# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:55:10+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Materials Chemistry') AND volume = 16 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
"7203103","13.3247","0.0011","16.22","0.0014","17.2825","0.0014","83.458","0.005","86.262","0.007","84.888","0.007","3690.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H58 Hf N2 O8 -","- C30 H58 Hf N2 O8 -","- C120 H232 Hf4 N8 O32 -","4","2","","Milanov, A.; Bhakta, R.; Thomas, R.; Ehrhart, P.; Winter, M.; Waser, R.; Devi, A.","Mixed amide‒malonate compound of hafnium as a novel monomeric precursor for MOCVD of HfO2 thin films","Journal of Materials Chemistry","2006","16","5","437","","10.1039/b509380e","","","0.71073","MoKα","","0.0716","0.0525","","","0.1344","0.1506","","","","","","0.975","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203104","36.062","0.002","9.1053","0.0003","4.6794","0.0003","90","","90","","90","","1536.51","0.14","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","octylsemicarbazid","ethyl2-[(octylamino)carbonyl]hydrazinecarboxylate","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","1","","Deindörfer, Pia; Geiger, Thomas; Schollmeyer, Dieter; Ye, Jian Hui; Zentel, Rudolf","Semicarbazides as gel forming agents for common solvents and liquid crystals","Journal of Materials Chemistry","2006","16","4","351","","10.1039/b510474b","","","1.54178","CuKα","","0.0628","0.0487","","","0.1284","0.1378","","","","","","1.026","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7203105","19.5706","0.0003","20.7246","0.0005","14.1497","0.0003","90","","118.309","0.001","90","","5052.65","0.19","293","2","183","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cl3 Mn2 N15 O12 -","- C42 H42 Cl3 Mn2 N15 O12 -","- C168 H168 Cl12 Mn8 N60 O48 -","4","0.5","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.1684","0.0877","","","0.2214","0.2506","","","","","","0.876","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203106","9.4938","0.0001","16.1284","0.0002","12.8164","0.0001","90","","94.5494","0.0002","90","","1956.26","0.04","293","2","183","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F12 Mn2 N14 P2 -","- C30 H32 F12 Mn2 N14 P2 -","- C60 H64 F24 Mn4 N28 P4 -","2","0.5","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0685","0.0453","","","0.098","0.1036","","","","","","0.927","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203107","12.5606","0.0006","17.25","0.0008","18.1617","0.0009","90","","90","","90","","3935.1","0.3","153","2","153","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C16 H18 Cl Mn N7 O4 -","- C16 H18 Cl Mn N7 O4 -","- C128 H144 Cl8 Mn8 N56 O32 -","8","1","","Karmakar, Tapan K.; Aromí, Guillem; Ghosh, Barindra K.; Usman, A.; Fun, Hoong-Kun; Mallah, Talal; Behrens, U.; Solans, Xavier; Chandra, Swapan K.","Unexpected diversity and novel features within a family of new azide-bridged MnII complexes of pyridyl/imine ligands","Journal of Materials Chemistry","2006","16","3","278","","10.1039/b510701f","","","0.71073","MoKα","","0.0849","0.0585","","","0.1502","0.1637","","","","","","1.025","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203110","16.029","0.003","23.026","0.004","7.003","0.004","90","0","103.96","0.03","90","0","2508.4","1.6","295","2","","","","","","","","","Local laboratory","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 F6 O4 P S6 -","- C20 H16 F6 O4 P S6 -","- C80 H64 F24 O16 P4 S24 -","4","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","","0.052","","","0.06","","","","","2.872","2.872","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203111","19.599","0.005","10.953","0.003","10.555","0.003","90","","101.11","0.02","90","","2223.4","1.1","295","2","295","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","(TP-EDOT)3Sb2F11(benzene)","","","- C36 H30 F11 O6 S9 Sb2 -","- C36 H22 F11 O6 S9 Sb2 -","- C72 H44 F22 O12 S18 Sb4 -","2","0.5","","Yamochi, Hideki; Hagiwara, Jun; Soeda, Masaya; Saito, Gunzi","Synthesis and charge-transfer complexes of a new donor molecule, TP-EDOT","Journal of Materials Chemistry","2006","16","6","550","","10.1039/b511512d","","","0.71073","MoKα","","0.1034","0.0681","","","0.1622","0.1749","","","","","","1.114","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203118","26.823","0.006","7.876","0.002","13.259","0.003","90","","95.994","0.006","90","","2785.8","1.1","293","","293","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Cl I4 O4 S4 Se4 -","- C16 H8 Cl I4 O4 S4 Se4 -","- C64 H32 Cl4 I16 O16 S16 Se16 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0643","0.0501","","","0.1131","0.1194","","","","","","1.053","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203119","7.8146","0.0014","30.306","0.005","13.253","0.002","90","","90","","90","","3138.7","0.9","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Br I4 O2 S12 -","- C16 H8 Br I4 O2 S12 -","- C64 H32 Br4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0752","0.0612","","","0.1787","0.188","","","","","","1.041","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203120","7.876","0.003","14.217","0.005","30.851","0.011","90","","95.721","0.007","90","","3437","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Cl3 I4 S4 Se8 -","- C17 H10 Cl3 I4 S4 Se8 -","- C68 H40 Cl12 I16 S16 Se32 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1525","0.1135","","","0.2782","0.3006","","","","","","1.1","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203121","7.834","0.003","14.257","0.005","30.885","0.009","90","","95.789","0.007","90","","3432","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H10 Br Cl2 I4 S4 Se8 -","- C17 H10 Br Cl2 I4 S4 Se8 -","- C68 H40 Br4 Cl8 I16 S16 Se32 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1015","0.0544","","","0.1004","0.1126","","","","","","0.89","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203122","7.5692","0.0012","13.544","0.002","13.781","0.002","91.385","0.004","101.128","0.003","104.257","0.003","1339.7","0.4","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Cl I4 O4 S8 -","- C16 H8 Cl I4 O4 S8 -","- C32 H16 Cl2 I8 O8 S16 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0506","0.0467","","","0.1124","0.115","","","","","","1.166","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203123","7.6511","0.0016","13.7","0.003","14.006","0.003","90.804","0.005","101.885","0.004","104.209","0.004","1389.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H8 Br I4 O4 S8 -","- C16 H8 Br I4 O4 S8 -","- C32 H16 Br2 I8 O8 S16 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0547","0.0449","","","0.111","0.1166","","","","","","1.065","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203124","7.6396","0.0019","13.416","0.003","14.049","0.003","91.468","0.006","100.217","0.005","105.839","0.006","1359.1","0.5","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Cl I4 O4 S4 Se4 -","- C16 H8 Cl I4 O4 S4 Se4 -","- C32 H16 Cl2 I8 O8 S8 Se8 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0908","0.0658","","","0.1573","0.1699","","","","","","0.967","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203125","7.709","0.002","13.546","0.004","14.219","0.004","90.866","0.007","100.943","0.006","105.857","0.006","1398.8","0.7","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H8 Br I4 O4 S4 Se4 -","- C16 H8 Br I4 O4 S4 Se4 -","- C32 H16 Br2 I8 O8 S8 Se8 -","2","1","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.1163","0.0736","","","0.1441","0.1638","","","","","","0.979","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203126","7.6827","0.0011","30.305","0.004","13.1946","0.0019","90","","90","","90","","3072","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C16 H12 Cl I4 O2 S12 -","- C16 H8 Cl I4 O2 S12 -","- C64 H32 Cl4 I16 O8 S48 -","4","0.5","","Imakubo, Tatsuro; Shirahata, Takashi; Hervé, Katel; Ouahab, Lahcène","Supramolecular organic conductors based on diiodo-TTFs and spherical halide ion X‒(X = Cl, Br)","Journal of Materials Chemistry","2006","16","2","162","","10.1039/b512036e","","","0.71073","MoKα","","0.0485","0.0379","","","0.0914","0.0958","","","","","","1","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203134","23.4804","0.0013","11.7367","0.0007","7.365","0.0004","90","","90","","90","","2029.7","0.2","273","2","273","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","2,4,6-Tris(benzyloxy)-1,3,5-triazine","","- C24 H21 N3 O3 -","- C24 H21 N3 O3 -","- C96 H84 N12 O12 -","4","1","","Srinivas, K.; Sitha, Sanyasi; Rao, V. Jayathirtha; Bhanuprakash, K.; Ravikumar, K.","NLO Activity in some non-conjugated 3D triazine derivatives: a non-centrosymmetric crystal through conformational flexibility","Journal of Materials Chemistry","2006","16","5","496","","10.1039/b512362c","","","0.71073","MoKα","","0.0529","0.0483","","","0.115","0.1177","","","","","","1.139","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203135","9.9509","0.0002","25.1959","0.0005","9.0316","0.0002","90","","90","","90","","2264.42","0.08","100","0.1","100","0.1","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C52 H36 Cl4 N4 O S2 -","- C52 H36 Cl4 N4 O S2 -","- C104 H72 Cl8 N8 O2 S4 -","2","0.5","","Huang, Ping-Hsin; Shen, Jiun-Yi; Pu, Shin-Chien; Wen, Yuh-Sheng; Lin, Jiann T.; Chou, Pi-Tai; Yeh, Ming-Chang P.","Synthesis and characterization of new fluorescent two-photon absorption chromophores","Journal of Materials Chemistry","2006","16","9","850","","10.1039/b512524c","","","0.71073","MoKα","","0.0551","0.0464","","","0.1286","0.1349","","","","","","1.11","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203145","9.617","0.003","13.895","0.003","21.695","0.006","87.83","0.011","84.549","0.009","72.903","0.01","2758.3","1.3","153","2","173","2","","","","","","","","3","P -1","-P 1","2","","Dodecithiophene","","- C120 H170 S12 -","- C120 H170 S12 -","- C120 H170 S12 -","1","0.5","","Azumi, Reiko; Mena-Osteritz, Elena; Boese, Roland; Benet-Buchholz, Jordi; Bäuerle, Peter","The longest oligothiophene ever examined by X-ray structure analysis","Journal of Materials Chemistry","2006","16","8","728","","10.1039/b513427g","","","0.71073","MoKα","","0.1777","0.063","","","0.1135","0.1445","","","","","","0.796","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203158","6.686","0.001","8.672","0.001","16.095","0.003","99.91","0.01","101.54","0.01","94.59","0.01","894.3","0.2","295","2","295","2","","","","","","","synthesised by authors, see text","6","P -1","-P 1","2","","bis(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron)","","- C25 H16 Fe N6 O S16 -","- C25 H16 Fe N6 O S16 -","- C25 H16 Fe N6 O S16 -","1","0.5","","Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.","Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling","Journal of Materials Chemistry","2006","16","8","787","","10.1039/b514912f","","","0.71073","MoKα","","0.0913","0.0562","","","0.1195","0.1329","","","","","","1.009","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203159","19.481","0.003","8.6405","0.001","16.441","0.002","98.894","0.01","93.169","0.01","100.273","0.01","2680.5","0.6","295","2","295","2","","","","","","","synthesised by authors, see text","6","P -1","-P 1","2","","tris(bis(ethylenedithio)tetrathiafulvalene)(pentacyano-(nitroso)-iron) ethylene glycole solvate","","- C37 H30 Fe N6 O3 S24 -","- C37 H30 Fe N6 O3 S24 -","- C74 H60 Fe2 N12 O6 S48 -","2","1","","Simonov, S. V.; Zorina, L. V.; Khasanov, S. S.; Shibaeva, R. P.; Shevyakova, I. Yu.; Buravov, L. I.; Yagubskii, E. B.; Canadell, E.","Molecular conductors with the common and robust building block (BEDT-TTF)2NP (NP = [FeNO(CN)5]2‒) but different band filling","Journal of Materials Chemistry","2006","16","8","787","","10.1039/b514912f","","","0.71073","MoKα","","0.0871","0.0471","","","0.1168","0.1356","","","","","","0.961","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203160","10.001","0.0001","19.579","0.0002","25.715","0.0003","90","","93.051","0.001","90","","5028.11","0.09","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C91 H27 N O -","- C91 H27 N O -","- C364 H108 N4 O4 -","4","1","","Padmawar, Prashant A.; Canteenwala, Taizoon; Verma, Sarika; Tan, Loon-Seng; Chiang, Long Y.","Synthesis and characterization of photoresponsive diphenylaminofluorene chromophore adducts of [60]fullerene","Journal of Materials Chemistry","2006","16","14","1366","","10.1039/b515055h","","","0.71073","MoKα","","0.0786","0.0524","","0.151","0.1279","","","","1.126","1.155","1.155","","","","","has coordinates","180362","2020-10-21","18:00:00",""
"7203161","21.932","0.002","25.059","0.002","40.88","0.004","90","","90","","90","","22467","3","120","2","120","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","tetrakis(9,9-dihexyl-2-(pyridin-2-yl)fluorene-C^2^,N')-bis-(μ- chloro)diiridium, bis(dichloromethane) hydrate","","- C122 H150 Cl6 Ir2 N4 O -","- C122 H148 Cl6 Ir2 N4 O -","- C976 H1184 Cl48 Ir16 N32 O8 -","8","0.25","","Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.","Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices","Journal of Materials Chemistry","2006","16","11","1046","","10.1039/b515258e","","","0.71073","MoKα","","0.119","0.0807","","","0.2002","0.2335","","","","","","1.272","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203162","14.403","0.004","15.041","0.004","16.055","0.004","77.58","0.01","70.27","0.01","79.47","0.01","3174.2","1.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","bis(9,9,-dihexyl-2-pyridin-2-yl)fluorene-C^2^,N')- dimethylsulphoxide iridium(III) isocyanate, bis-dimethylsulphoxide solvate","","- C67 H90 Ir N3 O4 S3 -","- C67 H90 Ir N3 O4 S3 -","- C134 H180 Ir2 N6 O8 S6 -","2","1","","Bettington, Sylvia; Tavasli, Mustafa; Bryce, Martin R.; Batsanov, Andrei S.; Thompson, Amber L.; Al Attar, Hameed A.; Dias, Fernando B.; Monkman, Andrew P.","Bridged diiridium complexes for electrophosphorescent OLEDs: synthesis, X-ray crystal structures, photophysics, and devices","Journal of Materials Chemistry","2006","16","11","1046","","10.1039/b515258e","","","0.71073","MoKα","","0.027","0.0239","","","0.0609","0.0627","","","","","","1.049","","","","has coordinates,has disorder","180362","2020-10-21","18:00:00",""
"7203182","6.9146","0.0014","7.0143","0.0019","10.59","0.002","100.178","0.019","97.31","0.017","117.655","0.016","434.7","0.19","295","2","295","2","","","","","","","","4","P -1","-P 1","2","HMI-Au(CN)2","","","- C6 H7 Au N4 -","- C6 H7 Au N4 -","- C12 H14 Au2 N8 -","2","1","","Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki","Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming","Journal of Materials Chemistry","2006","16","8","724","","10.1039/b515869a","","","0.71073","MoK-alpha","","","0.0559","","0.1952","","","","","1.45","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203183","8.3701","0.0017","19.9","0.004","6.6722","0.0018","90","","107.837","0.019","90","","1057.9","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","EMI-Au(CN)2","","","- C8 H11 Au N4 -","- C8 H11 Au N4 -","- C32 H44 Au4 N16 -","4","1","","Yoshida, Yukihiro; Fujii, Junichi; Saito, Gunzi; Hiramatsu, Takaaki; Sato, Naoki","Dicyanoaurate(i) salts with 1-alkyl-3-methylimidazolium: luminescent properties and room-temperature liquid forming","Journal of Materials Chemistry","2006","16","8","724","","10.1039/b515869a","","","0.71073","MoK-alpha","","","0.043","","0.1312","","","","","1.207","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203213","6.339","0.001","9.867","0.001","15.3","0.002","90","","91.05","0.01","90","","956.8","0.2","298","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co4 Na O12 P3 -","- Co4 Na O12 P3 -","- Co16 Na4 O48 P12 -","4","1","","R. Baies; O. Pérez; V. Caignaert; V. Pralong; B. Raveau","A new sodium cobaltophosphate with a tunnel structure, ionic conductor","Journal of Materials Chemistry","2006","16","25","2434","","10.1039/b516383h","","","0.71069","MoKα","","0.1669","0.0523","","","0.0471","0.0603","","","","1.58","1.58","1.23","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203244","17.087","","18.792","","14.191","","113.58","","109.77","","73.52","","3871.49","","","","","","","","","","","","","3","P -1","-P 1","2","","","","?","- C96 N16 O16 -","- C96 N16 O16 -","","","","Ramasamy P. Pandian; Young-Il Kim; Patrick M. Woodward; Jay L. Zweier; Periakaruppan T. Manoharan; Periannan Kuppusamy","The open molecular framework of paramagnetic lithium octabutoxy-naphthalocyanine: implications for the detection of oxygen and nitric oxide using EPR spectroscopy","Journal of Materials Chemistry","2006","16","36","3609","","10.1039/b517976a","","","","","","","","","","","","","","","","","","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203245","23.1926","0.0016","14.9481","0.0011","28.015","0.002","90","","103.536","0.001","90","","9442.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C88 H128 O28 Ti6 -","- C88 H128 O28 Ti6 -","- C352 H512 O112 Ti24 -","4","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.2136","0.0707","","","0.1642","0.1978","","","","","","0.722","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203246","15.1389","0.0006","27.919","0.0011","28.2235","0.0011","90","","93.822","0.001","90","","11902.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C120 H142 O38 Zr6 -","- C120 H138 O38 Zr6 -","- C480 H552 O152 Zr24 -","4","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.1472","0.0768","","","0.1948","0.2234","","","","","","0.965","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203247","15.621","0.004","15.641","0.004","30.8","0.008","99.36","0.006","95.793","0.005","113.343","0.005","6703","3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C124 H152 O39 Zr6 -","- C124 H147 O39 Zr6 -","- C248 H294 O78 Zr12 -","2","1","","Yu Gao; Franz René Kogler; Herwig Peterlik; Ulrich Schubert","Ring-opening metathesis polymerizations with norbornene carboxylate-substituted metal oxo clusters","Journal of Materials Chemistry","2006","16","32","3268","","10.1039/b518277h","","","0.71073","MoKα","","0.193","0.0975","","","0.2308","0.2728","","","","","","0.927","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203248","11.39","0.001","12.091","0.002","14.386","0.003","74.85","0.02","78.45","0.02","68.7","0.02","1769.5","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)- benzoic acid 3,5-bis-(1'',3''-oxyl-4'',4'',5'',5''-tetramethyl- imidazolin-2''-yl)-phenyl ester","4-(1',3'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1'',3''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester","","- C34.5 H44 Cl N6 O8 -","- C34.5 H43 Cl N6 O8 -","- C69 H86 Cl2 N12 O16 -","2","1","","Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks","Journal of Materials Chemistry","2006","16","21","2064","","10.1039/b518416a","","","0.7107","MoKα","","","0.072","","","","0.219","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203249","11.28","0.007","11.995","0.007","14.345","0.009","74.99","0.02","78.72","0.03","69.63","0.02","1745.5","1.9","293.1","","","","","","","","","","","5","P -1","-P 1","2","4-(1'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis-(1''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)- phenyl ester","4-(1'-oxyl-4',4',5',5'-tetramethyl-imidazolin-2'-yl)-benzoic acid 3,5-bis- (1''-oxyl-4'',4'',5'',5''-tetramethyl-imidazolin-2''-yl)-phenyl ester","","- C34.5 H43 Cl N6 O5 -","- C34.5 H43 Cl N6 O5 -","- C69 H86 Cl2 N12 O10 -","2","1","","Kanzaki, Yuki; Shiomi, Daisuke; Kaneda, Chika; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Clustering of molecular spins in the crystals of nitronylnitroxide and iminonitroxide triradicals based on benzene-1,3,5-triyl frameworks","Journal of Materials Chemistry","2006","16","21","2064","","10.1039/b518416a","","","0.7107","MoKα","","","0.099","","","","0.166","","","","","","0.973","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203251","27.0966","0.0012","9.2018","0.0004","13.7101","0.0005","90","","95.859","0.002","90","","3400.6","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H61 Br N2 O -","- C31 H61 Br N2 O -","- C124 H244 Br4 N8 O4 -","4","1","","Chiou, Josh Y. Z.; Chen, J. N.; Lei, J. S.; Lin, Ivan J. B.","Ionic liquid crystals of imidazolium salts with a pendant hydroxyl group","Journal of Materials Chemistry","2006","16","29","2972","","10.1039/b600045b","","","0.71073","MoKα","","0.1252","0.0448","","","0.1079","0.129","","","","","","0.795","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203293","5.136","0.0006","7.5227","0.0008","25.623","0.003","90","","91.005","0.002","90","","989.83","0.19","295","1","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 N2 O4 -","- C26 H14 N2 O4 -","- C52 H28 N4 O8 -","2","0.5","","Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo","1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy","Journal of Materials Chemistry","2006","16","22","2142","","10.1039/b601258b","","","0.71073","MoKα","","0.1313","0.0644","","","0.1037","0.125","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203294","8.2649","0.0015","14.504","0.003","4.8883","0.0009","98.05","0.003","93.611","0.003","96.27","0.003","574.91","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O4 -","- C26 H20 N2 O4 -","- C26 H20 N2 O4 -","1","0.5","","Ofir, Yuval; Zelichenok, Alexander; Yitzchaik, Shlomo","1,4;5,8-naphthalene-tetracarboxylic diimide derivatives as model compounds for molecular layer epitaxy","Journal of Materials Chemistry","2006","16","22","2142","","10.1039/b601258b","","","0.71073","MoKα","","0.1781","0.1401","","","0.3225","0.3502","","","","","","1.187","","","","has coordinates","180363","2020-10-21","18:00:00",""
"7203299","9.0105","0.0013","11.5303","0.001","19.219","0.002","98.337","0.004","99.0796","0.0011","103.549","0.0008","1882.1","0.4","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 Fe0.5 N O5 S17 -","- C27 H25 Fe0.5 N O5 S17 -","- C54 H50 Fe N2 O10 S34 -","2","1","","Keigo Furuta; Hiroki Akutsu; Jun-ichi Yamada; Shin'ichi Nakatsuji; Scott S. Turner","The first organic molecule-based metal containing ferrocene","Journal of Materials Chemistry","2006","16","16","1504","","10.1039/b601614f","","","0.71069","MoKα","","0.1012","0.0672","","0.043","0.0403","0.0403","","","","","","1.2661","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203300","9.086","0.003","10.859","0.003","16.278","0.004","104.921","0.018","97.54","0.03","103.68","0.02","1476","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C70 H82 O2 -","- C70 H82 O2 -","- C70 H82 O2 -","1","0.5","","Smith, Rhett C.; Gleason, L. Beth; Protasiewicz, John D.","Solution and film photoluminescence of mesityl-substituted PPVs and low molecular weight models","Journal of Materials Chemistry","2006","16","25","2445","","10.1039/b601824f","","","0.71073","MoKα","","0.1229","0.0598","","","0.0784","0.085","","","","","","1.627","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203313","40.092","0.008","10.399","0.002","17.253","0.003","90","","92.43","0.03","90","","7187","2","120","2","120","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C57 H54 Cr2 Mn3 N27 O8 -","- C57 H71 Cr2 Mn3 N27 O8 -","- C228 H284 Cr8 Mn12 N108 O32 -","4","1","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0927","0.0744","","","0.1842","0.196","","","","","","1.073","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203314","9.7483","0.0002","11.5277","0.0003","11.6016","0.0003","68.5041","0.0011","86.9896","0.0011","78.3951","0.0012","1187.93","0.05","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H42 Cr Mn2 N13 O8 S -","- C37 H42 Cr Mn2 N13 O8 S -","- C37 H42 Cr Mn2 N13 O8 S -","1","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71073","MoKα","","0.0687","0.056","","","0.1778","0.191","","","","","","1.168","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203315","23.478","0.005","13.805","0.005","17.086","0.005","90","","125.9","0.005","90","","4486","2","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","MnLFe(CN)6","","","- C37 H49 Fe Mn2 N13 O7.5 S -","- C37 H42 Fe Mn2 N13 O7.5 S -","- C148 H168 Fe4 Mn8 N52 O30 S4 -","4","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71069","MoKα","","0.0506","0.0397","","","0.1053","0.1131","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203316","23.46","0.005","13.766","0.005","17.047","0.005","90","0.005","125.998","0.005","90","0.005","4454","2","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","MnLCo(CN)6","","","- C37 H49 Co Mn2 N13 O7.5 S -","- C37 H42 Co Mn2 N13 O7.5 S -","- C148 H168 Co4 Mn8 N52 O30 S4 -","4","0.5","","Carmen Paraschiv; Marius Andruh; Yves Journaux; Zdirad Žak; Nathalie Kyritsakas; Louis Ricard","Trinuclear magnetic clusters based on cyanide metal complexes: synthesis, crystal structures, and magnetic properties of four new [Mn<small><sup>II</sup></small><small><sub>2</sub></small>M<small><sup>III</sup></small>] complexes (M = Cr, Fe, Co)","Journal of Materials Chemistry","2006","16","26","2660","","10.1039/b602055k","","","0.71069","MoKα","","0.0518","0.0399","","","0.1064","0.1148","","","","","","1.052","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203325","19.9608","0.001","17.0907","0.0009","21.2188","0.0011","90","","96.983","0.001","90","","7185","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 Cl4 Cu4 N20 O28.13 -","- C52 H48 Cl4 Cu4 N20 O28.134 -","- C208 H192 Cl16 Cu16 N80 O112.536 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0434","0.038","","","0.1024","0.1081","","","","","","1.053","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203326","13.02","0.0009","14.0538","0.001","16.5587","0.0012","90","","100.253","0.001","90","","2981.5","0.4","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H44 Mn4 N32 O6 -","- C48 H44 Mn4 N32 O6 -","- C96 H88 Mn8 N64 O12 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.0948","0.0674","","","0.179","0.1962","","","","","","1.074","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203327","12.4058","0.0008","14.4617","0.001","22.1102","0.0015","72.629","0.001","80.747","0.001","78.257","0.001","3685.3","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C57 H54 F12 Mn4 N16 O20 S4 -","- C57 H54 F12 Mn4 N16 O20 S4 -","- C114 H108 F24 Mn8 N32 O40 S8 -","2","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71069","MoKα","","0.055","0.0449","","","0.1192","0.1275","","","","","","1.031","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203328","22.912","0.009","21.105","0.007","18.184","0.007","90","","128.679","0.007","90","","6864","4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H49 Cl4 Cu4 N31 O20 -","- C46 H49 Cl4 Cu4 N31 O20 -","- C184 H196 Cl16 Cu16 N124 O80 -","4","0.5","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1217","0.1101","","","0.2878","0.2986","","","","","","1.133","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203329","13.9992","0.0013","22.318","0.002","29.476","0.003","90","","93.573","0.002","90","","9191.4","1.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81.5 H75 Cl4 Mn5 N25 O23.5 -","- C81.5 H73.5 Cl4 Mn5 N25 O23.5 -","- C326 H294 Cl16 Mn20 N100 O94 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.71073","MoKα","","0.1529","0.0745","","","0.1961","0.2436","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203330","16.8375","0.0019","23.483","0.003","23.61","0.003","90","","96.97","0.003","90","","9266","2","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H74 Cl4 Mn5 N42 O29 -","- C60 H60 Cl4 Mn5 N42 O29 -","- C240 H240 Cl16 Mn20 N168 O116 -","4","1","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1096","0.0979","","","0.2731","0.2906","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203331","27.9255","0.0013","27.9255","0.0013","40.217","0.002","90","","90","","90","","31363","3","153","2","153","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C102 H134 Mn9 N72 O58 -","- C102 H78 Mn9 N72 O58 -","- C816 H624 Mn72 N576 O464 -","8","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1356","0.1278","","","0.3008","0.3049","","","","","","1.348","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203332","20.9857","0.0014","20.9857","0.0014","17.3731","0.0012","90","","90","","90","","7651.1","0.9","153","2","153","2","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C102 H108.4 Cl10 Cu9 N66 O65.2 -","- C102 H82 Cl10 Cu9 N66 O65.2 -","- C204 H164 Cl20 Cu18 N132 O130.4 -","2","0.25","","Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.","Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties","Journal of Materials Chemistry","2006","16","26","2645","","10.1039/b602595a","","","0.7107","MoKα","","0.1127","0.1023","","","0.2406","0.2479","","","","","","1.254","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203333","13.0139","0.0004","16.3755","0.0005","15.3571","0.0005","90","","99.636","0.002","90","","3226.56","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H64 Co2 N4 O12 -","- C76 H52 Co2 N4 O12 -","- C152 H104 Co4 N8 O24 -","2","0.5","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.6898","synchrotron","","0.0622","0.0445","","","0.1241","0.1338","","","","","","1.048","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203334","11.1277","0.0009","11.9911","0.0009","15.5385","0.0012","88.681","0.006","78.05","0.006","79.383","0.006","1993.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 Co2 N6 O10 -","- C94 H82 Co2 N6 O10 -","- C94 H82 Co2 N6 O10 -","1","0.5","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.71073","MoKα","","0.0638","0.0447","","","0.1152","0.1248","","","","","","1.035","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203335","14.979","0.004","15.001","0.004","16.832","0.008","110.075","0.009","106.062","0.009","106.923","0.007","3085.7","1.9","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H54 Co3 O15 -","- C75 H42 Co3 O15 -","- C150 H84 Co6 O30 -","2","1","","Guillem Aromí; Helen Stoeckli-Evans; Simon J. Teat; Joan Cano; Joan Ribas","Di- and trinuclear Co<small><sup>II</sup></small> complexes of a bis-β-diketone ligand with variable conformation: structure and magnetic studies","Journal of Materials Chemistry","2006","16","26","2635","","10.1039/b602831d","","","0.6897","synchrotron","","0.1382","0.125","","","0.3631","0.3908","","","","","","1.735","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203336","22.8942","0.0001","22.8942","0.0001","22.8942","0.0001","90","","90","","90","","11999.9","0.09","123","2","123","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C42.5 H84 F3 Fe8 N4 O28 -","- C42.5 H81 F3 Fe8 N4 O28 -","- C340 H648 F24 Fe64 N32 O224 -","8","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.0362","0.0285","","","0.0642","0.0674","","","","","","1.118","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203337","15.7648","0.0002","15.7648","0.0002","21.1873","0.0005","90","","90","","120","","4560.19","0.14","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C66 H132 Fe7 N3 O33 -","- C66 H123 Fe7 N3 O33 -","- C132 H246 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.093","0.0568","","","0.1179","0.1319","","","","","","1.026","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203338","15.5829","0.0008","15.5829","0.0008","20.893","0.001","90","","90","","120","","4393.7","0.4","123","2","123","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C63 H126 Fe7 N3 O33 -","- C63 H120 Fe7 N3 O33 -","- C126 H240 Fe14 N6 O66 -","2","0.333333","","Jones, Leigh F.; Jensen, Paul; Moubaraki, Boujemaa; Berry, Kevin J.; Boas, John F.; Pilbrow, John R.; Murray, Keith S.","Heptanuclear iron(iii) triethanolamine clusters exhibiting ?millennium dome?-like topologies and an octanuclear analogue with ground spin states of S = 5/2 and 0, respectively","Journal of Materials Chemistry","2006","16","26","2690","","10.1039/b602858f","","","0.71073","MoKα","","0.1324","0.0979","","","0.1623","0.1751","","","","","","1.124","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203351","11.7151","0.0007","12.8256","0.0008","13.0725","0.0008","95.35","0.001","111.716","0.001","116.379","0.001","1554.48","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0566","0.0452","","","0.1268","0.1323","","","","","","1.065","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203352","11.666","0.0007","12.8283","0.0007","13.4211","0.0008","95.942","0.001","111.898","0.001","115.85","0.001","1589.67","0.16","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0638","0.0477","","","0.1333","0.1412","","","","","","1.052","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203353","11.7103","0.0005","12.8096","0.0006","12.9408","0.0006","95.223","0.002","111.65","0.002","116.42","0.002","1537.99","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H52 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","- C68 H48 Fe N26 O2 S2 -","1","0.5","","Manuel Quesada; Maria Monrabal; Guillem Aromí; Víctor A. de la Peña-O'Shea; Martí Gich; Elies Molins; Olivier Roubeau; Simon J. Teat; Elizabeth J. MacLean; Patrick Gamez; Jan Reedijk","Spin transition in a triazine-based Fe(<small>II</small>) complex: variable-temperature structural, thermal, magnetic and spectroscopic studies","Journal of Materials Chemistry","2006","16","26","2669","","10.1039/b602903e","","","0.6923","synchrotron","","0.0516","0.0434","","","0.1164","0.1206","","","","","","1.09","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203356","9.18","0.0016","9.2312","0.0016","9.2851","0.0017","115.971","0.003","96.663","0.003","110.403","0.002","628.39","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","- C20 H50 N5 Ta -","1","1","","Davies, Hywel O.; Jones, Anthony C.; McKinnell, Elizabeth A.; Raftery, James; Muryn, Christopher A.; Afzaal, Mohammad; O'Brien, Paul","Tantalum(v) diethylamide, [Ta(NEt2)5]: a potentially important and crystalline precursor for the CVD of oxides containing tantalum","Journal of Materials Chemistry","2006","16","23","2226","","10.1039/b602986h","","","0.71073","MoKα","","0.0379","0.0349","","","0.0872","0.0908","","","","","","1.086","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203357","9.454","0.005","4.905","0.005","15.495","0.005","90","","102.564","0.005","90","","701.3","0.8","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Copper Dimandelate","","","- C16 H14 Cu O6 -","- C16 H14 Cu O6 -","- C32 H28 Cu2 O12 -","2","0.5","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1293","0.0817","","","0.1216","0.1349","","","","","","1.16","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203358","7.988","0.001","8.998","0.001","9.029","0.001","90","","90","","90","","648.97","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn O6 -","- C4 H6 Mn O6 -","- C16 H24 Mn4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0182","0.0176","","","0.0442","0.0444","","","","","","1.098","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203359","7.754","0.001","8.875","0.001","8.987","0.001","90","","90","","90","","618.46","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co O6 -","- C4 H6 Co O6 -","- C16 H24 Co4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0261","0.0227","","","0.0583","0.0605","","","","","","0.74","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203360","7.881","0.005","8.942","0.005","8.996","0.005","90","","90","","90","","634","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Co0.37 Mn0.63 O6 -","- C4 H6 Co0.37 Mn0.63 O6 -","- C16 H24 Co1.48 Mn2.52 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0177","0.0174","","","0.0425","0.0426","","","","","","1.109","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203361","7.86","0.001","8.923","0.001","8.984","0.001","90","","90","","90","","630.09","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Fe O6 -","- C4 H6 Fe O6 -","- C16 H24 Fe4 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.7107","MoKα","","0.0257","0.0241","","","0.0617","0.0626","","","","","","1.061","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203362","7.902","0.005","8.942","0.005","9.053","0.005","90","","90","","90","","639.7","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H6 Mn0.79 Ni0.21 O6 -","- C4 H6 Mn0.79 Ni0.21 O6 -","- C16 H24 Mn3.16 Ni0.84 O24 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.0174","0.017","","","0.0478","0.048","","","","","","1.008","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203363","14.296","0.003","6.899","0.002","22.434","0.005","90","","119.66","0.05","90","","1922.7","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 Co O7 -","- C19 H22 Co O7 -","- C76 H88 Co4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1807","0.0946","","","0.1487","0.2014","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203364","9.336","0.005","25.97","0.009","8.25","0.005","90","","106.045","0.005","90","","1922.3","1.7","173","2","173","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H22 Cu O7 -","- C19 H22 Cu O7 -","- C76 H88 Cu4 O28 -","4","1","","Beghidja, Adel; Rogez, Guillaume; Rabu, Pierre; Welter, Richard; Drillon, Marc","An approach to chiral magnets using ?-hydroxycarboxylates","Journal of Materials Chemistry","2006","16","26","2715","","10.1039/b603014a","","","0.71069","MoKα","","0.1954","0.12","","","0.1728","0.2035","","","","","","1.166","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203365","7.864","0.004","8.054","0.004","9.893","0.005","70.04","0.05","73.31","0.05","83.69","0.05","564.1","0.5","294","2","294","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","- C26 H26 N2 O3 S -","1","1","","Blanca Ruiz; Zhou Yang; Volker Gramlich; Mojca Jazbinsek; Peter Günter","Synthesis and crystal structure of a new stilbazolium salt with large second-order optical nonlinearity","Journal of Materials Chemistry","2006","16","27","2839","","10.1039/b603049a","","","1.54178","CuKα","","0.215","0.1299","","","0.2828","0.3389","","","","","","0.622","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203366","13.6684","0.0004","7.4084","0.0002","23.4344","0.0008","90","","101.691","0.0012","90","","2323.76","0.12","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","2D-grid-FeSm","","","- C16 H18 Fe N8 O7 Sm -","- C16 H8 Fe N8 O7 Sm -","- C64 H32 Fe4 N32 O28 Sm4 -","4","1","","Zhang, Yuan-Zhu; Duan, Gong-Ping; Sato, Osamu; Gao, Song","Structures and magnetism of cyano-bridged grid-like two-dimensional 4f?3d arrays","Journal of Materials Chemistry","2006","16","26","2625","","10.1039/b603050e","","","0.71073","MoKα","","0.131","0.0739","","","0.1842","0.1987","","","","","","1.088","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203367","7.3467","0.0002","11.7325","0.0003","13.5919","0.0004","101.563","0.0016","90.6115","0.0017","92.7337","0.0012","1146.23","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","TbFe-2D","","","- C16 H18 Fe N8 O7 Tb -","- C16 H8 Fe N8 O7 Tb -","- C32 H16 Fe2 N16 O14 Tb2 -","2","1","","Zhang, Yuan-Zhu; Duan, Gong-Ping; Sato, Osamu; Gao, Song","Structures and magnetism of cyano-bridged grid-like two-dimensional 4f?3d arrays","Journal of Materials Chemistry","2006","16","26","2625","","10.1039/b603050e","","","0.71073","MoKα","","0.1326","0.0935","","","0.2335","0.2499","","","","","","1.004","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203381","15.8727","0.0007","8.3021","0.0004","16.7073","0.0007","90","","90.279","0.002","90","","2201.61","0.17","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Br N Ni S6 -","- C20 H15 Br N Ni S6 -","- C80 H60 Br4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0661","0.0388","","","0.0905","0.098","","","","","","1.036","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203382","10.428","0.0012","12.394","0.0006","16.594","0.0019","90","","90","","90","","2144.7","0.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H15 F N Ni S6 -","- C20 H15 F N Ni S6 -","- C80 H60 F4 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0858","0.0584","","","0.1303","0.1402","","","","","","0.99","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203383","14.914","0.0009","9.3981","0.0007","15.3174","0.001","90","","97.784","0.004","90","","2127.2","0.2","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N Ni S6 -","- C20 H16 N Ni S6 -","- C80 H64 N4 Ni4 S24 -","4","1","","Belo, D.; Figueira, M. J.; Nunes, J. P. M.; Santos, I. C.; Pereira, L. C.; Gama, V.; Almeida, M.; Rovira, C.","Magnetic properties of RBzPy[Ni(?-tpdt)2] (R = H, Br, F): effects of cis?trans disorder","Journal of Materials Chemistry","2006","16","26","2746","","10.1039/b603443h","","","0.71073","MoKα","","0.0542","0.0369","","","0.0952","0.102","","","","","","1.045","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203384","17.2769","0.0013","10.7994","0.0008","17.8486","0.0014","90","","90","","90","","3330.2","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H18 Cl2 Cu N5 O -","- C13 H18 Cl2 Cu N5 O -","- C104 H144 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0517","0.0488","","","0.1126","0.1137","","","","","","1.373","","","","has coordinates,has disorder","180364","2020-10-21","18:00:00",""
"7203385","14.9568","0.0012","9.9809","0.0008","17.3231","0.0014","90","","90","","90","","2586","0.4","193","2","193","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Cl2 Cu N5 O -","- C9 H10 Cl2 Cu N5 O -","- C72 H80 Cl16 Cu8 N40 O8 -","8","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0269","0.023","","","0.0626","0.0656","","","","","","1.077","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203386","5.1997","0.0013","26.482","0.007","10.429","0.003","90","","103.785","0.004","90","","1394.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,5-diisopropyl-3-(2-pyridyl)-6-oxoverdazyl","","- C13 H18 N5 O -","- C13 H18 N5 O -","- C52 H72 N20 O4 -","4","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.1148","0.0524","","","0.0993","0.1187","","","","","","1.015","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203387","9.811","0.0009","10.9073","0.001","12.5202","0.0012","78.5653","0.0014","83.4835","0.0014","73.6999","0.0014","1258","0.2","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H13 Cu F12 N6 O5 -","- C18 H13 Cu F12 N6 O5 -","- C36 H26 Cu2 F24 N12 O10 -","2","1","","Gilroy, Joe B.; Koivisto, Bryan D.; McDonald, Robert; Ferguson, Michael J.; Hicks, Robin G.","Magnetostructural studies of copper(ii)?verdazyl radical complexes","Journal of Materials Chemistry","2006","16","26","2618","","10.1039/b603624d","","","0.71073","MoKα","","0.0636","0.0453","","","0.1207","0.1302","","","","","","1.072","","","","has coordinates","180364","2020-10-21","18:00:00",""
"7203400","14.695","0.002","13.33","0.0014","41.182","0.005","90","","94.32","0.01","90","","8044","1.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-(trimethylsilyl)- fluoren-7-yl)phenyl)-1,3,4-oxadiazole","2-(4-tert-Butylphenyl)-5-{4-[9,9-dihexyl-2-(trimethylsilyl)-fluoren-7- yl]phenyl}-1,3,4-oxadiazole","","- C46 H58 N2 O Si -","- C46 H58 N2 O Si -","- C368 H464 N16 O8 Si8 -","8","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0911","0.0447","","","0.1001","0.1178","","","","","","0.938","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203401","10.945","0.005","12.714","0.003","13.128","0.004","96.1","0.01","93.84","0.01","94.38","0.01","1806","1.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","2-(4-tert-Butylphenyl)-5-(4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl)-1,3,4-oxadiazole","2-(4-tert-Butylphenyl)-5-[4-(9,9-dihexyl-2-bromofluoren-7- yl)phenyl]-1,3,4-oxadiazole","","- C43 H49 Br N2 O -","- C43 H49 Br N2 O -","- C86 H98 Br2 N4 O2 -","2","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0518","0.0351","","","0.0888","0.0937","","","","","","1.032","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203402","21.462","0.006","9.581","0.003","23.428","0.006","90","","96.48","0.02","90","","4787","2","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","2,5-Bis(2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl)pyridine, deuterochloroform trisolvate","2,5-Bis[2-(4-diphenylaminophenyl)-1,3,4-oxadiazol-5- yl]pyridine, deuterochloroform trisolvate","","- C48 H31 Cl9 D3 N7 O2 -","- C48 H31 Cl9 D3 N7 O2 -","- C192 H124 Cl36 D12 N28 O8 -","4","0.5","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0648","0.0547","","","0.1607","0.1656","","","","","","1.681","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203403","7.3569","0.0011","6.1392","0.001","34.909","0.006","90","","91.43","0.02","90","","1576.2","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-(4-tert-butylphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole","2-(4-tert-butylphenyl)-5-(4-bromophenyl)-1,3,4-oxadiazole","","- C18 H17 Br N2 O -","- C18 H17 Br N2 O -","- C72 H68 Br4 N8 O4 -","4","1","","Kamtekar, Kiran T.; Wang, Changsheng; Bettington, Sylvia; Batsanov, Andrei S.; Perepichka, Igor F.; Bryce, Martin R.; Ahn, Jin H.; Rabinal, Mohammad; Petty, Michael C.","New electroluminescent bipolar compounds for balanced charge-transport and tuneable colour in organic light emitting diodes: triphenylamine?oxadiazole?fluorene triad molecules","Journal of Materials Chemistry","2006","16","39","3823","","10.1039/b604543j","","","0.71073","MoKα","","0.0832","0.076","","","0.1678","0.171","","","","","","1.158","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203410","32.361","0.001","8.8752","0.0004","21.1416","0.0005","90","","118.26","0.002","90","","5348.3","0.3","218","2","218","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H34 Co2 F24 N8 O12 -","- C40 H34 Co2 F24 N8 O12 -","- C160 H136 Co8 F96 N32 O48 -","4","0.5","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.0492","0.0368","","","0.0874","0.0928","","","","","","1.042","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203411","13.111","0.003","13.153","0.004","13.664","0.004","95.901","0.008","110.85","0.01","103.85","0.01","2091.6","1","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.5 H32.5 Cl1.5 F12 N8 Ni O8 -","- C30.5 H32 Cl1.5 F12 N8 Ni O8 -","- C61 H64 Cl3 F24 N16 Ni2 O16 -","2","1","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.2209","0.0922","","","0.1718","0.2124","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203412","13.8867","0.0004","13.1057","0.0003","13.4309","0.0004","90","","105.917","0.001","90","","2350.64","0.11","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N4 O2 -","- C10 H15 N4 O2 -","- C80 H120 N32 O16 -","8","2","","Catala, Laure; Wurst, Klaus; Amabilino, David B.; Veciana, Jaume","Polymorphs of a pyrazole nitronyl nitroxide and its complexes with metal(ii) hexafluoroacetylacetonates","Journal of Materials Chemistry","2006","16","26","2736","","10.1039/b604598g","","","0.71073","MoKα","","0.0425","0.0343","","","0.0866","0.0908","","","","","","1.035","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203413","13.2125","0.0007","10.9602","0.0006","22.4329","0.0011","90","","95.053","0.001","90","","3235.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H106 Mn4 N4 O16 -","- C52 H106 Mn4 N4 O16 -","- C104 H212 Mn8 N8 O32 -","2","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.0357","0.0278","","","0.0721","0.074","","","","","","0.973","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203414","16.6894","0.0014","8.736","0.0007","21.3378","0.0018","90","","92.949","0.002","90","","3106.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H88 Mn4 N4 O16 -","- C60 H88 Mn4 N4 O16 -","- C120 H176 Mn8 N8 O32 -","2","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.0559","0.0416","","","0.0949","0.1001","","","","","","1.012","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203415","30.242","0.003","8.671","0.0006","26.618","0.003","90","","119.915","0.009","90","","6050","1.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H75.9 Mn4 N4.7 O20.3 -","- C54 H75.3 Mn4 N4.7 O20.3 -","- C216 H301.2 Mn16 N18.8 O81.2 -","4","0.5","","Ayuk M. Ako; Valeriu Mereacre; Ian J. Hewitt; Rodolphe Clérac; Lollita Lecren; Christopher E. Anson; Annie K. Powell","Enhancing single molecule magnet parameters. Synthesis, crystal structures and magnetic properties of mixed-valent Mn<small><sub>4</sub></small> SMMs","Journal of Materials Chemistry","2006","16","26","2579","","10.1039/b604611h","","","0.71073","MoKα","","0.1091","0.0904","","","0.2279","0.2397","","","","","","1.091","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203420","10.356","0.004","13.044","0.005","19.594","0.007","97.79","0.008","104.678","0.008","99.573","0.009","2480.6","1.6","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H53 Cl3 Si2 -","- C63 H53 Cl3 Si2 -","- C126 H106 Cl6 Si4 -","2","1","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.2242","0.0704","","","0.126","0.1509","","","","","","0.94","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203421","27.005","0.007","16.153","0.007","16.336","0.005","90","","93.294","0.01","90","","7114","4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 O2 Si -","- C30 H26 O2 Si -","- C360 H312 O24 Si12 -","12","1.5","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.103","0.0547","","","0.1065","0.1182","","","","","","1.014","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203422","9.782","0.002","22.465","0.006","12.753","0.003","90","","99.581","0.019","90","","2763.4","1.1","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Si2 -","- C32 H32 Si2 -","- C128 H128 Si8 -","4","1","","Xiaowei Zhan; Chad Risko; Alexander Korlyukov; Francis Sena; Tatiana V. Timofeeva; Mikhail Yu. Antipin; Stephen Barlow; Jean-Luc Brédas; Seth R. Marder","Comparative studies of the geometric and electronic properties of 1,1-disubstituted-2,3,4,5-tetraphenylsiloles and 1,1,2,2-tetramethyl-3,4,5,6-tetraphenyl-1,2-disila-3,5-cyclohexadiene","Journal of Materials Chemistry","2006","16","39","3814","","10.1039/b605343b","","","0.71073","MoKα","","0.0563","0.0364","","","0.0875","0.1013","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203423","7.191","0.003","35.436","0.014","13.048","0.005","90","","90","","90","","3325","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C16 H8 Br4 Cl4 Fe S4 Se8 -","- C64 H32 Br16 Cl16 Fe4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.163","0.0621","","","0.1555","0.2128","","","","","","0.796","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203424","7.205","0.003","35.506","0.015","13.063","0.005","90","","90","","90","","3342","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C16 H8 Br4 Cl4 Ga S4 Se8 -","- C64 H32 Br16 Cl16 Ga4 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1431","0.0653","","","0.1541","0.2009","","","","","","0.789","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203425","38.489","0.013","7.207","0.002","13.08","0.004","90","","109.405","0.008","90","","3422.2","1.8","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br8 Fe S4 Se8 -","- C16 H8 Br8 Fe S4 Se8 -","- C64 H32 Br32 Fe4 S16 Se32 -","4","0.5","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1495","0.0614","","","0.1518","0.1884","","","","","","0.895","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203426","38.506","0.011","7.214","0.002","13.084","0.004","90","","109.567","0.006","90","","3424.6","1.7","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H8 Br8 Ga S4 Se8 -","- C16 H8 Br8 Ga S4 Se8 -","- C64 H32 Br32 Ga4 S16 Se32 -","4","0.5","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1404","0.075","","","0.249","0.269","","","","","","1.081","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203427","7.3104","0.0015","35.755","0.008","13.552","0.003","90","","90","","90","","3542.3","1.3","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C16 H8 Cl4 Fe I4 S4 Se8 -","- C64 H32 Cl16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0567","0.0385","","","0.1045","0.1266","","","","","","1.061","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203428","7.313","0.003","35.766","0.013","13.558","0.005","90","","90","","90","","3546","2","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C16 H8 Cl4 Ga I4 S4 Se8 -","- C64 H32 Cl16 Ga4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.1263","0.064","","","0.1482","0.1831","","","","","","0.86","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203429","7.317","0.002","36.582","0.012","13.569","0.004","90","","90","","90","","3632","1.9","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0913","0.0534","","","0.126","0.1552","","","","","","1.007","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203430","7.3241","0.0017","36.602","0.009","13.58","0.003","90","","90","","90","","3640.5","1.5","293","","293","","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C16 H8 Br4 Fe I4 S4 Se8 -","- C16 H8 Br4 Fe I4 S4 Se8 -","- C64 H32 Br16 Fe4 I16 S16 Se32 -","4","0.25","","Shirahata, Takashi; Kibune, Megumi; Maesato, Mitsuhiko; Kawashima, Tomohito; Saito, Gunzi; Imakubo, Tatsuro","New organic conductors based on dibromo- and diiodo-TSeFs with magnetic and non-magnetic MX4 counter anions (M = Fe, Ga; X = Cl, Br)","Journal of Materials Chemistry","2006","16","33","3381","","10.1039/b605420j","","","0.71073","MoKα","","0.0678","0.0416","","","0.1159","0.137","","","","","","0.913","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203431","16.0034","0.0009","33.0383","0.0007","10.6224","0.0005","90","","97.142","0.002","90","","5572.8","0.4","193","2","193","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","3,6-Bis-(2,5-bis-hexyloxy-4-phenylethynyl-phenylethynyl)- fluoren-9-one","","","- C69 H72 O5 -","- C69 H72 O5 -","- C276 H288 O20 -","4","0.5","","Matthias Lehmann; Shin-Woong Kang; Christiane Köhn; Sönke Haseloh; Ute Kolb; Dieter Schollmeyer; QingBing Wang; Satyendra Kumar","Shape-persistent V-shaped mesogens—formation of nematic phases with biaxial order","Journal of Materials Chemistry","2006","16","44","4326","","10.1039/b605718g","","","1.54178","CuKα","","0.059","0.0453","","","0.1119","0.1207","","","","","","1.026","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203467","13.104","0.005","25.175","0.009","16.573","0.006","90","","99.814","0.007","90","","5387","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C108 H94 Mn6 N8 O30 P4 -","- C108 H94 Mn6 N8 O30 P4 -","- C216 H188 Mn12 N16 O60 P8 -","2","0.5","","Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters","Journal of Materials Chemistry","2006","16","26","2576","","10.1039/b606571f","","","0.71073","MoKα","","0.0673","0.0383","","","0.0758","0.0811","","","","","","0.864","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203468","25.261","0.016","25.341","0.016","28.763","0.017","71.536","0.013","80.221","0.012","83.453","0.012","17175","18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C161.63 H147.88 Li Mn12 N9.13 O50.38 P4 -","- C161.625 H147.875 Li Mn12 N9.125 O50.375 P4 -","- C646.5 H591.5 Li4 Mn48 N36.5 O201.5 P16 -","4","2","","Shanmugam, Maheswaran; Shanmugam, Muralidharan; Chastanet, Guillaume; Sessoli, Roberta; Mallah, Talal; Wernsdorfer, Wolfgang; Winpenny, Richard E. P.","Minor changes in phosphonate ligands lead to new hexa- and dodeca-nuclear Mn clusters","Journal of Materials Chemistry","2006","16","26","2576","","10.1039/b606571f","","","0.71073","MoKα","","0.1483","0.0598","","","0.1325","0.1582","","","","","","0.772","","","","has coordinates,has disorder","180365","2020-10-21","18:00:00",""
"7203477","5.0294","0.0011","7.4771","0.0017","19.701","0.004","97.683","0.004","92.558","0.004","109.44","0.004","689.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H30 O6 -","- C36 H30 O6 -","- C36 H30 O6 -","1","0.5","","Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner","Highly soluble acenes as semiconductors for thin film transistors","Journal of Materials Chemistry","2006","16","37","3708","","10.1039/b607172d","","","0.71073","MoKα","","0.0649","0.0516","","","0.126","0.1326","","","","","","1.084","","","","has coordinates","180365","2020-10-21","18:00:00",""
"7203478","35.241","0.003","5.6021","0.0005","20.1942","0.0018","90","","90.868","0.002","90","","3986.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl6 O6 -","- C42 H34 Cl6 O6 -","- C168 H136 Cl24 O24 -","4","1","","Rüdiger Schmidt; Silke Göttling; Dirk Leusser; Dietmar Stalke; Ana-Maria Krause; Frank Würthner","Highly soluble acenes as semiconductors for thin film transistors","Journal of Materials Chemistry","2006","16","37","3708","","10.1039/b607172d","","","0.71073","MoKα","","0.0599","0.0544","","","0.1117","0.1138","","","","","","1.236","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203503","18.217","0.006","18.217","0.006","24.865","0.007","90","","90","","120","","7146","4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Fe4 N6 O S12 -","- C42 H24 Fe4 N6 O S12 -","- C252 H144 Fe24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1167","0.0755","","","0.1298","0.1483","","","","","","1.023","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203504","18.264","0.003","18.264","0.003","24.878","0.005","90","","90","","120","","7187","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 Co4 N6 O S12 -","- C42 H24 Co4 N6 O S12 -","- C252 H144 Co24 N36 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1131","0.0423","","","0.0681","0.082","","","","","","0.982","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203505","18.261","0.003","18.261","0.003","24.862","0.005","90","","90","","120","","7180","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H24 N6 Ni4 O S12 -","- C42 H24 N6 Ni4 O S12 -","- C252 H144 N36 Ni24 O6 S72 -","6","0.333333","","Jian, Fangfang; Xiao, Hailian; Bai, Zhengshuai; Zhao, Pusu","Synthesis, characterization and nonlinear optical effects of M4(?4-O) core complexes with large two-photon absorption cross-section","Journal of Materials Chemistry","2006","16","38","3746","","10.1039/b607731e","","","0.71073","MoKα","","0.1551","0.0955","","","0.1798","0.2095","","","","","","1.028","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203512","10.093972","0.000026","10.093972","","10.093972","","90","","90","","90","","1028.46","0.003","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- O7 Ti1.99 Y1.98 -","- O7 Ti1.994 Y1.9766 -","- O56 Ti15.952 Y15.8128 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","3.67","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203513","10.11355","0.000026","10.11355","","10.11355","","90","","90","","90","","1034.45","0.003","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.1 O7 Ti2 Y1.9 -","- La0.1 O7 Ti2 Y1.9 -","- La0.8 O56 Ti16 Y15.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","3.54","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203514","10.13428","0.00004","10.13428","","10.13428","","90","","90","","90","","1040.83","0.004","","","298","","","","101.325","","","","synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.22 O7 Ti2 Y1.75 -","- La0.2185 O7 Ti2 Y1.7497 -","- La1.748 O56 Ti16 Y13.9976 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOFneutrons","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203515","7.76154","0.00025","5.51328","0.00018","13.0011","0.0006","90","","98.597","0.013","90","","550.09","0.04","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.61 O7 Ti2 Y0.35 -","- La1.6058 O7 Ti2 Y0.3482 -","- La6.4232 O28 Ti8 Y1.3928 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203516","10.13077","0.00005","10.13077","","10.13077","","90","","90","","90","","1039.75","0.005","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.22 O7 Ti2 Y1.75 -","- La0.2207 O7 Ti2 Y1.7471 -","- La1.7656 O56 Ti16 Y13.9768 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203517","7.7865","0.00022","5.53083","0.00015","13.0051","0.0006","90","","98.617","0.012","90","","553.75","0.04","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.64","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203518","10.1347","0.0008","10.1347","","10.1347","","90","","90","","90","","1040.96","0.08","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.23 O7 Ti2 Y1.73 -","- La0.2273 O7 Ti2 Y1.7275 -","- La1.8184 O56 Ti16 Y13.82 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","neutron","","TOF,ISIS,RAL","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203519","7.80068","0.00021","5.54031","0.00014","13.0072","0.0005","90","","98.633","0.012","90","","555.78","0.03","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","1.41","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203520","7.80896","0.0001","5.54608","0.00007","13.01425","0.00022","90","","98.658","0.004","90","","557.213","0.015","","","","","","","","","","","Synthetic","3","P 1 21 1","P 2yb","4","Lanthanum Titanate","Lanthanum Titanate","","- La1.94 O7 Ti2.07 -","- La1.94416 O7 Ti2.07313 -","- La7.77664 O28 Ti8.29252 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","2.19","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203521","10.10199","0.00011","10.10199","","10.10199","","90","","90","","90","","1030.91","0.011","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.05 O7 Ti2 Y1.95 -","- La0.05 O7 Ti2 Y1.95 -","- La0.4 O56 Ti16 Y15.6 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.8","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203522","10.10484","0.00012","10.10484","","10.10484","","90","","90","","90","","1031.78","0.012","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.1 O7 Ti2 Y1.9 -","- La0.1 O7 Ti2 Y1.9 -","- La0.8 O56 Ti16 Y15.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.79","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203523","10.10901","0.00004","10.10901","","10.10901","","90","","90","","90","","1033.06","0.004","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.2 O7 Ti2 Y1.8 -","- La0.2 O7 Ti2 Y1.8 -","- La1.6 O56 Ti16 Y14.4 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.79","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203524","10.11306","0.00006","10.11306","","10.11306","","90","","90","","90","","1034.3","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.25 O7 Ti2 Y1.75 -","- La0.25 O7 Ti2 Y1.75 -","- La2 O56 Ti16 Y14 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203525","10.11981","0.00006","10.11981","","10.11981","","90","","90","","90","","1036.38","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.3 O7 Ti2 Y1.7 -","- La0.3 O7 Ti2 Y1.7 -","- La2.4 O56 Ti16 Y13.6 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.84","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203526","10.12344","0.00006","10.12344","","10.12344","","90","","90","","90","","1037.49","0.006","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La0.35 O7 Ti2 Y1.65 -","- La0.35 O7 Ti2 Y1.65 -","- La2.8 O56 Ti16 Y13.2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.82","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203527","7.77611","0.00019","5.52192","0.00014","13.0062","0.0004","90","","98.573","0.009","90","","552.23","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La6.6 O28 Ti8 Y1.4 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203528","10.1315","0.0004","10.1315","","10.1315","","90","","90","","90","","1039.97","0.04","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.65 O7 Ti2 Y0.35 -","- La1.65 O7 Ti2 Y0.35 -","- La13.2 O56 Ti16 Y2.8 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203529","7.77648","0.00025","5.52235","0.00018","13.0065","0.0005","90","","98.628","0.007","90","","552.24","0.03","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La6.8 O28 Ti8 Y1.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203530","10.1316","0.0011","10.1316","","10.1316","","90","","90","","90","","1040","0.11","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.7 O7 Ti2 Y0.3 -","- La1.7 O7 Ti2 Y0.3 -","- La13.6 O56 Ti16 Y2.4 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203531","7.7756","0.0004","5.52257","0.00027","13.0015","0.0007","90","","98.586","0.009","90","","552.04","0.05","","","298","","","","101.325","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La7 O28 Ti8 Y -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","0.9","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203532","10.1145","0.0024","10.1145","","10.1145","","90","","90","","90","","1034.7","0.2","","","298","","","","101.325","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.75 O7 Ti2 Y0.25 -","- La1.75 O7 Ti2 Y0.25 -","- La14 O56 Ti16 Y2 -","8","0.0416667","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","x-ray","1.54058","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203533","7.7821","0.0004","5.52664","0.00025","13.0058","0.0007","90","","98.62","0.01","90","","553.05","0.05","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.8 O7 Ti2 Y0.2 -","- La1.8 O7 Ti2 Y0.2 -","- La7.2 O28 Ti8 Y0.8 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.88","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203534","7.7889","0.0004","5.53193","0.00026","13.0091","0.0009","90","","98.649","0.019","90","","554.16","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Yttrium Lanthanum Titanate","Yttrium Lanthanum Titanate","","- La1.85 O7 Ti2 Y0.15 -","- La1.85 O7 Ti2 Y0.15 -","- La7.4 O28 Ti8 Y0.6 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203535","7.7953","0.0004","5.53702","0.00028","13.0114","0.0009","90","","98.626","0.018","90","","555.25","0.06","","","","","","","","","","","Synthetic","4","P 1 21 1","P 2yb","4","Lanthanum Yttrium Titanate","Lanthanum Yttrium Titanate","","- La1.95 O7 Ti2 Y0.05 -","- La1.95 O7 Ti2 Y0.05 -","- La7.8 O28 Ti8 Y0.2 -","4","2","","Harvey, Elizabeth J.; Ashbrook, Sharon E.; Lumpkin, Gregory R.; Redfern, Simon A. T.","Characterisation of the (Y1?xLax)2Ti2O7 system by powder diffraction and nuclear magnetic resonance methods","Journal of Materials Chemistry","2006","16","48","4665","","10.1039/b608053g","powder diffraction","","","","","","","","","","","","","0.85","","","","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203537","11.125","0.002","16.094","0.01","18.37","0.009","77.92","0.05","87.2","0.02","89.6","0.03","3212","3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H40 F5 N O4 Pd -","- C32 H40 F5 N O4 Pd -","- C128 H160 F20 N4 O16 Pd4 -","4","2","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.2395","0.1328","","","0.3342","0.387","","","","","","1.144","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203538","7.2597","0.0003","16.848","0.002","27.261","0.003","90","","90","","90","","3334.3","0.6","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 F N O3 Pd -","- C40 H44 F N O3 Pd -","- C160 H176 F4 N4 O12 Pd4 -","4","1","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.0258","0.0232","","","0.0528","0.0537","","","","","","1.039","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203539","17.801","0.004","16.966","0.003","22.192","0.005","90","","98.646","0.013","90","","6626","2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N O2 Pd -","- C40 H45 N O2 Pd -","- C320 H360 N8 O16 Pd8 -","8","2","","Viorel Cîrcu; Timothy J. K. Gibbs; Laurent Omnès; Peter N. Horton; Michael B. Hursthouse; Duncan W. Bruce","Orthometallated palladium(<small>II</small>) imine complexes as candidate materials for the biaxial nematic phase. Crystal and molecular structure of three palladium imine complexes","Journal of Materials Chemistry","2006","16","44","4316","","10.1039/b608823f","","","0.71073","MoKα","","0.1037","0.0464","","","0.0942","0.1144","","","","","","0.999","","","","has coordinates,has disorder","180366","2020-10-21","18:00:00",""
"7203564","7.2721","0.001","7.2721","0.001","23.632","0.005","90","","90","","90","","1249.7","0.4","150","0.2","150","0.2","","","","","","","","6","I 41/a m d :2","-I 4bd 2","141","Tetramethylammonium Uranium oxide fluoride","Tetramethylammonium Uranium oxide fluoride","","- C4 H12 F5 N O4 U2 -","- C4 H12 F5 N O4 U2 -","- C16 H48 F20 N4 O16 U8 -","4","0.125","","Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot","[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)","Journal of Materials Chemistry","2006","16","33","3366","","10.1039/b609525a","","","0.71073","MoKα","","0.0316","0.0209","","","0.0436","0.0465","","","","","","1.007","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203565","7.767","0.0016","16.964","0.003","11.255","0.002","90","","105.98","0.03","90","","1425.6","0.5","150","0.2","150","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Tetramethylammonium uranium oxide nitrate","Tetramethylammonium uranium oxide nitrate","","- C4 H12 N4 O11 U -","- C4 H12 N4 O11 U -","- C16 H48 N16 O44 U4 -","4","1","","Ok, Kang Min; Doran, Michael B.; O'Hare, Dermot","[N(CH3)4][(UO2)2F5]: A new organically templated open-framework uranium oxide fluoride (MUF-2)","Journal of Materials Chemistry","2006","16","33","3366","","10.1039/b609525a","","","0.71073","MoKα","","0.0502","0.0296","","","0.0585","0.0655","","","","","","0.89","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203580","12.627","0.004","19.833","0.006","11.46","0.004","90","","96.049","0.004","90","","2854","1.6","143.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) -1-methyl-pyridinium trifluoromethanesulfonate","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) -1-methyl-pyridinium trifluoromethanesulfonate","","- C21 H30 F3 N5 O7 S -","- C21 H30 F3 N5 O7 S -","- C84 H120 F12 N20 O28 S4 -","4","1","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation","Journal of Materials Chemistry","2006","16","42","4146","","10.1039/b609760j","","","0.7107","MoKα","","","0.0988","","","","0.1284","","","","","","1.236","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203581","11.275","0.004","11.242","0.004","17.688","0.006","108.566","0.003","110.869","0.003","89.344","0.003","1972.7","1.2","143.1","","","","","","","","","","","4","P -1","-P 1","2","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2- yl)pyridine","3,5-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl)pyridine","","- C19 H27 N5 O4 -","- C19 H27 N5 O4 -","- C76 H108 N20 O16 -","4","2","","Hayakawa, Kenichi; Shiomi, Daisuke; Ise, Tomoaki; Sato, Kazunobu; Takui, Takeji","Pyridine-substituted nitronyl nitroxide biradicals: a triplet (S = 1) ground state lasting out N-methylation","Journal of Materials Chemistry","2006","16","42","4146","","10.1039/b609760j","","","0.7107","MoKα","","","0.0665","","","","0.0852","","","","","","1.144","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203599","8.4494","0.0017","4.7836","0.001","15.767","0.003","90","","99.491","0.003","90","","628.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Al F H4 O8 P2 -","- Al F H4 O8 P2 -","- Al4 F4 H16 O32 P8 -","4","1","","Parnham, Emily R.; Morris, Russell E.","Ionothermal synthesis using a hydrophobic ionic liquid as solvent in the preparation of a novel aluminophosphate chain structure","Journal of Materials Chemistry","2006","16","37","3682","","10.1039/b610774e","","","0.6999","synchrotron","","0.0706","0.055","","","0.1263","0.1376","","","","","","1.038","","","","has coordinates","180366","2020-10-21","18:00:00",""
"7203600","7.667","0.0008","13.7182","0.0013","11.7334","0.0008","90","","99.379","0.007","90","","1217.59","0.19","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C60 H56 N4 O8 -","2","0.5","","Berner, D.; Klein, C.; Nazeeruddin, Md. K.; De Angelis, Filippo; Castellani, M.; Bugnon, Ph.; Scopelliti, R.; Zuppiroli, L.; Graetzel, M.","Efficient blue light-emitting diodes based on a classical ?push?pull? architecture molecule 4,4?-di-(2-(2,5-dimethoxyphenyl)ethenyl)-2,2?-bipyridine","Journal of Materials Chemistry","2006","16","46","4468","","10.1039/b610880f","","","0.71073","MoKα","","0.0873","0.0349","","","0.063","0.074","","","","","","0.865","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203601","20.3226","0.0018","20.3226","0.0018","7.2569","0.0013","90","","90","","120","","2595.6","0.6","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 Cl2.4 F8 I6 N6 P1.33 Se12 -","- C25.2 H6 Cl2.4 F7.95 I6 N6 P1.34 Se12 -","- C50.4 H12 Cl4.8 F15.9 I12 N12 P2.68 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.0404","0.0352","","","0.0999","0.1018","","","","","","1.132","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203602","20.3703","0.0017","20.3703","0.0017","7.2558","0.0012","90","","90","","120","","2607.4","0.5","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 As1.33 Cl2.4 F8 I6 N6 Se12 -","- C25.2 H6 As1.34 Cl2.4 F7.95 I6 N6 Se12 -","- C50.4 H12 As2.68 Cl4.8 F15.9 I12 N12 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.0464","0.0344","","","0.0891","0.117","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203603","20.4542","0.0017","20.4542","0.0017","7.2485","0.0013","90","","90","","120","","2626.3","0.6","293","","293","","","","","","","","","8","P 63/m c m","-P 6c 2","193","","","","- C25.2 H8.4 Cl2.4 F8 I6 N6 Sb1.33 Se12 -","- C25.2 H6 Cl2.4 F7.95 I6 N6 Sb1.34 Se12 -","- C50.4 H12 Cl4.8 F15.9 I12 N12 Sb2.68 Se24 -","2","0.0833333","","Imakubo, Tatsuro; Kibune, Megumi; Yoshino, Hiroko; Shirahata, Takashi; Yoza, Kenji","Hexagonal supramolecular organic conductors based on diiodo(pyrazino)tetraselenafulvalene: high yield recovery of the neutral ?-donor by a simple chemical reaction","Journal of Materials Chemistry","2006","16","42","4110","","10.1039/b611010j","","","0.71073","MoKα","","0.059","0.0426","","","0.1004","0.1285","","","","","","1.02","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203620","16.696","0.0009","15.165","0.0008","24.3472","0.0013","90","","98.486","0.001","90","","6097.1","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- dibromo-8-quinolinolate)iridium(iii) diethylether solvate","bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-dibromo-8- quinolinolate)iridium(III) diethylether solvate","","- C35 H30 Br2 Ir N3 O2 -","- C34.144 H27.86 Br2 Ir N3 O1.786 -","- C273.152 H222.88 Br16 Ir8 N24 O14.288 -","8","2","","Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian","WPLEDs prepared from main-chain fluorene?iridium(iii) polymers","Journal of Materials Chemistry","2006","16","45","4389","","10.1039/b611738d","","","0.71073","MoKα","","0.054","0.0359","","","0.0776","0.0857","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203621","16.8813","0.001","9.6871","0.0006","20.1273","0.0011","90","","105.117","0.001","90","","3177.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","bis(kappa$2!(C$2!,N)-2-phenylpyridine)(kappa$2!(N,O)-5,7- diphenyl-8-quinolinolate)iridium(iii)","bis(κ^2^(C^2^,N)-2-phenylpyridine)(κ^2^(N,O)-5,7-diphenyl-8- quinolinolate)iridium(III)","","- C43 H30 Ir N3 O -","- C43 H30 Ir N3 O -","- C172 H120 Ir4 N12 O4 -","4","1","","Kappaun, Stefan; Eder, Sabrina; Sax, Stefan; Saf, Robert; Mereiter, Kurt; List, Emil J. W.; Slugovc, Christian","WPLEDs prepared from main-chain fluorene?iridium(iii) polymers","Journal of Materials Chemistry","2006","16","45","4389","","10.1039/b611738d","","","0.71073","MoKα","","0.0297","0.0223","","","0.0485","0.0514","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7221399","5.377","","5.3437","","7.578","","90","","90","","90","","217.739","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Pr Co O3","","- Co O3 Pr -","- Co O3 Pr -","- Co4 O12 Pr4 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; Pomjakushin, V.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221400","5.20213","","5.39826","","7.42412","","90","","90","","90","","208.487","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tb Co O3","","- Co O3 Tb -","- Co O3 Tb -","- Co4 O12 Tb4 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; de la Calle, C.; Martinez-Lope, M.J.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221401","5.16983","","5.4104","","7.397","","90","","90","","90","","206.9","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Dy Co O3","","- Co Dy O3 -","- Co Dy O3 -","- Co4 Dy4 O12 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; Pomjakushin, V.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221402","5.1437","","5.4159","","7.3751","","90","","90","","90","","205.454","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Ho Co O3","","- Co Ho O3 -","- Co Ho O3 -","- Co4 Ho4 O12 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221403","5.1212","","5.4191","","7.3519","","90","","90","","90","","204.032","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Er Co O3","","- Co Er O3 -","- Co Er O3 -","- Co4 Er4 O12 -","4","0.5","","Alonso, J.A.; de la Calle, C.; Martinez-Lope, M.J.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221404","5.1049","","5.4135","","7.3282","","90","","90","","90","","202.518","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tm Co O3","","- Co O3 Tm -","- Co O3 Tm -","- Co4 O12 Tm4 -","4","0.5","","Alonso, J.A.; Pomjakushin, V.; Martinez-Lope, M.J.; de la Calle, C.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221405","5.086","","5.4147","","7.3071","","90","","90","","90","","201.231","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Yb Co O3","","- Co O3 Yb -","- Co O3 Yb -","- Co4 O12 Yb4 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; de la Calle, C.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221406","5.0667","","5.41565","","7.29356","","90","","90","","90","","200.131","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Lu Co O3","","- Co Lu O3 -","- Co Lu O3 -","- Co4 Lu4 O12 -","4","0.5","","Alonso, J.A.; Martinez-Lope, M.J.; de la Calle, C.; Pomjakushin, V.","Preparation and structural study from neutron diffraction data of R Co O3 (R = Pr, Tb, Dy, Ho, Er, Tm, Yb, Lu) perovskites","Journal of Materials Chemistry","2006","16","","1555","1560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221407","5.55902","","5.55902","","7.885","","90","","90","","90","","243.668","","","","","","","","","","","","","4","I 4/m","-I 4","87","","Sr2 Fe1.47 Te0.53 O6","","- Fe1.47 O6 Sr2 Te0.53 -","- Fe1.47 O6 Sr2 Te0.53 -","- Fe2.94 O12 Sr4 Te1.06 -","2","0.125","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150362","2020-10-21","18:00:00",""
"7221408","5.767","","5.767","","14.1998","","90","","90","","120","","408.99","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 (Fe1.99 Te1.01) O9","","- Ba3 Fe1.99 O9 Te1.01 -","- Ba3 Fe1.99 O9 Te1.01 -","- Ba6 Fe3.98 O18 Te2.02 -","2","0.0833333","","Augsburger, M.S.; Viola, M.C.; Pedregosa, J.C.; Carbonio, R.E.; Alonso, J.A.","Crystal structure and magnetism of the double perovskites Sr3 Fe2 Te O9 and Ba3 Fe2 Te O9: a neutron diffraction study","Journal of Materials Chemistry","2006","16","","4235","4242","","","","","","","","","","","","","","","","","","","","","","has coordinates","150363","2020-10-21","18:00:00",""
"7221481","5.567712","","5.567712","","22.01526","","90","","90","","120","","591.028","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Zn0.5 Ti3.5 O15","","- La5 O15 Ti3.5 Zn0.5 -","- La5 O15 Ti3.5 Zn0.5 -","- La10 O30 Ti7 Zn -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Rosseinsky, M.J.; Niu, H.J.; Claridge, J.B.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151170","2020-10-21","18:00:00",""
"7221482","5.563013","","5.563013","","21.98238","","90","","90","","120","","589.149","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Mg0.5 Ti3.5 O15","","- La5 Mg0.5 O15 Ti3.5 -","- La5 Mg0.5 O15 Ti3.5 -","- La10 Mg O30 Ti7 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Claridge, J.B.; Ibberson, R.M.; Rosseinsky, M.J.; Niu, H.J.; Iddles, D.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","151171","2020-10-21","18:00:00",""
"7221483","5.545747","","5.545747","","21.95905","","90","","90","","120","","584.877","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Ga Ti3 O15","","- Ga La5 O15 Ti3 -","- Ga1.006 La5 O15 Ti3 -","- Ga2.012 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Niu, H.J.; Allix, M.M.B.; Claridge, J.B.; Rosseinsky, M.J.; Iddles, D.M.; Ibberson, R.M.","Crstal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221484","5.519616","","5.519616","","21.97003","","90","","90","","120","","579.668","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","La5 Al Ti3 O15","","- Al La5 O15 Ti3 -","- Al La5 O15 Ti3 -","- Al2 La10 O30 Ti6 -","2","0.166667","","Kuang, X.; Allix, M.M.B.; Iddles, D.M.; Claridge, J.B.; Niu, H.J.; Rosseinsky, M.J.; Ibberson, R.M.","Crystal structure, microwave dielectric properties and AC conductivity of B-cation hexagonal perovskites La5 M(x) Ti(4-x) O15 (x = 0.5, 1; M = Zn, Mg, Ga, Al)","Journal of Materials Chemistry","2006","16","","1038","1045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221496","3.85","","3.85","","26.7861","","90","","90","","90","","397.037","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Li1.8 (V O) La2 Ti3 O10","","- La2 O10 Ti3 V -","- La2 O10 Ti3 V -","- La4 O20 Ti6 V2 -","2","0.0625","","Neiner, D.; Sweany, R.L.; Golub, V.; Wiley, J.B.","Structure and properties of mixed valence titanates, (Li(x) V O) La2 Ti3 O10","Journal of Materials Chemistry","2006","16","","186","191","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""