# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-01T13:57:12+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Materials Chemistry') AND volume = 10 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
"6000062","5.9888","","5.9916","","8.4667","","90","","90.026","","90","","303.81","","","","100","","","","","","","","","4","P 1 21/n 1","","","","","","- Ba2 Nd O6 Ru -","","","","","","Izumiyama, Y.; Doi, Y.; Wakeshima, M.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.; Morii, Y.","Magnetic and neutron diffraction studies of the ordered perovskite Ba2NdRuO6","Journal of Materials Chemistry","2000","10","","2364","2367","10.1039/b003629n","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000095","11.48","","11.48","","87.46","","90","","90","","120","","9982.15","","","","","","","","","","","","","4","R 3","","","","","","- H3 Mo12 O40 P -","","","","","","Marosi, L.; Platero, E. E.; Cifre, J.; Arean, C. O.","Thermal dehydration of H3+xPVxM12-xO40 center dot yH(2)O Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3PM12O40, of the corresponding anhydrides PM12O38.5 and of a novel trihydrate H3PW12O40 3H(2)O","Journal of Materials Chemistry","2000","10","","1949","1955","10.1039/b001476l","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000127","13.382","0.002","13.382","0.002","13.382","0.002","90","","90","","90","","2396.4","0.6","296","2","296","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Al12 Ce10 N36 O18 Si18 Sr3 -","- Al12 Ce9.96 N36 O18 Si18 Sr3.04 -","- Al24 Ce19.92 N72 O36 Si36 Sr6.08 -","2","0.0416667","","Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang","High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N","Journal of Materials Chemistry","2000","10","6","1357","1364","10.1039/a908844j","","","0.71073","MoKα","","0.0333","0.0298","","","0.0708","0.074","","","","","","1.116","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000128","13.3454","0.0006","13.3454","0.0006","13.3454","0.0006","90","","90","","90","","2376.81","0.19","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Al12 N36 O18 Pr10 Si18 Sr3 -","- Al12 N36 O18 Pr9.96 Si18 Sr3.04 -","- Al24 N72 O36 Pr19.92 Si36 Sr6.08 -","2","0.0416667","","Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang","High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N","Journal of Materials Chemistry","2000","10","6","1357","1364","10.1039/a908844j","","","0.71073","MoKα","","0.0296","0.0261","","","0.0627","0.0646","","","","","","1.093","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000129","13.3285","0.0006","13.3285","0.0006","13.3285","0.0006","90","","90","","90","","2367.79","0.18","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- Al12 N36 Nd10 O18 Si18 Sr3 -","- Al12 N36 Nd9.96 O18 Si18 Sr3.04 -","- Al24 N72 Nd19.92 O36 Si36 Sr6.08 -","2","0.0416667","","Lauterbach, Rainer; Irran, Elisabeth; Henry, Paul F.; Weller, Mark T.; Schnick, Wolfgang","High-temperature synthesis, single-crystal X-ray and neutron powder diffraction, and materials properties of Sr3Ln10Si18Al12O18N36 (Ln = Ce, Pr, Nd)—novel sialons with an ordered distribution of Si, Al, O, and N","Journal of Materials Chemistry","2000","10","6","1357","1364","10.1039/a908844j","","","0.71073","MoKα","","0.0271","0.0249","","","0.0494","0.0501","","","","","","1.117","","","","has coordinates","176428","2020-10-21","18:00:00",""
"6000518","8.8107","","10.2258","","20.9082","","90","","90","","90","","1883.75","","","","","","","","","","","","","7","P 21 21 21","","","","","","- C5 H19 F3 Ga3 N3 O12 P3 -","","","","","","Paulet, C.; Loiseau, T.; Ferey, G.","Hydrothermal synthesis (in water-dimethylformamide) and crystal structure of MIL-30, a new layered fluorinated gallium phosphate with 1,3-diaminopropane and dimethylamine as templates","Journal of Materials Chemistry","2000","10","","1225","1229","10.1039/a909315j","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000730","16.4972","","7.0673","","9.495","","90","","113.477","","90","","1015.39","","","","","","","","","","","","","6","P 1 21/c 1","","","","","","- C7 H9 Al Br O5 P -","","","","","","Chaplais, G.; Le, Bideau J; Leclercq, D.; Mutin, H.; Vioux, A.","Novel aluminium phenyl, benzyl, and bromobenzylphosphonates: structural characterisation and hydration-dehydration reactions","Journal of Materials Chemistry","2000","10","","1593","1601","10.1039/b000103l","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000731","8.979","","6.2299","","8.103","","90","","90.05","","90","","453.27","","","","","","","","","","","","","5","P 1 2/n 1","","","","","","- C4 H2 Cs O9 Y -","","","","","","Bataille, T.; Auffredic, J. P.; Louer, D.","Crystal structure and thermal behaviour of the new layered oxalate Y(H2O)Cs(C2O4)(2) studied by powder X-ray diffraction","Journal of Materials Chemistry","2000","10","","1707","1711","10.1039/b001201g","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000762","11.99","","9.496","","8.339","","90","","90","","90","","949.45","","","","","","","","","","","","","4","P 21 21 21","","","","","","- Fe2 H3 O12 V3 -","","","","","","Poizot, P.; Laruelle, S.; Touboul, M.; Louer, M.; Louer, D.","Synthesis and crystal structure of a new hydrated iron(III) vanadate Fe2(H2O)[V2O7 .VO3(OH)]","Journal of Materials Chemistry","2000","10","","1841","1845","10.1039/b000448k","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000763","3.6287","","3.6287","","19.0921","","90","","90","","120","","217.72","","","","","","","","","","","","","2","R -3 m","","","","","","- Ca2 N -","","","","","","Gregory, D. H.; Bowman, A.; Baker, C. F.; Weston, D. P.","Dicalcium nitride, Ca2N - a 2D ""excess electron"" compound; synthetic routes and crystal chemistry","Journal of Materials Chemistry","2000","10","","1635","1641","10.1039/b001911i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7203860","9.2457","0.0019","7.3465","0.0016","9.929","0.002","90","","100.702","0.005","90","","662.7","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[H3NC2H4NH2]TiOPO4","","","- C4 H18 N4 O10 P2 Ti2 -","- C4 H18 N4 O10 P2 Ti2 -","- C8 H36 N8 O20 P4 Ti4 -","2","0.5","","Zhao, Yongnan; Zhu, Guangshan; Jiao, Xiuling; Liu, Wang; Pang, Wenqin","Template synthesis and characterization of a new 2-D layered titanium phosphate","Journal of Materials Chemistry","2000","10","2","463","","10.1039/a904837e","","","0.71073","MoKα","","0.048","0.0331","","","0.0892","0.0985","","","","","","0.71","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203861","10.043","0.003","15.989","0.004","18.308","0.006","90","","90","","90","","2939.9","1.5","293","2","293","2","","","","","","","","6","P c a b","-P 2bc 2ac","61","","","","- C3 H16 Ga3 N2 O15 P3 -","- C3 Ga3 N2 O15 P3 -","- C24 Ga24 N16 O120 P24 -","8","1","","Chantal Brouca-Cabarrecq; Alain Mosset","New potential open-framework materials in gallophosphate systems. Preparation and crystal structure of [NH3(CH2)3NH3]Ga3(PO4)3(OH)2·H2O and [NH2(CH2)3NH2]Ga3(PO4)3(H2O)","J. Mater. Chem.","2000","10","2","445","450","10.1039/a905099j","","","0.7093","","","0.1277","0.0436","","0.1351","0.1164","","","","0.992","1.197","1.197","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203879","11.856","0.005","8.486","0.004","9.043","0.004","90","","106.89","0.01","90","","870.6","0.7","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 I4 N2 Pb -","- C6 H18 I4 N2 Pb -","- C12 H36 I8 N4 Pb2 -","2","0.5","","Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.","Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure","Journal of Materials Chemistry","2000","10","2","515","","10.1039/a906161d","","","0.71073","MoKα","","0.0298","0.0284","","0.0769","0.0758","","","","1.174","1.179","1.179","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203880","12.02","0.01","8.045","0.008","8.342","0.009","90","","105.66","0.03","90","","776.7","1.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H18 Br4 N2 Pb -","- C6 Br4 N2 Pb -","- C12 Br8 N4 Pb2 -","2","0.5","","Mousdis, G. A.; Papavassiliou, G. C.; Raptopoulou, C. P.; Terzis, A.","Preparation and characterization of [H3N(CH2)6NH3]PbI4 and similar compounds with a layered perovskite structure","Journal of Materials Chemistry","2000","10","2","515","","10.1039/a906161d","","","0.71073","MoKα","","0.0427","0.0333","","0.0887","0.0828","","","","1.093","1.113","1.113","","","","","has coordinates","180369","2020-10-21","18:00:00",""
"7203893","15.46","0.005","16.781","0.007","15.429","0.006","115.28","0.03","90.88","0.03","90.88","0.03","3618","3","198.2","","198.2","","","","","","","","","4","P -1","-P 1","2","","","","- C86 H80 Mn N8 -","- C86 H80 Mn N8 -","- C172 H160 Mn2 N16 -","2","1","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Miller, Joel S.; Iwasaki, Kentaro; Umishita, Kazunori; Hino, Shojun; Sakata, Yoshiteru","Structure and magnetic properties of meso-tetrakis(2,4,6-trimethylphenyl)porphyrinatomanganese(iii) 7,7,8,8-tetracyano-2,5-dimethyl-p-quinodimethanide with a 2.3 K Tc. The first example of cis coordination of a tetracyano-p-quinodimethanide","Journal of Materials Chemistry","2000","10","4","959","","10.1039/a907241a","","","0.7107","MoKα","","0.0756","0.0756","","","0.0926","0.0926","","","","","","1.384","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203910","10.337","0.002","15.297","0.0013","17.389","0.0006","90","","90","","90","","2749.6","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","N-[(2-Triphenylarsoniobenzylidene)]-1-amino-4-methoxybenzene iodide","","- C32 H27 As I N O -","- C32 H27 As I N O -","- C128 H108 As4 I4 N4 O4 -","4","1","","Allen, David W.; Mifflin, Joanne P.; Hursthouse, Michael B.; Coles, Simon; Hibbs, David E.; Malik, K. M. Abdul","A copper(i)-catalysed template synthesis of aryl-arsonium and -stibonium systems. Solvatochromic tetraaryl-arsonium and -stibonium iminophenolate betaines","Journal of Materials Chemistry","2000","10","2","457","","10.1039/a907699i","","","0.71069","MoKα","","0.0391","0.0326","","0.0766","0.0754","","","","0.881","0.947","0.947","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203911","42.77","0.003","12.461","0.0017","19.025","0.001","90","","107.861","0.005","90","","9650.8","1.6","","","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H76 N6 O10 -","- C44 H76 N6 O10 -","- C352 H608 N48 O80 -","8","1","","Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi","Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape","Journal of Materials Chemistry","2000","10","4","911","","10.1039/a907746d","","","0.71073","MoKα","","0.0674","0.0674","","","0.1848","0.1848","","","","","","1.448","","","","has coordinates","192778","2020-10-21","18:00:00",""
"7203912","9.396","0.002","10.436","0.002","14.038","0.003","113.226","0.009","96.24","0.01","94.51","0.01","1246.3","0.5","","","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 N4 O10 P2 -","- C60 H44 N4 O10 P2 -","- C60 H44 N4 O10 P2 -","1","0.5","","Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi","Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape","Journal of Materials Chemistry","2000","10","4","911","","10.1039/a907746d","","","0.71073","MoK-alpha","","","0.068","","","0.071","","","","","1.299","1.299","","","","","has coordinates","192778","2020-10-21","18:00:00",""
"7203913","8.692","0.001","12.936","0.001","16.208","0.002","97.376","0.009","96.234","0.009","103.888","0.009","1736","0.3","","","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H36 N4 O10 S32 -","- C52 H36 N4 O10 S32 -","- C52 H36 N4 O10 S32 -","1","0.5","","Nishimura, Kazukuni; Kondo, Tetsuo; Drozdova, Olga O.; Yamochi, Hideki; Saito, Gunzi","Preparation of metallic BEDT-TTF charge transfer complex of 3,3',5,5'-tetranitro-4,4'-biphenyldiol dianion (TNBP2−) having flexible molecular shape","Journal of Materials Chemistry","2000","10","4","911","","10.1039/a907746d","","","0.71073","MoK-alpha","","","0.065","","","0.063","","","","","2.308","2.308","","","","","has coordinates","192778","2020-10-21","18:00:00",""
"7203915","13.314","0.0019","13.314","0.0019","6.8188","0.0014","90","","90","","90","","1208.7","0.3","293","2","293","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","AlGe-NATROLITE","","","- Al1.87 Ge2.8 H2 Na2 O11.2 -","- Al1.865 Ge2.8 Na2 O12 -","- Al7.46 Ge11.2 Na8 O48 -","4","0.25","","Tripathi, Akhilesh; Johnson, Geoffrey M.; Jin Kim, Sun; Parise, John B.","Na2Al2Ge3O10·2H2O: an aluminogermanate with the tetranatrolite topology","Journal of Materials Chemistry","2000","10","2","451","","10.1039/a907933e","","","0.71073","MoKα","","0.0496","0.0463","","","0.1118","0.1132","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203925","12.369","0.003","13.674","0.002","12.38","0.0016","90","","90","","90","","2093.9","0.7","293","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C16 H32 Pd2 S2 -","- C16 H32 Pd2 S2 -","- C64 H128 Pd8 S8 -","4","0.5","","Singhal, A.; Jain, V. K.; Mishra, R.; Varghese, Babu","Organochalcogenido-bridged dimeric 2-methylallylpalladium complexes: synthesis, structure and their transformation into palladium chalcogenides","Journal of Materials Chemistry","2000","10","5","1121","","10.1039/a908133j","","","0.71073","MoKα","","0.0213","0.0184","","","0.0448","0.047","","","","","","1.189","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203926","8.148","0.001","15.388","0.002","22.658","0.003","96.086","0.009","96.34","0.01","95.26","0.011","2792.2","0.6","293","2","293","2","","","","","","","synthesis","4","P -1","-P 1","2","","","","- C114 H88 N40 Se6 -","- C114 H88 N40 Se6 -","- C114 H88 N40 Se6 -","1","0.5","","Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano; Cornia, Andrea; Fabretti, Antonio C.; Girlando, Alberto","Reaction of N,N'-dimethylimidazolidine-2-selone (4) with TCNQ. Characterisation and X-ray crystal structure of the mixed-valence compound 4·(TCNQ)1.167","Journal of Materials Chemistry","2000","10","6","1281","","10.1039/a908136d","","","0.71069","MoKα","","0.0849","0.0442","","","0.1006","0.1274","","","","","","1.055","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203940","10.8001","0.0009","11.016","0.0009","12.4143","0.0009","107.851","0.005","100.953","0.005","96.477","0.007","1356.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H44 Cl4 O8 -","- C66 H40 Cl4 O8 -","- C66 H40 Cl4 O8 -","1","0.5","","Baxter, Ian; Colquhoun, Howard M.; Hodge, Philip; Kohnke, Franz H.; Lewis, David F.; Williams, David J.","Macrocyclic oligomers of the aromatic polyetherketone “PK99”: synthesis, fractionation, structural characterisation and ring-opening polymerisation","Journal of Materials Chemistry","2000","10","2","309","","10.1039/a908414b","","","1.54178","CuKα","","0.0832","0.0638","","0.2081","0.1754","","","","1.042","1.092","1.092","","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203946","11.953","0.004","14.701","0.002","13.917","0.004","90","","93.77","0.02","90","","2440.2","1.1","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 Cl O4 S12 -","- C15 H8 Cl O4 S12 -","- C60 H32 Cl4 O16 S48 -","4","1","","Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.","First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF","Journal of Materials Chemistry","2000","10","3","617","","10.1039/a908843a","","","0.71073","Mo-Kα","","0.067","0.051","","0.086","0.08","","","","2.229","2.122","2.122","","","","","has coordinates","288529","2023-12-23","19:34:17",""
"7203947","11.91","0.008","14.579","0.008","13.771","0.002","90","","94.28","0.02","90","","2384","2","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 B F4 S12 -","- C15 H11.44 B F4 S12 -","- C60 H45.76 B4 F16 S48 -","4","1","","Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.","First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF","Journal of Materials Chemistry","2000","10","3","617","","10.1039/a908843a","","","0.71073","Mo-Kα","","0.065","0.048","","0.061","0.05","","","","2.354","2.012","2.012","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203948","5.417","0.007","17.75","0.01","20.71","0.01","90","","96.94","0.02","90","","1977","3","294","","294","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H4 Cu N2 S10 -","- C12 H4 Cu N2 S10 -","- C48 H16 Cu4 N8 S40 -","4","1","","Le Moustarder, S.; Hudhomme, P.; Durand, C.; Mercier, N.; Azcondo, M. T.; Delhaes, P.; Riou, A.; Gorgues, A.","First radical cation salts from the symmetrical outer S‐position isomer of BEDT-TTF","Journal of Materials Chemistry","2000","10","3","617","","10.1039/a908843a","","","0.71073","Mo-Kα","","0.203","0.056","","0.352","0.069","","","","","1.418","1.418","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203949","45.381","0.001","5.1771","0.0007","18.266","0.001","90","","106.293","0.006","90","","4119.1","0.6","298","2","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","Dibenzo[fg,ij]phenanthro[3,2,1,10,9-pqrst]pentaphene","","- C36 H18 -","- C36 H18 -","- C288 H144 -","8","1","","Kübel, Christian; Eckhardt, Karin; Enkelmann, Volker; Wegner, Gerhard; Müllen, Klaus","Synthesis and crystal packing of large polycyclic aromatic hydrocarbons: hexabenzo[bc,ef,hi,kl,no,qr]coronene and dibenzo[fg,ij]phenanthro[9,10,1,2,3-pqrst]pentaphene","Journal of Materials Chemistry","2000","10","4","879","","10.1039/a908941a","","","1.5418","CuKα","","","0.047","","","0.057","","","","","","","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203951","21.722","0.002","21.722","0.002","7.448","0.002","90","","90","","90","","3514.3","1","291.2","","293","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C92 H52 Fe2 N20 P -","- C92 H52 Fe2 N20 P -","- C184 H104 Fe4 N40 P2 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki; Otsuka, Takeo; Awaga, Kunio; Narymbetov, Bakhyt; Kobayashi, Hayao","A one-dimensional macrocyclic π‐ligand conductor carrying a magnetic center. Structure and electrical, optical and magnetic properties of TPP[Fe(Pc)(CN)2]2 {TPP = tetraphenylphosphonium and [Fe(Pc)(CN)2] = dicyano(phthalocyaninato)iron(iii)}","Journal of Materials Chemistry","2000","10","3","631","","10.1039/a909159i","","","0.7107","MoKα","","0.0358","0.0358","","","0.0385","0.0385","","","","","","2.45","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203952","5.0715","0.0006","7.5286","0.0011","9.1496","0.0011","72.441","0.003","85.679","0.002","70.48","0.002","313.8","0.07","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H14 F Fe N2 Nb O11 P2 -","- C2 H14 F Fe N2 Nb O11 P2 -","- C2 H14 F Fe N2 Nb O11 P2 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.","Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2","Journal of Materials Chemistry","2000","10","5","1203","","10.1039/a909193i","","","0.71073","MoKα","","0.049","0.0473","","0.1138","0.1131","","","","1.313","1.331","1.331","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203953","5.0469","0.0005","7.487","0.0008","9.1217","0.001","72.486","0.002","85.679","0.002","70.8","0.002","310.31","0.06","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C2 H14 Co F N2 Nb O11 P2 -","- C2 H14 Co F N2 Nb O11 P2 -","- C2 H14 Co F N2 Nb O11 P2 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.","Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2","Journal of Materials Chemistry","2000","10","5","1203","","10.1039/a909193i","","","0.71073","MoKα","","0.0599","0.0569","","0.1337","0.1323","","","","1.312","1.327","1.327","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203954","5.1584","0.001","7.4556","0.0014","9.089","0.002","63.87","0.03","80.6","0.03","69.79","0.03","294.48","0.14","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C2 H14.3 Cr0.1 F1.3 Fe0.9 N2 O10.7 P2 Ti -","- C H5 Cr0.07 F0.65 Fe0.43 N O5.35 P Ti0.5 -","- C2 H10 Cr0.14 F1.3 Fe0.86 N2 O10.7 P2 Ti -","2","1","","Wang, Xiqu; Liu, Lumei; Cheng, Heidi; Ross, Kent; Jacobson, Allan J.","Synthesis and crystal structures of [H3N(CH2)2NH3]NbMOF(PO4)2(H2O)2, M = Fe,Co and [H3N(CH2)2NH3]Ti(Fe0.9Cr0.1)(F1.3O0.7)(H0.3PO4)2(H2O)2","Journal of Materials Chemistry","2000","10","5","1203","","10.1039/a909193i","","","0.71073","MoKα","","0.1548","0.0976","","0.2413","0.2103","","","","1.076","1.186","1.186","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203958","12.432","0.001","12.893","0.001","22.148","0.002","90","","90","","90","","3550.01","","160","","0","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C168 H168 N16 O8 -","4","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","","0.0913","","","0.08","","","","","1.1412","1.1412","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203959","13.66","0.002","10.601","0.002","12.34","0.002","90","","112.086","0.011","90","","1655.83","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H40 N4 Ni O2 -","- C36 H40 N4 Ni O2 -","- C72 H80 N8 Ni2 O4 -","2","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","0.0509","0.0352","","0.0632","0.0568","","","","1.076","1.115","1.115","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203960","12.9998","0.001","16.1021","0.0016","36.377","0.003","90","","90","","90","","7614.58","","180","","180","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C88 H88 N8 Ni3 O9 -","- C88 H88 N8 Ni3 O9 -","- C352 H352 N32 Ni12 O36 -","4","1","","Averseng, Frédéric; Lacroix, Pascal G.; Malfant, Isabelle; Dahan, Françoise; Nakatani, Keitaro","Synthesis, crystal structure and solid state NLO properties of a new chiral bis(salicylaldiminato)nickel(ii) Schiff-base complex in a nearly optimized solid state environment","Journal of Materials Chemistry","2000","10","4","1013","","10.1039/a910244m","","","0.71073","MoKα","","0.1035","0.0776","","","0.1862","0.208","","","","","","1.025","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203961","17.776","0.005","18.613","0.009","10.124","0.003","90","","123.51","0.03","90","","2793","2","296.2","","296.2","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H36 Cl4 N10 O12 Zn2 -","- C27 H18 Cl2 N5 O6 Zn0.5 -","- C108 H72 Cl8 N20 O24 Zn2 -","4","1","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.7107","MoKα","","0.0356","0.036","","0.039","","0.039","","","1.436","","","1.44","","","","has coordinates","277931","2022-09-16","22:15:54",""
"7203962","11.2655","0.0006","16.7247","0.0008","9.6229","0.0004","94.18","0.003","109","1","106.026","0.003","1621","12","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 Cl2 N6 O6 Zn -","- C32 H22 Cl2 N6 O6 Zn -","- C64 H44 Cl4 N12 O12 Zn2 -","2","1","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.5608","AgKα","","0.0314","0.031","","0.046","","0.046","","","2.99","","","2.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203963","13.1589","0.0006","13.3044","0.0009","11.9989","0.0008","94.1","1","115","1","91.107","0.003","1896","16","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cl2 N2 O11 Zn -","- C12 H15.5 Cl2 N2 O11 Zn -","- C48 H62 Cl8 N8 O44 Zn4 -","4","2","","Evans, Cara C.; Masse, René; Nicoud, Jean-François; Bagieu-Beucher, Muriel","A new octupolar material for quadratic nonlinear optics: tris(2,2'-bipyridyl)Zn(ii) tetrakis(2-chloro-4-nitrophenolate)Zn(ii)","Journal of Materials Chemistry","2000","10","6","1419","","10.1039/b000417k","","","0.5608","AgKα","","0.0431","0.043","","0.052","","0.052","","","1.983","","","1.98","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203964","7.4876","0.0008","8.2336","0.0008","12.8592","0.0013","98.723","0.002","101.258","0.002","115.785","0.002","674.51","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H14 N2 O12 P3 Zn2 -","- C3 H14 N2 O12 P3 Zn2 -","- C6 H28 N4 O24 P6 Zn4 -","2","1","","Liu, Wang; Liu, Yunling; Shi, Zhan; Pang, Wenqin","Hydrothermal synthesis and characterization of a new layered zinc phosphate intercalated with fully-protonated triethylenetetramine [Zn2(HPO4)3]2−[(C6N4H22)0.5]2+","Journal of Materials Chemistry","2000","10","6","1451","","10.1039/b000658k","","","0.71073","MoKα","","0.0627","0.0596","","","0.1521","0.1548","","","","","","1.084","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203965","11.1071","0.0005","25.4188","0.0009","12.5938","0.0005","90","","96.911","0.007","90","","3529.8","0.3","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H34 Cl2 O8 -","- C42 H34 Cl2 O8 -","- C168 H136 Cl8 O32 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer","Journal of Materials Chemistry","2000","10","9","2011","","10.1039/b000738m","","","1.54178","CuKα","","0.0647","0.0514","","0.1471","0.1338","","","","1.037","1.075","1.075","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203966","8.7603","0.0005","10.1072","0.0005","14.0404","0.0008","75.262","0.004","73.004","0.005","80.202","0.004","1143.57","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C53.5 H35 Cl3 O8 -","- C53.5 H35 Cl3 O8 -","- C53.5 H35 Cl3 O8 -","1","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Williams, David J.","Cyclic oligomers of poly(ether ketone) (PEK): synthesis, extraction from polymer, fractionation, and characterisation of the cyclic trimer, tetramer and pentamer","Journal of Materials Chemistry","2000","10","9","2011","","10.1039/b000738m","","","1.54178","CuKα","","0.0815","0.0609","","0.2084","0.1741","","","","1.07","1.124","1.124","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203967","8.374","0.001","12.684","0.002","26.295","0.003","90","","96.2","0.01","90","","2776.6","0.6","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","4-bis[4',5,5'-tris(methylsulfanyl)tetrathiafulvalenyl]","","- C18 H18 S14 -","- C18 H18 S14 -","- C72 H72 S56 -","4","1","","John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.","New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies","Journal of Materials Chemistry","2000","10","6","1273","","10.1039/b000790k","","","0.71073","MoKα","","0.0465","0.042","","0.1194","0.1145","","","","1.187","1.203","1.203","","","","","has coordinates,has disorder","288193","2023-12-08","17:12:24",""
"7203968","11.074","0.003","24.139","0.007","4.876","0.002","90","","90","","90","","1303.4","0.7","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","4-bis(5-methyl-4',5'-ethylenedithiotetrathiafulvalenyl) perchlorate","","- C18 H14 Cl O4 S12 -","- C18 H14 Cl O4 S12 -","- C36 H28 Cl2 O8 S24 -","2","0.5","","John, Derek E.; Moore, Adrian J.; Bryce, Martin R.; Batsanov, Andrei S.; Leech, Michael A.; Howard, Judith A. K.","New bi(tetrathiafulvalenyl) derivatives and their radical cations: synthetic and X-ray structural studies","Journal of Materials Chemistry","2000","10","6","1273","","10.1039/b000790k","","","1.54184","CuKα","","0.1737","0.1276","","0.4067","0.3278","","","","1.063","1.098","1.098","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203970","7.234","0.001","8.999","0.001","16.907","0.002","90","","92.42","0.01","90","","1099.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O3 -","- C12 H10 N2 O3 -","- C48 H40 N8 O12 -","4","1","","Zhao, Bo; Chen, Changyun; Zhou, Zhihua; Cao, Yang; Li, Ming","A comparative study on the nonlinear optical properties of diphenyl ether and diphenyl sulfide compounds","Journal of Materials Chemistry","2000","10","7","1581","","10.1039/b000957l","","","0.71073","MoKα","","0.0577","0.0322","","","0.077","0.0834","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203971","9.929","0.002","19.549","0.004","12.1","0.002","90","","96.11","0.03","90","","2335.3","0.8","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 N2 O5 S -","- C24 H30 N2 O5 S -","- C96 H120 N8 O20 S4 -","4","1","","Ren, Yan; Fang, Qi; Yu, Wen-Tao; Lei, Hong; Tian, Yu-Peng; Jiang, Min-Hua; Yang, Qing-Chuan; Mak, Thomas C. W.","Synthesis, structures and two-photon pumped up-conversion lasing properties of two new organic salts","Journal of Materials Chemistry","2000","10","9","2025","","10.1039/b001058h","","","0.71073","MoKα","","0.0811","0.0776","","","0.2303","0.2347","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203972","9.4237","0.0008","9.6976","0.0008","13.2841","0.0009","86.655","0.006","74.064","0.005","85.891","0.007","1163.39","0.16","568","2","568","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N2 O4 S -","- C25 H30 N2 O4 S -","- C50 H60 N4 O8 S2 -","2","1","","Ren, Yan; Fang, Qi; Yu, Wen-Tao; Lei, Hong; Tian, Yu-Peng; Jiang, Min-Hua; Yang, Qing-Chuan; Mak, Thomas C. W.","Synthesis, structures and two-photon pumped up-conversion lasing properties of two new organic salts","Journal of Materials Chemistry","2000","10","9","2025","","10.1039/b001058h","","","0.71073","MoKα","","0.0842","0.0573","","","0.1575","0.1832","","","","","","0.987","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203973","9.733","0.001","20.826","0.002","25.311","0.003","74.97","0.01","83.31","0.02","89.26","0.02","4920.5","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl3 In N3 -","- C21 H27 Cl3 In N3 -","- C168 H216 Cl24 In8 N24 -","8","4","","Green, Mark; Norager, Sebastian; Moriarty, Philip; Motevalli, Majid; O'Brien, Paul","On the synthesis and manipulation of InAs quantum dots","Journal of Materials Chemistry","2000","10","8","1939","","10.1039/b001354o","","","0.71073","MoKα","","0.2443","0.0953","","","0.2874","0.3465","","","","","","0.825","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203974","19.503","0.004","10.841","0.003","24.137","0.005","90","","97.13","0.03","90","","5064","2","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","TBA[Ni(fcvdt)2](COMe2)0.5","","","- C45.5 H59 Fe2 N Ni O0.5 S8 -","- C45.5 H56 Fe2 N Ni O0.5 S8 -","- C182 H224 Fe8 N4 Ni4 O2 S32 -","4","1","","Lee, Ha-Jin; Noh, Dong-Youn","Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes","Journal of Materials Chemistry","2000","10","9","2167","","10.1039/b001829p","","","0.71073","MoKα","","0.0793","0.0772","","","0.1971","0.2003","","","","","","1.09","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203975","20.457","0.014","39.22","0.013","8.496","0.002","90","","90","","90","","6817","5","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","TBA[Ni(dfcvdt)2](COMe2)","","","- C67 H78 Fe4 N Ni O S8 -","- C67 H36 Fe4 N Ni O S8 -","- C268 H144 Fe16 N4 Ni4 O4 S32 -","4","0.5","","Lee, Ha-Jin; Noh, Dong-Youn","Syntheses, X-ray crystal structures and properties of di- and tetra-ferrocenyl nickel-bis(1,4-dithiin-5,6-dithiolate) complexes","Journal of Materials Chemistry","2000","10","9","2167","","10.1039/b001829p","","","0.71073","MoKα","","0.2474","0.1093","","","0.2571","0.3047","","","","","","1.037","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203976","6.438","0.001","19.151","0.002","3.93","0.001","92.69","0.02","95.76","0.02","93.7","0.01","480.4","0.15","293.2","","293.2","","","","","","","","","6","P 1","P 1","1","","","","- C12 H6 F2 S4 Se4 Ta0.33 -","- C12 H6 F1.98 S4 Se4 Ta0.33 -","- C12 H6 F1.98 S4 Se4 Ta0.33 -","1","1","","Fujiwara, Hideki; Misaki, Yohji; Yamabe, Tokio; Mori, Takehiko; Mori, Hatsumi; Tanaka, Shoji","Preparation, structures and physical properties of selenium analogues of DTEDT as promising donors for organic metals","Journal of Materials Chemistry","2000","10","7","1565","","10.1039/b002790l","","","0.7107","MoKα","","","0.0434","","","0.0474","","","","","2.364","2.364","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203977","9.41","","10.004","","18.881","","79.891","","85.382","","89.057","","1744.13","","120","","120","","","","","","","","","6","P -1","-P 1","2","","bismuthcalciumvanadate","","- C0 H0 Bi3.03 Ca8.97 O41 V11 -","- Bi3.035 Ca8.965 O41 V11 -","- Bi6.07 Ca17.93 O82 V22 -","2","1","","Radosavljevic, Ivana; Howard, Judith A. K.; Sleight, Arthur W.; Evans, John S. O.","Synthesis and structure of Bi3Ca9V11O41","Journal of Materials Chemistry","2000","10","9","2091","","10.1039/b002857f","","","0.71073","MoKα","","","0.0393","","","","0.0411","","","","","","0.6348","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203978","12.783","0.002","28.839","0.005","7.3919","0.0009","90","","90","","90","","2725","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 Cu2 N2 O8 -","- C26 H34 Cu2 N2 O8 -","- C104 H136 Cu8 N8 O32 -","4","1","","Royles, Brodyck J. L.; Sherrington, David C.","Mainchain optically active vinyl copolymers via transition metal complex-templated asymmetric free radical polymerisation","Journal of Materials Chemistry","2000","10","9","2035","","10.1039/b003007o","","","0.61079","","","0.0684","0.0375","","","0.089","0.0981","","","","","","1.026","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203979","8.9908","0.0005","13.2399","0.0005","15.0602","0.001","81.003","0.004","85.747","0.003","70.911","0.003","1672.79","0.16","293","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Cl O4 S16 -","- C24 H24 Cl O4 S16 -","- C48 H48 Cl2 O8 S32 -","2","1","","Li, Hongxiang; Zhang, Deqing; Zhang, Bin; Yao, Youxin; Xu, Wei; Zhu, Daoben; Wang, Zhemin","Syntheses of new electron donors with hydroxymethyl groups and studies on their cation-radical salts","Journal of Materials Chemistry","2000","10","9","2063","","10.1039/b003041o","","","0.71073","MoKα","","0.1107","0.0825","","","0.2","0.2093","","","","","","1.239","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203986","4.0251","0.0003","15.266","0.002","19.259","0.002","97.02","0.01","93.23","0.01","96.04","0.01","1165.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16.875 H12 Fe0.375 N2.25 O6.375 S6 -","- C16.875 H12 Fe0.375 N2.25 O6.375 S6 -","- C33.75 H24 Fe0.75 N4.5 O12.75 S12 -","2","1","","Zorina, Leokadiya V.; Khasanov, Salavat S.; Shibaeva, Rimma P.; Gener, Marc; Rousseau, Roger; Canadell, Enric; Kushch, Lyudmila A.; Yagubskii, Eduard B.; Drozdova, Olga O.; Yakushi, Kyuya","A new stable organic metal based on the BEDO-TTF donor and the doubly charged nitroprusside anion, (BEDO-TTF)4[Fe(CN)5NO]","Journal of Materials Chemistry","2000","10","9","2017","","10.1039/b003433i","","","0.71073","MoKα","","0.0753","0.0707","","","0.2303","0.2383","","","","","","0.999","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203987","10.245","0.0016","12.6915","0.0019","13.557","0.002","80.371","0.003","87","0.003","85.967","0.003","1732.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H29 Br6 N5 O3 -","- C33 H29 Br6 N5 O3 -","- C66 H58 Br12 N10 O6 -","2","1","","Robertson, Neil; Parsons, S.; MacLean, E. J.; Coxall, R. A.; Mount, Andrew R.","Preparation, X-ray structure and properties of a hexabrominated, symmetric indole trimer and its TCNQ adduct: a new route to functional molecular systems","Journal of Materials Chemistry","2000","10","9","2043","","10.1039/b003631p","","","0.6884","synchrotron","","0.1077","0.0654","","","0.1457","0.1581","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203988","14.455","0.003","25.371","0.005","16.719","0.003","90","","93.24","0.03","90","","6122","2","220","2","220","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H41 Br6 N11 O4 S4 -","- C54 H35 Br6 N11 O3 S3 -","- C216 H140 Br24 N44 O12 S12 -","4","1","","Robertson, Neil; Parsons, S.; MacLean, E. J.; Coxall, R. A.; Mount, Andrew R.","Preparation, X-ray structure and properties of a hexabrominated, symmetric indole trimer and its TCNQ adduct: a new route to functional molecular systems","Journal of Materials Chemistry","2000","10","9","2043","","10.1039/b003631p","","","1.54178","CuKα","","0.1807","0.0868","","","0.2021","0.2476","","","","","","0.955","","","","has coordinates,has disorder","180370","2020-10-21","18:00:00",""
"7203989","4.8898","0.0005","9.0758","0.001","9.521","0.001","88.815","0.002","78.638","0.002","78.491","0.002","405.84","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- Ba3 Nb2 O18 P4 -","- Ba3 Nb2 O18 P4 -","- Ba3 Nb2 O18 P4 -","1","0.5","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Hydrothermal synthesis and structures of Ba3(NbO)2(PO4)4 and Co3(NbO)2(PO4)4(H2O)10","Journal of Materials Chemistry","2000","10","12","2774","","10.1039/b003845h","","","0.71073","MoKα","","0.0738","0.055","","0.1428","0.133","","","","0.997","1.053","1.053","","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203990","5.1259","0.0003","11.1573","0.0008","19.1666","0.0013","90","","90.171","0.001","90","","1096.16","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Co3 F0.3 H19.7 Nb2 O27.7 P4 -","- Co3 Nb2 O28 P4 -","- Co6 Nb4 O56 P8 -","2","0.5","","Wang, Xiqu; Liu, Lumei; Jacobson, Allan J.","Hydrothermal synthesis and structures of Ba3(NbO)2(PO4)4 and Co3(NbO)2(PO4)4(H2O)10","Journal of Materials Chemistry","2000","10","12","2774","","10.1039/b003845h","","","0.71073","MoKα","","0.0687","0.0488","","0.1174","0.1096","","","","0.975","1.032","1.032","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203991","6.876","0.002","9.361","0.003","9.508","0.003","101.96","0.01","95.96","0.01","104.09","0.01","573","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","thieno[3',4'-d:5,6][1,4]dithiino[2,3-b]quinoxaline","","- C12 H6 N2 S3 -","- C12 H6 N2 S3 -","- C24 H12 N4 S6 -","2","1","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.0313","0.0286","","0.0819","0.0764","","","","1.121","1.119","1.119","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203992","8.059","0.001","12.144","0.001","22.257","0.002","76.95","0.01","85.24","0.01","79.67","0.01","2085.6","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","thieno[3',4'-d:5,6][1,4]dithiino[2,3-b]quinoxaline tetracyanoquinodimethane","","- C24 H10 N6 S3 -","- C24 H10 N6 S3 -","- C96 H40 N24 S12 -","4","2","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.106","0.0675","","","0.1594","0.1928","","","","","","1.09","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7203993","9.5292","0.0019","13.975","0.003","10.241","0.002","90","","90","","90","","1363.8","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","5,6-bis(methylsulfanyl)[1,4]dithiino[2,3-b]quinoxaline","","- C12 H10 N2 S4 -","- C12 H10 N2 S4 -","- C48 H40 N8 S16 -","4","0.5","","Skabara, Peter J.; Berridge, Rory; Prescott, Karen; Goldenberg, Leonid M.; Ortí, Enrique; Viruela, Rafael; Pou-Amérigo, Rosendo; Batsanov, Andrei S.; Howard, Judith A. K.; Coles, Simon J.; Hursthouse, Michael B.","Experimental and theoretical studies into the structural perturbations between neutral, oxidised and reduced forms of 1,4-dithiinoquinoxaline derivatives","Journal of Materials Chemistry","2000","10","11","2448","","10.1039/b003910l","","","0.71073","MoKα","","0.0518","0.0443","","","0.1085","0.1126","","","","","","0.796","","","","has coordinates","180370","2020-10-21","18:00:00",""
"7204000","9.864","0.002","12.475","0.004","8.827","0.002","107.83","0.02","93.02","0.02","102.3","0.02","1002.1","0.5","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H27 Co N11 -","- C52 H24 Co N11 -","- C52 H24 Co N11 -","1","0.5","","Matsumura, Naoko; Fujita, Akiko; Naito, Toshio; Inabe, Tamotsu","Multi-dimensional π‒π stacking interaction in neutral radical crystals obtained by electrochemical oxidation of [CoIII(2,3-Nc)(CN)2]− (2,3-Nc = 2,3-naphthalocyanine)","Journal of Materials Chemistry","2000","10","10","2266","","10.1039/b004025h","","","0.7107","MoKα","","","0.0724","","","","0.08","","","","","","3.44","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204001","10.684","0.001","15.005","0.002","8.068","0.001","92.371","0.007","95.72","0.006","70.079","0.004","1209.9","0.2","123","","","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H32 Cl4 Co N10 -","- C62 H32 Cl4 Co N10 -","- C62 H32 Cl4 Co N10 -","1","0.5","","Matsumura, Naoko; Fujita, Akiko; Naito, Toshio; Inabe, Tamotsu","Multi-dimensional π‒π stacking interaction in neutral radical crystals obtained by electrochemical oxidation of [CoIII(2,3-Nc)(CN)2]− (2,3-Nc = 2,3-naphthalocyanine)","Journal of Materials Chemistry","2000","10","10","2266","","10.1039/b004025h","","","0.7107","MoKα","","","0.0645","","","","0.045","","","","","","2.36","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204002","17.2497","0.0013","25.7851","0.0018","9.4339","0.0007","90","","103.567","","90","","4079","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C140 H141 Al12 O64 P20 -","- C142.08 H134 Al12 O64 P20 -","- C142.08 H134 Al12 O64 P20 -","1","0.25","","Zakowsky, Nadja; Hix, Gary B.; Morris, Russell E.","Synthesis of a family of aluminium benzylphosphonates","Journal of Materials Chemistry","2000","10","10","2375","","10.1039/b004177g","","","0.6944","Synchrotron","","0.1349","0.0835","","","0.1819","0.202","","","","","","1.197","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204004","20.944","0.005","9.861","0.002","9.404","0.002","90","","95.61","0.02","90","","1932.9","0.7","296.2","","296.2","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C11 H11 B F4 N O S8 -","- C11 H7 B F4 N O S8 -","- C44 H28 B4 F16 N4 O4 S32 -","4","1","","Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki","One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt","Journal of Materials Chemistry","2000","10","10","2277","","10.1039/b004557h","","","0.7107","MoKα","","","0.0557","","","0.0884","","","","","1.695","1.695","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204005","7.5773","0.0008","13.5538","0.0014","14.2164","0.0013","76.894","0.008","85.153","0.008","74.656","0.009","1370.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H11 F4 N5 O S8 -","- C23 F4 N5 O S8 -","- C46 F8 N10 O2 S16 -","2","1","","Ono, Go; Terao, Hiroshi; Higuchi, Saburo; Sugawara, Tadashi; Izuoka, Akira; Mochida, Tomoyuki","One-dimensional double chain composed of carbamoylmethylthio-substituted TTF-based donor in ion radical salt","Journal of Materials Chemistry","2000","10","10","2277","","10.1039/b004557h","","","1.54178","CuKα","","","0.0725","","","0.0765","","","","","1.797","1.797","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204006","5.1393","0.0006","6.363","0.001","11.293","0.001","95.65","0.01","96.874","0.009","92.786","0.01","364.18","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","N2H5CoPO","hydrazinium cobalt phosphate","","- Co2 H6 N2 O8 P2 -","- Co2 H6 N2 O8 P2 -","- Co4 H12 N4 O16 P4 -","2","1","","Ekambaram, Sambandan; Sevov, Slavi C.","Layered cobalt phosphate grafted with hydrazinium ligands: Co2(PO4)(H2PO4)N2H5","Journal of Materials Chemistry","2000","10","11","2522","","10.1039/b004753h","","","0.71073","MoKα","","0.0487","0.0457","","","0.1385","0.1429","","","","","","1.112","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204007","17.3514","0.0006","9.5075","0.0003","9.8065","0.0003","90","","102.682","0.002","90","","1578.3","0.09","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C2 H10 N O6 P1.5 Zn -","- C2 H10 N O6 P1.5 Zn -","- C16 H80 N8 O48 P12 Zn8 -","8","1","","Ayi, Ayi A.; Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.","Solution-mediated synthesis of a three-dimensional zinc phosphate in the presence of a monoamine","Journal of Materials Chemistry","2000","10","11","2606","","10.1039/b004972g","","","0.71073","MoKα","","0.0345","0.0266","","0.0737","0.0706","","","","1.051","1.087","1.087","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204008","16.778","0.006","14.757","0.004","5.851","0.003","90","","90","","90","","1448.7","1","293","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C7 H6 N S2 -","- C7 H6 N S2 -","- C56 H48 N8 S16 -","8","1","","McManus, Gordon D.; Rawson, Jeremy M.; Feeder, Neil; Palacio, Fernando; Oliete, Patricia","Structure and magnetic properties of a sulfur‒nitrogen radical, methylbenzodithiazolyl","Journal of Materials Chemistry","2000","10","9","2001","","10.1039/b004992l","","","0.71069","MoKα","","0.0823","0.0523","","0.1315","0.1153","","","","1.029","1.108","1.108","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204009","5.2016","0.0004","13.6024","0.0011","17.2394","0.0013","97.869","0.002","93.302","0.002","91.828","0.002","1205.29","0.16","298","","298","","","","","","","","hydrothermal reaction","6","P -1","-P 1","2","","","","- C6 H26 N2 O18.94 P4 Zn4 -","- C6 H18 N2 O18.93 P4 Zn4 -","- C12 H36 N4 O37.86 P8 Zn8 -","2","1","","Rodgers, Jennifer A.; Harrison, William T. A.","H3N(CH2)6NH3·Zn4(PO4)2(HPO4)2·3H2O: a novel three-dimensional zinc phosphate framework containing 5- and 20-rings","Journal of Materials Chemistry","2000","10","12","2853","","10.1039/b004994h","","","0.71073","MoKα","","","0.0436","","","0.0535","","","","","1.0589","1.0589","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204023","25.495","0.002","9.3495","0.0007","15.859","0.001","89","","89","","90","","3779.1","0.5","198.2","","","","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C34 H28 Mn N8 S8 -","- C34 H28 Mn N8 S8 -","- C136 H112 Mn4 N32 S32 -","4","","","Ken-ichi Sugiura; Kantaro Ushiroda; Mitchell T. Johnson; Joel S. Miller; Yoshiteru Sakata","Ferrimagnetic ordering of a methylthio-substitutedplanar porphyrin based electron transfer salt, octakis(2,3,7,8,12,13,17,18-methylthio)porphyrinatomanganese(III)tetracyanoethanide","J. Mater. Chem.","2000","10","11","2507","2514","10.1039/b006261h","","","0.7107","MoKα","","","0.0561","","","","0.0634","","","","","","1.856","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204031","14.49","0.002","8.2086","0.0008","21.994","0.003","90","","96.05","0.012","90","","2601.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 I N2 O3 -","- C26 H21 I N2 O3 -","- C104 H84 I4 N8 O12 -","4","1","","Wang, Xiao-Mei; Zhou, Yu-Fang; Yu, Wen-Tao; Wang, Chun; Fang, Qi; Jiang, Min-Hua; Lei, Hong; Wang, He-Zhou","Two-photon pumped lasing stilbene-type chromophores containing various terminal donor groups: relationship between lasing efficiency and intramolecular charge transfer","Journal of Materials Chemistry","2000","10","12","2698","","10.1039/b006764o","","","0.71073","MoKα","","0.1151","0.0629","","","0.1652","0.1991","","","","","","1.027","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204032","21.438","0.0012","14.9682","0.0011","14.0446","0.001","90","","119.257","0.004","90","","3931.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 I N2 O2 -","- C18 H27 I N2 O1.5 -","- C144 H216 I8 N16 O12 -","8","1","","Wang, Xiao-Mei; Zhou, Yu-Fang; Yu, Wen-Tao; Wang, Chun; Fang, Qi; Jiang, Min-Hua; Lei, Hong; Wang, He-Zhou","Two-photon pumped lasing stilbene-type chromophores containing various terminal donor groups: relationship between lasing efficiency and intramolecular charge transfer","Journal of Materials Chemistry","2000","10","12","2698","","10.1039/b006764o","","","0.71073","MoKα","","0.0709","0.0451","","","0.1077","0.124","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204033","4.978","0.003","12","0.01","8.189","0.006","90","","91.97","0.03","90","","488.9","0.6","160","","293","","","","","","","","Aldrich, Lancaster","6","P 1 21/m 1","-P 2yb","11","","Aluminium fluoro ethylenediphosphonate hydrate","","- C2 H4 Al2 F2 O9 P2 -","- C2 H4 Al2 F2 O9 P2 -","- C4 H8 Al4 F4 O18 P4 -","2","0.5","","Harvey, Howard G.; Teat, Simon J.; Attfield, Martin P.","Al2[O3PC2H4PO3](H2O)2F2·H2O: a novel aluminium diphosphonate","Journal of Materials Chemistry","2000","10","12","2632","","10.1039/b006851i","","","0.6942","DaresburySynchrotronradiationsource","","","0.1043","","","","0.107","","","","","","1.0801","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7204917","5.3361","0.0006","8.765","0.0008","14.952","0.001","90","","98.871","0.008","90","","690.95","0.11","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Phenazine fumaric acid","dibenzopyrazine trans-2-butenedioc acid","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C32 H24 N4 O8 -","2","0.5","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.0468","0.034","","","0.0918","0.1011","","","","","","1.043","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204918","26.833","0.026","7.095","0.004","19.613","0.027","90","","127.46","0.07","90","","2964","6","295","2","295","2","","","","","","","Aldrich","4","C 1 2/c 1","-C 2yc","15","Phenazine mesaconic acid","dibenzopyrazine trans-2-methyl-2-butenedioic acid","","- C17 H14 N2 O4 -","- C17 H14 N2 O4 -","- C136 H112 N16 O32 -","8","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.0799","0.0407","","0.1183","0.101","","","","1.014","1.085","1.085","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204919","5.513","0.002","6.733","0.002","13.026","0.007","95.32","0.03","99.39","0.04","100.24","0.03","465.7","0.3","295","2","295","2","","","","","","","Sigma-Aldrich Company Ltd.","4","P -1","-P 1","2","Phenazine bis(maleic acid)","dibenzopyrazine bis(cis-2-butenedioic acid)","","- C20 H16 N2 O8 -","- C20 H16 N2 O8 -","- C20 H16 N2 O8 -","1","0.5","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.046","0.0339","","0.0986","0.0887","","","","1.005","1.002","1.002","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204920","6.679","0.0009","18.66","0.002","8.933","0.001","90","","105.13","0.02","90","","1074.7","0.2","295","2","295","2","","","","","","","Sigma-Aldrich Company Ltd.","4","P 1 21/n 1","-P 2yn","14","Phenazine bis (citraconic acid)","dibenzopyrazine bis(cis-2-methyl-2-butenedioic acid)","","- C11 H10 N O4 -","- C11 H10 N O4 -","- C44 H40 N4 O16 -","4","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.1091","0.0393","","0.1262","0.0867","","","","0.926","0.963","0.963","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204921","5.2792","0.0004","9.057","0.001","15.054","0.001","90","","99.141","0.007","90","","710.65","0.11","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Phenazine succinic acid","dibenzopyrazine butanedioic acid","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.0456","0.0347","","","0.1011","0.1366","","","","","","1.211","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204922","5.6755","0.0005","9.997","0.002","10.866","0.001","116.611","0.01","95.117","0.011","90.044","0.01","548.44","0.14","295","2","295","2","","","","","","","","4","P -1","-P 1","2","Phenazine bis(glutaric acid)","dibenzopyrazine bis(pentanedioic acid)","","- C11 H12 N O4 -","- C11 H12 N O4 -","- C22 H24 N2 O8 -","2","1","","Batchelor, Elaine; Klinowski, Jacek; Jones, William","Crystal engineering using co‐crystallisation of phenazine with dicarboxylic acids","Journal of Materials Chemistry","2000","10","4","839","","10.1039/a908214j","","","0.71069","MoKα","","0.1099","0.0463","","","0.1078","0.1319","","","","","","0.984","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204923","27.99","0.003","7.946","0.002","13.357","0.001","90","","103.415","0.009","90","","2889.7","0.8","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 As F6 N4 O S18 -","- C52 H36 As0.5 F6 N4 O S18 -","- C104 H72 As F12 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.062","","","0.073","","","","","1.728","1.728","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204924","27.67","0.01","7.601","0.001","13.342","0.003","90","","102.05","0.03","90","","2744.3","1.3","90","","90","","","","","","","","","7","P 1 a 1","P -2ya","7","","","","- C52 H36 B F4 N4 O S18 -","- C52 H36 B F4 N4 O S18 -","- C104 H72 B2 F8 N8 O2 S36 -","2","1","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0805","","","0.0847","","","","","2.249","2.249","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204925","27.78","0.01","7.826","0.001","13.346","0.003","90","","101.99","0.02","90","","2838.2","1.3","300","","300","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 B F4 N4 O S18 -","- C52 H36 B0.5 F4 N4 O S18 -","- C104 H72 B F8 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.105","","","7654360","","","","","194189","194189","","","","","has coordinates","195719","2020-10-21","18:00:00",""
"7204926","27.866","0.001","7.926","0.001","13.3035","0.0006","90","","103.59","0.004","90","","2856","0.4","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H34 F6 N4 O P S18 -","- C52 H36 F6 N4 O P0.5 S18 -","- C104 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0773","","","0.1034","","","","","2.455","2.455","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204927","27.879","0.005","7.954","0.006","13.337","0.002","90","","103.61","0.01","90","","2874","2","296","","296","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C51 H34 F6 N4 O2 P S18 -","- C50 H36 F6 N4 O P0.5 S18 -","- C100 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0952","","","0.1175","","","","","2.344","2.344","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204928","27.665","0.002","7.781","0.002","13.3065","0.0007","90","","103.709","0.005","90","","2782.8","0.8","100","","100","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 F6 N4 O P S18 -","- C52 H36 F6 N4 O2 P0.5 S18 -","- C104 H72 F12 N8 O4 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0752","","","0.0929","","","","","2.812","2.812","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204929","27.972","0.003","7.934","0.002","13.366","0.001","90","","102.931","0.008","90","","2891.1","0.8","297","","297","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H34 F6 N4 O P S18 -","- C52 H36 F6 N4 O P0.5 S18 -","- C104 H72 F12 N8 O2 P S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0783","","","0.1031","","","","","2.132","2.132","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204930","27.712","0.002","7.787","0.002","13.3297","0.0009","90","","103.888","0.006","90","","2792.4","0.8","75","","75","","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C52 H36 As F6 N4 O S18 -","- C52 H36 As0.5 F6 N4 O S18 -","- C104 H72 As F12 N8 O2 S36 -","2","0.5","","Uruichi, Mikio; Yakushi, Kyuya; Yamashita, Yoshiro","Optical properties and metal‒insulator transitions in organic metals (BEDT-ATD)2X(solvent) (X = PF6, AsF6, BF4; solvent = THF, DHF, DO) [BEDT-ATD = 4,11-bis(4',5'-ethylenedithio-1',3'-dithiol-2'-ylidene)-4,11-dihydroanthra[2,3-c][1,2,5]thiadiazole]","Journal of Materials Chemistry","2000","10","12","2716","","10.1039/b002904l","","","0.7107","MoKα","","","0.0702","","","0.0925","","","","","2.283","2.283","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221038","5.771","","5.7801","","8.164","","90","","90.2","","90","","272.325","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Sr2 Ho Ru O6","","- Ho O6 Ru Sr2 -","- Ho O6 Ru Sr2 -","- Ho2 O12 Ru2 Sr4 -","2","0.5","","Doi, Y.; Hinatsu, Y.; Shimojo, Y.; Oikawa, K.; Morii, Y.","Magnetic and neutron diffraction study on the ordered perovskite Sr2 Ho Ru O6","Journal of Materials Chemistry","2000","10","","797","800","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221041","6.807","","11.714","","12.665","","90","","101.6","","90","","989.245","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cs (Nb6 Cl10 O2) Cl2","","- Cl12 Cs Nb6 O2 -","- Cl12 Cs0.992 Nb6 O2 -","- Cl24 Cs1.984 Nb12 O4 -","2","0.5","","Gulo, F.; Perrin, C.","The crystal structure of Cs Nb6 Cl12 O2, a novel niobium cluster oxychloride with interconnected Nb6 Cl14 O4 units","Journal of Materials Chemistry","2000","10","","1721","1724","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221043","3.8495","","3.8495","","15.3927","","90","","90","","90","","228.099","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs La2 (Ti2 Nb O10)","","- Cs La2 Nb O10 Ti2 -","- Cs La2 Nb O10 Ti2 -","- Cs La2 Nb O10 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and CsCa La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221044","3.869","","3.869","","15.235","","90","","90","","90","","228.055","","","","","","","","","","","","","6","P 4/m m m","-P 4 2","123","","Cs (Ca La) (Ti Nb2 O10)","","- Ca Cs La Nb2 O10 Ti -","- Ca Cs La Nb2 O10 Ti -","- Ca Cs La Nb2 O10 Ti -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221045","3.8376","","3.8376","","15.3015","","90","","90","","90","","225.348","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs Pr2 (Ti2 Nb O10)","","- Cs Nb O10 Pr2 Ti2 -","- Cs Nb O10 Pr2 Ti2 -","- Cs Nb O10 Pr2 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221046","3.8319","","3.8319","","15.2764","","90","","90","","90","","224.31","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs Nd2 (Ti2 Nb O10)","","- Cs Nb Nd2 O10 Ti2 -","- Cs Nb Nd2 O10 Ti2 -","- Cs Nb Nd2 O10 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221047","3.8195","","3.8195","","15.2371","","90","","90","","90","","222.288","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Cs Sm2 (Ti2 Nb O10)","","- Cs Nb O10 Sm2 Ti2 -","- Cs Nb O10 Sm2 Ti2 -","- Cs Nb O10 Sm2 Ti2 -","1","0.0625","","Hong, Y.-S.; Kim, S.-J.; Choy, J.-H.","B-site cation arrangement and crystal structure of layered perovskite compounds Cs Ln2 Ti2 Nb O10 (Ln = La, Pr, Nd, Sm) and Cs Ca La Ti Nb2 O10","Journal of Materials Chemistry","2000","10","","1209","1214","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221067","15.875","","15.875","","20.752","","90","","90","","120","","4529.16","","","","","","","","","","","","","2","R 3 :H","R 3","146","","H3 (P Mo12 O40)","","- Mo12 P -","- Mo12 P -","- Mo72 P6 -","6","0.666667","","Marosi, L.; Escalona Platero, E.; Cifre, J.; Otero Arean, C.","Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40","Journal of Materials Chemistry","2000","10","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221068","11.75","","11.75","","11.75","","90","","90","","90","","1622.23","","","","","","","","","","","","","4","P n -3 m :2","-P 4bc 2bc 3","224","","H3 (P W12 O40) (H2 O)3","","- H9 O43 P W12 -","- O43 P W12 -","- O86 P2 W24 -","2","0.0416667","","Marosi, L.; Otero Arean, C.; Escalona Platero, E.; Cifre, J.","Thermal dehydration of H3+x P Vx M12-x O40 . y(H2 O) Keggin type heteropolyacids; formation, thermal stability and structure of the anhydrous acids H3 P M12 O40, of the corresponding anhydrides P M12 O38.5 and of a novel trihydrate H3 P W12 O40","Journal of Materials Chemistry","2000","10","","1949","1955","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221069","16.5779","","9.8223","","13.8562","","90","","90","","90","","2256.25","","","","","","","","","","","","","7","P n a 21","P 2c -2n","33","","(Ga16 P16 O60 (O H)2 F6 O4) (H2 ((C H3)2 N) (C H2)3 (N (C H3)2))4","","- C28 H82 F6 Ga16 N8 O66 P16 -","- C28 F6 Ga16 N8 O66 P16 -","- C28 F6 Ga16 N8 O66 P16 -","1","0.25","","Matijasic, A.; Patarin, J.; Paillaud, J.L.","Synthesis, characterisation and structure determination of Mu-15: anew fluorogallophosphate with fluoride as a specific template of the D4R units","Journal of Materials Chemistry","2000","10","","1345","1351","","","","","","","","","","","","","","","","","","","","","","has coordinates","141047","2020-10-21","18:00:00",""
"7221070","8.608","","12.215","","8.929","","90","","90","","90.76","","938.772","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Li3 Fe2 (As O4)3","","- As3 Fe2 Li3 O12 -","- As3 Fe2 Li3 O12 -","- As12 Fe8 Li12 O48 -","4","1","","Mesa, J.L.; Moreno, N.O.; Goni, A.; Brandl, A.L.; Barberis, G.E.; Rojo, T.","Structure and magnetic properties of Li3 Fe2 (As O4)3-x (P O4)x (x=0, 1, 1.5, 2): two sublattice weak ferromagnets","Journal of Materials Chemistry","2000","10","","2779","2785","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221071","15.777","","4.1669","","17.358","","90","","99.249","","90","","1126.3","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","K0.66 Sn4.82 Bi11.18 Se22","","- Bi11.18 K0.66 Se22 Sn4.82 -","- Bi11.18 K0.66 Se22 Sn4.82 -","- Bi11.18 K0.66 Se22 Sn4.82 -","1","0.25","","Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.","Structure and thermoelectric properties of the new quaternary tin selenide K1-x Sn5-x Bi11+x Se22","Journal of Materials Chemistry","2000","10","","1667","1672","","","","","","","","","","","","","","","","","","","","","","has coordinates","141087","2020-10-21","18:00:00",""
"7221080","8.1379","","8.1379","","8.1379","","90","","90","","90","","538.936","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 Co Mn3 O8","","- Co Li2 Mn3 O8 -","- Co Li2 Mn3 O8 -","- Co4 Li8 Mn12 O32 -","4","0.0208333","","Strobel, P.; Ibarra Palos, A.; Anne, M.; le Cras, F.","Structural, magnetic and lithium insertion properties of spinel-type Li2 Mn3 M O8 oxides (M= Mg, Co, Ni, Cu)","Journal of Materials Chemistry","2000","10","","429","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221081","8.1888","","8.1888","","8.1888","","90","","90","","90","","549.112","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 Cu Mn3 O8","","- Cu Li2 Mn3 O8 -","- Cu Li2 Mn3 O8 -","- Cu4 Li8 Mn12 O32 -","4","0.0208333","","Strobel, P.; Ibarra Palos, A.; Anne, M.; le Cras, F.","Structural, magnetic and lithium insertion properties of spinel-type Li2 Mn3 M O8 oxides (M = Mg, Co, Ni, Cu)","Journal of Materials Chemistry","2000","10","","429","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221098","7.9734","","7.9734","","13.8178","","90","","90","","90","","878.468","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba La2 Mn S5 -","- Ba La2 Mn S5 -","- Ba4 La8 Mn4 S20 -","4","0.125","","Wakeshima, M.; Hinatsu, Y.; Oikawa, K.; Shimojo, Y.; Morii, Y.","Crystal and magnetic structure of the antiferromagnetic manganese sulfide Ba La2 Mn S5 by powder neutron diffraction measurements","Journal of Materials Chemistry","2000","10","","2183","2185","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221099","3.83382","","3.83382","","28.52129","","90","","90","","90","","419.211","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Ru Sr2 (Gd1.3 Ce0.7) Cu2 O9.8","","- Ce0.7 Cu2 Gd1.3 O9.8 Ru Sr2 -","- Ce0.7 Cu2 Gd1.3 O9.8 Ru Sr2 -","- Ce1.4 Cu4 Gd2.6 O19.6 Ru2 Sr4 -","2","0.0625","","Knee, C.S.; Rainford, B.D.; Weller, M.T.","Crystal structure of the ferromagnetic superconductor Ru Sr2 (Gd1.3 Ce0.7) Cu2 O10-d by powder neutron diffraction","Journal of Materials Chemistry","2000","10","","2445","2447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221100","3.84237","","3.84237","","28.58029","","90","","90","","90","","421.954","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","Ru Sr2 (Gd1.3 Ce0.7) Cu2 O9.74","","- Ce0.7 Cu2 Gd1.3 O9.74 Ru Sr2 -","- Ce0.7 Cu2 Gd1.3 O9.74 Ru Sr2 -","- Ce1.4 Cu4 Gd2.6 O19.48 Ru2 Sr4 -","2","0.0625","","Knee, C.S.; Rainford, B.D.; Weller, M.T.","Crystal structure of the ferromagnetic superconductor Ru Sr2 (Gd1.3 Ce0.7) Cu2 O10-d by powder neutron diffraction","Journal of Materials Chemistry","2000","10","","2445","2447","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221101","22.058","","3.6078","","9.3619","","90","","90","","90","","745.028","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Na1.29 (V3 O8) (H2 O)0.64","","- H1.28 Na1.29 O8.64 V3 -","- Na1.29 O8.64 V3 -","- Na5.16 O34.56 V12 -","4","0.5","","Legagneur, V.; le Gal la Salle, A.; Verbaere, A.; Guyomard, D.; Piffard, Y.","New layered vanadium oxides My H1-y V3 O8 . n(H2 O) (M = Li, Na, K)obtained by oxidation of the precursor H2 V3 O8","Journal of Materials Chemistry","2000","10","","2805","2810","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221103","6.4655","","11.545","","12.9333","","90","","105.04","","90","","932.326","","","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(Na0.5 K0.5) K (Sn Si3 O9) (H2 O)","","- H2 K1.5 Na0.5 O10 Si3 Sn -","- K1.5 Na0.5 O10 Si3 Sn -","- K6 Na2 O40 Si12 Sn4 -","4","1","","Lin, Z.; Rocha, J.; Pedrosa de Jesus, J.D.; Ferreira, A.","Synthesis and structure of a novel microporous framework stannosilicate","Journal of Materials Chemistry","2000","10","","1353","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221104","11.739","","11.739","","11.739","","90","","90","","90","","1617.68","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","Th Er2 F10 (H2 O)","","- Er2 F10 H2 O Th -","- Er2.001 F10 O Th0.999 -","- Er16.008 F80 O8 Th7.992 -","8","0.0416667","","le Berre, F.; Boucher, E.; Allain, M.; Courbion, G.","Synthesis, stability and zeolitic behaviour of delta-(A Ln3 F10).x(H2 O) and gamma-(Th Ln2 F10).(H2 O) phases (Ln=lanthanide)","Journal of Materials Chemistry","2000","10","","2578","2586","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""