 , x = 0.3, 0.4, 0.5","Journal of Materials Chemistry","2003","13","","2220","2226","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222342","5.5662","","7.5446","","5.232","","90","","90","","90","","219.717","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb V O3","","- O3 V Yb -","- O3 V Yb -","- O12 V4 Yb4 -","4","0.5","","Munoz, A.; Alonso, J.A.; Casais, M.T.; Martinez-Lope, M.J.; Martinez, J.L.; Fernandez-Diaz, M.T.","Structural and magnetic transition in Yb V O3: a neutron diffraction study","Journal of Materials Chemistry","2003","13","","1234","1240","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222388","10.382","","10.382","","10.382","","90","","90","","90","","1119.03","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Pb2 (Fe Re O6.1)","","- Fe O6.1 Pb2 Re -","- Fe O6.1 Pb2 Re -","- Fe8 O48.8 Pb16 Re8 -","8","0.0416667","","Ramesha, K.; Eichhorn, B.; Sebastian, L.; Gopalakrishnan, J.","Pb2 Fe Re O6: new defect pyrochlore oxide with a geometrically frustrated Fe/Re sublattice","Journal of Materials Chemistry","2003","13","","2011","2014","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222391","5.997","","5.997","","9.659","","90","","90","","120","","300.837","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Sr Y (Si4 N7)","","- N7 Si4 Sr Y -","- N7 Si4 Sr Y -","- N14 Si8 Sr2 Y2 -","2","0.166667","","Fang, C.M.; Li, Y.Q.; Hintzen, H.T.; de With, G.","Crystal and electronic structure of the novel nitrides M Y Si4 N7 (M= Sr, Ba) with peculiar N Si4 coordination","Journal of Materials Chemistry","2003","13","","1480","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222392","6.021","","6.021","","9.803","","90","","90","","120","","307.77","","","","","","","","","","","","","4","P 63 m c","P 6c -2c","186","","Ba Y (Si4 N7)","","- Ba N7 Si4 Y -","- Ba N7 Si4 Y -","- Ba2 N14 Si8 Y2 -","2","0.166667","","Fang, C.M.; de With, G.; Li, Y.Q.; Hintzen, H.T.","Crystal and electronic structure of the novel nitrides M Y Si4 N7 (M= Sr, Ba) with peculiar N Si4 coordination","Journal of Materials Chemistry","2003","13","","1480","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222393","3.86107","","3.86107","","12.42856","","90","","90","","90","","185.283","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","(Sr1.2 Nd0.8) (Mn0.6 Rh0.4) O4","","- Mn0.6 Nd0.8 O4 Rh0.4 Sr1.2 -","- Mn0.6 Nd0.8 O4 Rh0.4 Sr1.2 -","- Mn1.2 Nd1.6 O8 Rh0.8 Sr2.4 -","2","0.0625","","Gallon, D.J.; Battle, P.D.; Rosseinsky, M.J.; Blundell, S.J.; Coldea, A.I.; Steer, C.","Synthesis and characterization of Sr1.2 Nd0.8 Mn0.6 Rh0.4 O4","Journal of Materials Chemistry","2003","13","","1166","1172","","","","","","","","","","","","","","","","","","","","","","has coordinates","159315","2020-10-21","18:00:00",""
"7222394","10.227","","6.0048","","4.6918","","90","","90","","90","","288.129","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Garcia-Moreno, O.; Gallardo Amores, J.M.; Alvarez-Vega, M.; Sanjuan, M.L.; Garcia-Jaca, J.; Garcia-Alvarado, F.; Amador, U.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222395","5.523","","8.2565","","6.1583","","90","","90","","90","","280.822","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Fe (P O4)","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Garcia-Alvarado, F.; Alvarez-Vega, M.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Amador, U.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222396","5.358","","8.1272","","6.1241","","90","","90","","90","","266.677","","","","","","","","","","","","","4","C m c m","-C 2c 2","63","","Li Ni (P O4)","","- Li Ni O4 P -","- Li Ni O4 P -","- Li4 Ni4 O16 P4 -","4","0.25","","Garcia-Moreno, O.; Alvarez-Vega, M.; Amador, U.; Garcia-Alvarado, F.; Garcia-Jaca, J.; Gallardo Amores, J.M.; Sanjuan, M.L.","Influence of the structure on the electrochemical performance of lithium transition metal phosphates as cathodic materials in rechargeable lithium batteries: a new high-pressure form of Li M P O4 (M = Fe and Ni)","Journal of Materials Chemistry","2001","13","","1570","1576","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222412","5.1057","","5.8545","","5.1062","","90","","110.039","","90","","143.391","","","","","","","","","","","","","3","P 1 2/a 1","-P 2ya","13","","Li2.81 Ru0.04 (Ru O4)","","- Li2.81 O4 Ru1.04 -","- Li2.808 O4 Ru1.039 -","- Li5.616 O8 Ru2.078 -","2","0.5","","Alexander, A.; Grey, C.P.; Burley, J.C.; Battle, P.D.; Gallon, D.J.; Kim Sang-Hwan","Structural and magnetic properties of Li3 Ru O4","Journal of Materials Chemistry","2003","13","","2612","2616","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222413","8.2028","","8.2028","","8.2028","","90","","90","","90","","551.933","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Fe8 (Be Si O4)6 S2","","- Be6 Fe8 O24 S2 Si6 -","- Be6 Fe8 O24 S2 Si6 -","- Be6 Fe8 O24 S2 Si6 -","1","0.0416667","","Armstrong, J.A.; Dann, S.E.; Neumann, K.; Marco, J.F.","Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te)","Journal of Materials Chemistry","2003","13","","1229","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","159779","2020-10-21","18:00:00",""
"7222414","8.2838","","8.2838","","8.2838","","90","","90","","90","","568.445","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Fe8 (Be Si O4)6 Se2","","- Be6 Fe8 O24 Se2 Si6 -","- Be6 Fe8 O24 Se2 Si6 -","- Be6 Fe8 O24 Se2 Si6 -","1","0.0416667","","Armstrong, J.A.; Dann, S.E.; Marco, J.F.; Neumann, K.","Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te)","Journal of Materials Chemistry","2003","13","","1229","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","159783","2020-10-21","18:00:00",""
"7222415","8.3685","","8.3685","","8.3685","","90","","90","","90","","586.061","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Fe8 (Be Si O4)6 Te2","","- Be6 Fe8 O24 Si6 Te2 -","- Be6 Fe8 O24 Si6 Te2 -","- Be6 Fe8 O24 Si6 Te2 -","1","0.0416667","","Armstrong, J.A.; Dann, S.E.; Neumann, K.; Marco, J.F.","Synthesis, structure and magnetic behaviour of the danalite family of minerals, Fe8 (Be Si O4)6 X2 (X = S, Se, Te)","Journal of Materials Chemistry","2003","13","","1229","1233","","","","","","","","","","","","","","","","","","","","","","has coordinates","159787","2020-10-21","18:00:00",""
"7222433","5.75961","","5.7787","","8.14843","","90","","90.325","","90","","271.2","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Sr2 Y (Ru0.85 Cu0.15 O6)","","- Cu0.15 O6 Ru0.85 Sr2 Y -","- Cu0.15 O6 Ru0.85 Sr2 Y -","- Cu0.3 O12 Ru1.7 Sr4 Y2 -","2","0.5","","Parkinson, N.G.; Wu Mawkuen; Hatton, P.D.; Howard, J.A.K.; Ritter, C.; Chien Fan, Z.","Crystal and magnetic structures of A2 Y Ru1-x Cux O6 with A = Sr, Ba and x = 0.05 to 0.15","Journal of Materials Chemistry","2003","13","","1468","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222434","8.31696","","8.31696","","8.31696","","90","","90","","90","","575.299","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Ba2 Y (Ru0.9 Cu0.1 O6)","","- Ba2 Cu0.1 O6 Ru0.9 Y -","- Ba2 Cu0.1 O6 Ru0.9 Y -","- Ba8 Cu0.4 O24 Ru3.6 Y4 -","4","0.0208333","","Parkinson, N.G.; Hatton, P.D.; Howard, J.A.K.; Chien Fan, Z.; Ritter, C.; Wu Mawkuen","Crystal and magnetic structures of A2 Y Ru1-x Cux O6 with A = Sr, Ba and x = 0.05 to 0.15","Journal of Materials Chemistry","2003","13","","1468","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222435","2.88467","","2.88467","","14.25943","","90","","90","","120","","102.76","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.9312 Ni0.0688) (Li0.0688 Ni0.6312 Mn0.3) O2","","- Li Mn0.3 Ni0.7 O2 -","- Li Mn0.3 Ni0.7 O2 -","- Li3 Mn0.9 Ni2.1 O6 -","3","0.0833333","","Kobayashi, H.; Sakaebe, H.; Kageyama, H.; Tatsumi, K.; Arachi, Y.; Kamiyama, T.","Changes in the structure and physical properties of the solid solution Li Ni1-x Mnx O2 with variation in its composition","Journal of Materials Chemistry","2003","13","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222436","2.89166","","2.89166","","14.28997","","90","","90","","120","","103.48","","","","","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","(Li0.9034 Ni0.0966) (Li0.0966 Ni0.5034 Mn0.4) O2","","- Li Mn0.4 Ni0.6 O2 -","- Li Mn0.4 Ni0.6 O2 -","- Li3 Mn1.2 Ni1.8 O6 -","3","0.0833333","","Kobayashi, H.; Kageyama, H.; Sakaebe, H.; Tatsumi, K.; Arachi, Y.; Kamiyama, T.","Changes in the structure and physical properties of the solid solution Li Ni1-x Mnx O2 with variation in its composition","Journal of Materials Chemistry","2003","13","","590","595","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""