# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-17T13:55:52+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'C 1 m 1' 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
"1000145","6.3089","0.0004","20.10379","0.0008","5.1172","0.0005","90","","91.134","0.006","90","","648.9","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Pentasodium phyllo-triphosphatodivanadate(IV) hydrate","","- H2 Na5 O15 P3 V2 -","- H2 Na5 O15 P3 V2 -","- H4 Na10 O30 P6 V4 -","2","0.5","","Le Bail, A","On the structure of Na5 V2 P3 O14 . (H2 O)","Journal of Solid State Chemistry","1993","102","","281","282","10.1006/jssc.1993.1033","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","279153","2022-11-09","14:45:24",""
"1000472","6.3089","0.0004","20.10379","0.0008","5.1172","0.0005","90","","91.134","0.006","90","","648.9","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Pentasodium phyllo-triphosphato(V)divanadate(IV) hydrate","","- H2 Na5 O15 P3 V2 -","- H3 Na5 O15 P3 V2 -","- H6 Na10 O30 P6 V4 -","2","0.5","","Benhamada, L; Grandin, A; Borel, M M; Leclaire, A; Leblanc, M; Raveau, B","Na5 V2 P3 O14 . H2 O, a tetravalent vanadium phosphate with alayer structure and a pure pyramidal coordination of V(IV)","Journal of Solid State Chemistry","1992","96","","390","396","10.1016/S0022-4596(05)80273-7","","","","","","0.049","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001332","12.023","0.005","11.723","0.005","8.435","0.004","90","","128.77","0.02","90","","926.9","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Neptunium(IV) 12-fluoride hydrate","","- F12 H2 Np3 O -","- F12 H2.5 Np3 O -","- F48 H10 Np12 O4 -","4","1","","Cousson, A; Gasperin, M","Nouvelle description du tetrafluorure de neptunium hydrate, Np~3~ F~12~ H~2~ O","Acta Crystallographica C (39,1983-)","1985","41","","804","805","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001668","10.41","0.003","20.5","0.006","19.48","0.005","90","","98.8","0.1","90","","4108.2","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","Carbon cyclo-octasulfur (76.6/6)","","- C76.039 S48 -","- C76.59 S48 -","- C153.18 S96 -","2","0.5","","Michel, R H; Kappes, M M; Adelmann, P; Roth, G","Preparation and Crystal Structure of C76(S8)6: A First Step towards the Crystallography of Higher Fullerenes","Angewandte Chemie (German Edition)","1994","106","","1742","1746","","","","","","","0.0634","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001719","4.95","","25.18999","","11.66","","90","","97.76","","90","","1440.6","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Thallium strontium cobalt oxide (0.41/1/1/3.11)","","- Co O3.111 Sr0.9999 Tl0.41 -","- Co O3.11111 Sr Tl0.41 -","- Co18 O56 Sr18 Tl7.38 -","18","4.5","","Boullay, P; Domenges, B; Hervieu, M; Groult, D; Raveau, B","Evidence for the first misfit layer oxide Tl0.41 (Sr0.9 O)1.12 Co O2","Chemistry of Materials (1,1989-","1996","8","","1482","1489","10.1021/cm9601446","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008044","14.08","","8.137","","28.28","","90","","109.45","","90","","3055.1","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium trierbium fluoride - $-beta","","- Er3 F10 K -","","","16","4","","Aleonard, S; le Fur, Y; Pontonnier, L; Gorius, M F; Roux, M T","Quelques Fluorures Mixtes Terre Rare - Metal Alcalin de Structures derivees de celle de la Fluorine","Annales de Chimie (Paris) (Vol=Year)","1978","1978","","417","427","","","","","","","","","","","","","","","","","","","","","","","130149","2020-10-21","18:00:00",""
"1008837","14.287","0.006","8.004","0.003","11.95","0.004","90","","125.33","0.03","90","","1114.9","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium diholmium fluoride","","- F7 Ho2 K -","- F7 Ho2 K -","- F56 Ho16 K8 -","8","2","","le Fur, Y.; Aléonard, S.; Gorius, M. F.; Roux, M. T.","Structure des phases de type α-KEr~2~F~7~","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1982","38","5","1431","1436","10.1107/S0567740882006098","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","200141","2020-10-21","18:00:00",""
"1010268","4.45","","4.99","","7.31","","90","","114.83","","90","","147.3","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Potassium nitrate(III)","","- K N O2 -","- K N O2 -","- K2 N2 O4 -","2","0.5","","Ziegler, G E","The Crystal Structure of Potassium Nitrite, K N O~2~","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1936","94","","491","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011246","5.2","","8.92","","10.25","","90","","100","","90","","468.2","","","","","","","","","","","","from Toller Graben, Elbingerode, Harz, Germany","4","C 1 m 1","C -2y","8","","Aluminium silicate hydroxide *","Halloysite","- Al2 H8 O11 Si2 -","- Al2 H8 O11 Si2 -","- Al4 H16 O22 Si4 -","2","0.5","","Mehmel, M","Ueber die Struktur von Halloysit und Metahalloysit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011247","5.15","","8.9","","7.57","","90","","100","","90","","341.7","","","","","","","","","","heating halloysite to 378 K","","by heating halloysite to 378 K","4","C 1 m 1","C -2y","8","","Aluminium silicate hydroxide *","Metahalloysite","- Al2 H4 O9 Si2 -","- Al2 H4 O9 Si2 -","- Al4 H8 O18 Si4 -","2","0.5","","Mehmel, M","Ueber die Struktur von Halloysit und Metahalloysit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501501","5.6968","0.0003","5.682","0.0004","4.0132","0.0003","90","","90.125","0.008","90","","129.904","0.015","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501502","5.7025","0.0003","5.6778","0.0003","4.0087","0.0002","90","","90.24","0.006","90","","129.791","0.012","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501503","5.7022","0.0003","5.6815","0.0004","4.0167","0.0003","90","","90.248","0.005","90","","130.128","0.015","","","80","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501504","5.6987","0.0005","5.687","0.006","4.0211","0.0004","90","","90.135","0.008","90","","130.32","0.14","","","300","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501505","5.6969","0.0006","5.6889","0.0005","4.0215","0.0001","90","","90.109","0.001","90","","130.333","0.018","","","350","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501506","5.6952","0.0006","5.6903","0.0008","4.022","0.0001","90","","90.083","0.001","90","","130.34","0.02","","","375","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.25 Nb0.5 O3 Pb Ti0.25 -","- Mg0.5 Nb O6 Pb2 Ti0.5 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai; Zaharko, Oksana","Powder neutron diffraction study of phase transitions in and a phase diagram of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3","Physical Review B","2006","74","","1","18","10.1103/PhysRev.74.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1501512","5.6951","0.0002","5.6813","0.0002","4.0138","0.0001","90","","90.136","0.003","90","","129.868","0.007","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.237 Nb0.473 O3 Pb Ti0.29 -","- Mg0.474 Nb0.946 O6 Pb2 Ti0.58 -","2","0.5","","Singh, Akhilesh Kumar; Pandey, Dhananjai","Evidence for MB and MC phases in the morphotropic phase boundary region of (1-x)[Pb(Mg1/3Nb2/3)O3]-xPbTiO3: a Rietveld study","Physical Review B","2003","67","6","1","12","10.1103/PhysRev.67.1","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510885","8.063","","15.995","","3.5231","","90","","101.15","","90","","445.79","","","","","","","","","","","","","7","C 1 m 1","C -2y","8","","(Y0.60 Yb0.136 Er0.015 Ce0.03 Ca0.219) (Ca0.89 Y0.075 Yb0.032 Er0.003)2 Ca2 O (B O3)3","","- B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 -","- B3 Ca3.999 Ce0.03 Er0.021 O10 Y0.75 Yb0.2 -","- B6 Ca7.998 Ce0.06 Er0.042 O20 Y1.5 Yb0.4 -","2","0.5","","Chizhikov, V.I.; Yu, Y.M.; Kuz'micheva, G.M.; Ageev, A.Yu.; Panyutin, V.L.; Rybakov, V.B.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510886","8.065","","15.998","","3.5243","","90","","101.17","","90","","446.105","","","","","","","","","","","","","6","C 1 m 1","C -2y","8","","(Y0.584 Yb0.17 Er0.015 Ca0.231) (Ca0.884 Y0.073 Yb0.04 Er0.003)2 Ca2 O (B O3)3","","- B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 -","- B3 Ca3.999 Er0.021 O10 Y0.73 Yb0.25 -","- B6 Ca7.998 Er0.042 O20 Y1.46 Yb0.5 -","2","0.5","","Chizhikov, V.I.; Panyutin, V.L.; Kuz'micheva, G.M.; Ageev, A.Yu.; Rybakov, V.B.; Yu, Y.M.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510887","8.183","","16.11","","3.623","","90","","101.36","","90","","468.256","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","La Ca4 O (B O3)3","","- B3 Ca4 La O10 -","- B3 Ca4 La O10 -","- B6 Ca8 La2 O20 -","2","0.5","","Belokoneva, E.L.; Mill', B.V.; Ershova, G.I.","Crystallization and crystal structure of La Ca4 O (B O3)3","Zhurnal Neorganicheskoi Khimii","2003","48","","5","7","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510888","8.055","","15.986","","3.511","","90","","101.12","","90","","443.614","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Lu Ca4 O (B O3)3","","- B3 Ca4 Lu O10 -","- B3 Ca4 Lu O10 -","- B6 Ca8 Lu2 O20 -","2","0.5","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2","Zhurnal Neorganicheskoi Khimii","1993","38","","917","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510889","8.089","","16.034","","3.5511","","90","","101.24","","90","","451.74","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Tb Ca4 O (B O3)3","","- B3 Ca4 O10 Tb -","- B3 Ca4 O10 Tb -","- B6 Ca8 O20 Tb2 -","2","0.5","","Dzhurinskii, B.F.; Ilyukhin, A.B.","Crystal structures of double oxoborates Ln Ca4 O (B O3)3 (Ln= Gd, Tb, Lu) and Eu2 Ca O (B O3)2","Zhurnal Neorganicheskoi Khimii","1993","38","","917","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510890","8.062","","15.996","","3.524","","90","","101.16","","90","","445.861","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","(Y0.680 Yb0.102 Ca0.218) (Ca0.891 Y0.085 Yb0.024)2 Ca2 O (B O3)3","","- B3 Ca4 O10 Y0.85 Yb0.15 -","- B3 Ca4 O10 Y0.85 Yb0.15 -","- B6 Ca8 O20 Y1.7 Yb0.3 -","2","0.5","","Chizhikov, V.I.; Kuz'micheva, G.M.; Yu, Y.M.; Panyutin, V.L.; Rybakov, V.B.; Ageev, A.Yu.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510891","8.069","","16.005","","3.5275","","90","","101.17","","90","","446.927","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","(Y0.792 Ca0.208) (Ca0.938 Y0.062)2 Ca2 O0.96 (B O3)3","","- B3 Ca4.084 O9.96 Y0.916 -","- B3 Ca4.084 O9.96 Y0.916 -","- B6 Ca8.168 O19.92 Y1.832 -","2","0.5","","Yu, Y.M.; Ageev, A.Yu.; Kuz'micheva, G.M.; Panyutin, V.L.; Chizhikov, V.I.; Rybakov, V.B.","Growth and X-ray diffraction study of Y Ca4 O (B O3)3: Ce,Er,Yb crystals","Neorganicheskie Materialy","2001","37","","1235","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511069","9.774","","12.688","","4.9057","","90","","119.749","","90","","528.19","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Co3 (B P O7)","","- B Co3 O7 P -","- B Co3 O7 P -","- B4 Co12 O28 P4 -","4","1","","Kniep, R.; Kizilyalli, M.; Stucky, G.D.; Yilmaz, A.; Bu Xianhui","Cobalt borate phosphate, Co3 (B P O7), synthesis and characterization","Journal of Solid State Chemistry","2001","156","","281","285","10.1006/jssc.2000.8963","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511425","16.2878","","41.617","","9.7876","","90","","109.592","","90","","6250.41","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","K8 (B12 (B Se3)6)","","- B18 K8 Se18 -","- B18 K8 Se18 -","- B108 K48 Se108 -","6","1.5","","Hammerschmidt, A.; Krebs, B.; Doech, M.; Lindemann, A.","K8 (B12 (B Se3)6): a novel selenoborato-closo- dodecaborate with different anion substitution patterns","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1249","1255","10.1002/zaac.200300052","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511697","18.1662","","3.6516","","13.9775","","90","","119.75","","90","","805","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Y16.86 (B O3)4 (B2 O5)2 O16","","- B8 O38 Y16.86 -","- B8 O38 Y16.864 -","- B8 O38 Y16.864 -","1","0.25","","You, L.-P.; Su, M.-Z.; Zhou, S.; Yang, L.-Q.; Lin, J.-H.; Yao, G.-Q.","Structure and luminescent properties of Y17.33 (B O3)4 (B2 O5)2 O16","Journal of Solid State Chemistry","1997","134","","158","163","10.1006/jssc.1997.7567","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518091","27.733","0.013","4.177","0.004","13.286","0.007","90","","107.9","0.2","90","","1465","2","","","293","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- Bi7 Cs3 Se12 -","- Bi7 Cs3 Se12 -","- Bi14 Cs6 Se24 -","2","0.5","","Cordier, Gerhard; Schafer, Herbert; Schwidetzky, Christoph","0n Cs3Bi7Se12, a new layer selenidobismutate (III)","Revue de Chimie Minerale","1985","22","","676","683","","","x-ray","0.71069","MoKα","","","","","","0.091","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518112","14.051","0.003","8.106","0.003","8.389","0.002","90","","90","0.03","90","","955.5","0.5","","","293","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- F11 O Tl U3 -","- F11 O Tl U3 -","- F44 O4 Tl4 U12 -","4","1","","Hsini, Sifeddine; Caignol, Elisabeth; Metin, Jacques; Avignant, Daniel; Cousseins, Jean-Claude","Structure cristalline de l'oxyfluorure TlU3OF11","Revue de Chimie Minerale","1986","23","","35","47","","","x-ray","0.71069","MoKα","","","0.06","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1521045","5.76907","","5.74266","","4.089","","90","","90.497","","90","","135.463","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Zr0.54 Ti0.46) O3","","- O3 Pb Ti0.46 Zr0.54 -","- O3 Pb Ti0.46 Zr0.54 -","- O6 Pb2 Ti0.92 Zr1.08 -","2","0.5","","Frantti, J.; Rundlof, H.; Lappalainen, J.; Ivanov, S.; Eriksson, S.; Lantto, V.; Nishio, S.; Kakihana, M.","Neutron diffraction studies of Pb (Zrx Ti1-x) O3 ceramics","Japanese Journal of Applied Physics, Part 1","2000","39","","5697","5703","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521480","5.674","","5.663","","4.013","","90","","89.84","","90","","128.945","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Fe0.5 Nb0.5) O3","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","- Fe Nb O6 Pb2 -","2","0.5","","Lampis, N.; Geddo Lehmann, A.; Sciau, P.","Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3","Journal of Physics: Condensed Matter","1999","11","","3489","3500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521482","5.6687","","5.661","","4.0083","","90","","89.853","","90","","128.628","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Fe0.5 Ta0.5) O3","","- Fe0.5 O3 Pb Ta0.5 -","- Fe0.5 O3 Pb Ta0.5 -","- Fe O6 Pb2 Ta -","2","0.5","","Lampis, N.; Sciau, P.; Geddo Lehmann, A.","Rietveld refinement of the paraelectric and ferroelectric structures of Pb Fe0.5 Ta0.5 O3","Journal of Physics: Condensed Matter","2000","12","","2367","2378","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522870","16.396","","3.594","","8.386","","90","","101.88","","90","","483.579","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Al3 Mo -","- Al3 Mo -","- Al24 Mo8 -","8","2","","Schuster, J.C.; Ipser, H.","The Al - Al8 Mo3 section of the binary system aluminum- molybdenum","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1991","22","","1729","1738","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524390","11.78","","3.691","","8.876","","90","","111.8","","90","","358.329","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu0.85 V2 O5","","- Cu0.85 O5 V2 -","- Cu0.855 O5 V2 -","- Cu3.42 O20 V8 -","4","1","","Galy, J.; Lavaud, D.; Casalot, A.; Hagenmuller, P.","Bronzes oxygenes de vanadium de formule Cux V2 O5: Structure cristalline des phases Cux V2 O5 -beta et Cux V2 O5 - epsilon","Journal of Solid State Chemistry","1970","2","","531","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","145144","2020-10-21","18:00:00",""
"1524991","6.497","","6.414","","6.601","","90","","93.23","","90","","274.638","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Mg2 Ni H4","","- H4 Mg2 Ni -","- Mg2 Ni -","- Mg8 Ni4 -","4","1","","Noreus, D.; Werner, P.E.","The crystal structure of the low temperature phase Mg2 Ni H4 (LT)","Materials Research Bulletin","1981","16","","199","206","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525908","5.7154","","5.704","","4.1378","","90","","90.493","","90","","134.89","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Zr0.52 Ti0.48) O3","","- O3 Pb Ti0.48 Zr0.52 -","- O3 Pb Ti0.48 Zr0.52 -","- O6 Pb2 Ti0.96 Zr1.04 -","2","0.5","","Dmowski, W.; Egami, T.; Davies, P.K.; Farber, L.","Structure of Pb (Zr, Ti) O3 near the morphotropic phase boundary","AIP Conference Proceedings","2001","582","","33","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526149","5.72204","","5.70957","","4.13651","","90","","90.498","","90","","135.136","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb ((Zr0.52 Ti0.48) O3)","","- O3 Pb Ti0.48 Zr0.52 -","- O3 Pb Ti0.48 Zr0.52 -","- O6 Pb2 Ti0.96 Zr1.04 -","2","0.5","","Noheda, B.; Gonzalo, J.A.; Cross, L.E.; Shirane, G.; Park, S.-E.; Guo, R.; Cox, D.E.","Tetragonal-to-monoclinic phase transition in a ferroelectric perovskite: the structure of Pb Zr0.52 Ti0.48 O3","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","2000","61","","8687","8695","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526328","14.365","","13.887","","7.814","","90","","117.36","","90","","1384.42","","","","","","","","","","","","","9","C 1 m 1","C -2y","8","","K3.1 Ca1.2 Ba0.2 (Mn1.78 (H2 O)3.6) (Ti4 (Ti3.8 Nb0.2) (O1.66 (O H)6.34)) (Si4 O12)4 (H2 O)6.2","","- Ba0.2 Ca1.2 H25.94 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","- Ba0.2 Ca1.2 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","- Ba0.2 Ca1.2 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","1","0.25","","Rastsvetaeva, R.K.; Pekov, I.V.; Nekrasov, Yu.V.","Crystal structure and microtwinning of a calcium-rich analog of labuntsovite","Kristallografiya","2001","46","","415","417","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526403","15.309","","3.61","","7.335","","90","","101.84","","90","","396.748","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu2.324 V4 O11","","- Cu2.324 O11 V4 -","- Cu2.324 O11 V4 -","- Cu4.648 O22 V8 -","2","0.5","","Rozier, P.; Satto, C.; Galy, J.","The vanadium oxide bronze Cu2.33-x V4 O11. Solid state chemistry, XRD","Solid State Sciences","2000","2","","595","605","","","","","","","","","","","","","","","","","","","","","","has coordinates","147582","2020-10-21","18:00:00",""
"1526666","6.773","","20.866","","6.551","","90","","102.98","","90","","902.167","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","(Y (N4 C2 H O3)2 (N O3) (H2 O)5) (H2 O)2","","- C4 H16 N9 O16 Y -","- C4 H16 N9 O16 Y -","- C8 H32 N18 O32 Y2 -","2","0.5","","Song, J.; Kang, B.; Ning, B.; Hu, R.","Preparation, crystal structure and thermal decomposition process of (Y (NTO)2 NO3 (H2 O)5) * 2(H2 O)","Thermochimica Acta","2000","352","","111","115","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526858","18.46799","","31.97029","","16.67589","","90","","90","","90","","9845.9","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al72 O288 P72 -","72","18","","de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C.","Characterization and structural analysis of differently prepared samples of dehydrated VPI-5","Microporous and Mesoporous Materials","2000","34","","99","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526859","18.52179","","32.12469","","8.40026","","90","","90","","90","","4998.21","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Al (P O4)","","- Al O4 P -","- Al O4 P -","- Al36 O144 P36 -","36","9","","de Onate Martinez, J.; McCusker, L.B.; Baerlocher, C.","Characterization and structural analysis of differently prepared samples of dehydrated VPI-5","Microporous and Mesoporous Materials","2000","34","","99","113","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528301","14.088","","8.1378","","28.28","","90","","109.27","","90","","3060.52","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","K Er3 F10","","- Er3 F10 K -","- Er3 F10 K -","- Er48 F160 K16 -","16","4","","Aleonard, S.; Guitel, J.C.; Roux, M.T.","Structure cristalline de la phase beta-K Er3 F10","Journal of Solid State Chemistry","1978","24","","331","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529027","10.43638","","15.01832","","8.85531","","90","","105.739","","90","","1335.92","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Si6 O12 (C3 D6)0.45","","- C1.35 D2.7 O12 Si6 -","- C1.35 D2.7 O12 Si6 -","- C5.4 D10.8 O48 Si24 -","4","1","","Yang, X.; Toby, B.H.; Camblor, M.A.; Lee, Y.; Olson, D.H.","Propene adsorption sites in zeolite ITQ-12: a combined synchrotron x-ray and neutron diffraction study","J. Phys. Chem. B","2005","109","","7894","7899","","","","","","","","","","","","","","","","","","","","","","has coordinates","151947","2020-10-21","18:00:00",""
"1529433","8.7355","0.0003","8.6901","0.0004","6.1569","0.0003","90","","135.167","0.003","90","","329.53","0.03","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- F3 K3 O3 W -","- F3 K3 O3 W -","- F6 K6 O6 W2 -","2","0.5","","M.S. Molokeev; S.V. Misyul; V.D. Fokina; A.G. Kocharova; K.S. Aleksandrov","Structure transformations during phase transitions in the K3WO3F3 oxyfluoride","Physics of the Solid State","2011","53","4","834","839","10.1134/S1063783411040251","","","","","","","","","","","","","","","","","","","","","has coordinates,has Fobs","176429","2020-10-21","18:00:00",""
"1529566","11.927","","5.67","","4.828","","90","","109.26","","90","","308.225","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Li Cs S O3 (H2 O)2","","- Cs H4 Li O5 S -","- Cs H4 Li O5 S -","- Cs2 H8 Li2 O10 S2 -","2","0.5","","Archer, C.; Durand, J.; Cot, L.; Galigne, J.L.","Sur quelques sulfites de cations monovalents; etude structurale de Li Cs O3 (H2 O)2","Canadian Journal of Chemistry","1979","57","","899","903","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529767","18.74","","7.19","","12.33","","90","","112","","90","","1540.38","","","","","","","","","","","","","6","C 1 m 1","C -2y","8","","Ca5 Na4 K2 (Si12 O30) (O H)4","","- Ca5 H4 K2 Na4 O34 Si12 -","- Ca5 K2 Na4 O34 Si12 -","- Ca10 K4 Na8 O68 Si24 -","2","0.5","","Chiragov, M.I.; Belov, N.V.; Mamedov, H.S.","Crystal structure of canasite Ca5 Na4 K2 (Si12 O30) ((O H), F)4","Doklady Akademii Nauk SSSR","1969","185","","672","674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530020","9.964","","4.148","","5.9409","","90","","109.49","","90","","231.472","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Li5 Bi O5","","- Bi Li5 O5 -","- Bi Li5 O5 -","- Bi2 Li10 O10 -","2","0.5","","Greaves, C.; Katib, S.M.A.","The Structures of Li5 Bi O5 and Li5 Sb O5 From Powder Neutron Diffraction","Materials Research Bulletin","1989","24","","973","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530422","14.513","","9.641","","9.705","","90","","117.76","","90","","1201.63","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","U O2 B12 H12 (H2 O)11","","- B12 H34 O13 U -","- B12 O13 U -","- B24 O26 U2 -","2","0.5","","Mikhailov, Yu.N.; Kanishcheva, A.S.; Kuznetsov, N.T.; Zemskova, L.A.; Mistryukov, V.E.; Solntsev, K.A.","A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6","Zhurnal Neorganicheskoi Khimii","1982","27","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530436","10.55","","13.985","","6.398","","90","","104.87","","90","","912.359","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Na4 Ni7 (P O4)6","","- Na4 Ni7 O24 P6 -","- Na4 Ni7 O24 P6 -","- Na8 Ni14 O48 P12 -","2","0.5","","Moring, J.; Kostiner, E.","The crystal structure of Na4 Ni7 (P O4)6","Journal of Solid State Chemistry","1986","62","","105","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","155540","2020-10-21","18:00:00",""
"1530677","9.635","","12.019","","7.696","","90","","110.4","","90","","835.325","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Li3 Cr4 P O16 (H2 O)3","","- Cr4 H6 Li3 O19 P -","- Cr4 Li3 O19 P -","- Cr8 Li6 O38 P2 -","2","0.5","","Saf'yanov, Yu.N.; Kuz'min, E.A.; Bochkova, R.I.; Belov, N.V.","The crystal structure of Li3 Cr4 P O16 (H2 O)3","Doklady Akademii Nauk SSSR","1981","257","","619","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531306","17.642","","17.775","","7.414","","90","","116.897","","90","","2073.42","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Sr4.56 (Al8.96 Si27.04 O72) (H2 O)17.16","","- Al8.96 H34.32 O89.16 Si27.04 Sr4.56 -","- Al8.964 O89.16 Si27.036 Sr4.558 -","- Al8.964 O89.16 Si27.036 Sr4.558 -","1","0.25","","Doebelin, N.; Armbruster, T.","Stepwise dehydration of Sr-exchanged heulandite: a single-crystal X-ray study","American Mineralogist","2003","88","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531632","5.728","","3.309","","8.352","","90","","103.2","","90","","154.121","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Cu Al In O4","","- Al Cu In O4 -","- Al Cu In O4 -","- Al2 Cu2 In2 O8 -","2","0.5","","Kutoglu, A.; Roesler, A.; Reinen, D.","Die Cu Al In O4-Struktur - roentgenographische und spektroskopische Untersuchungen an Verbindungen M(II) Me(III) In O4 (M(II). Mn(II) - Zn(II), Me(III). Al, Ga)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1979","456","","130","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531759","4.8339","","4.5582","","10.8436","","90","","98.14","","90","","236.519","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- Ca2 Co O3 -","- Ca2 Co O3 -","- Ca4 Co2 O6 -","2","0.5","","Miyazaki, Y.; Onoda, M.; Oku, T.; Kikuchi, M.; Ishii, Y.; Ono, Y.; Morii, Y.; Kajitani, T.","Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2","Journal of the Physical Society of Japan","2002","71","","491","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1531762","4.8339","","2.8238","","10.8436","","90","","98.14","","90","","146.524","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Co O2 -","- Co O2 -","- Co2 O4 -","2","0.5","","Miyazaki, Y.; Ono, Y.; Oku, T.; Kikuchi, M.; Onoda, M.; Kajitani, T.; Ishii, Y.; Morii, Y.","Modulated structure of the thermoelectric compound (Ca2 Co O3)0.62 Co O2","Journal of the Physical Society of Japan","2002","71","","491","497","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532049","5.752","","5.7431","","4.0912","","90","","90.48","","90","","135.145","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Zr0.52 Ti0.48) O3","","- O3 Pb Ti0.48 Zr0.52 -","- O3 Pb Ti0.48 Zr0.52 -","- O6 Pb2 Ti0.96 Zr1.04 -","2","0.5","","Ragini; Ranjan, R.; Mishra, S.K.; Pandey, D.","Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study","Journal of Applied Physics","2002","92","","3266","3274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532054","5.7532","","5.738","","4.09","","90","","90.49","","90","","135.014","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Zr0.525 Ti0.475) O3","","- O3 Pb Ti0.475 Zr0.525 -","- O3 Pb Ti0.475 Zr0.525 -","- O6 Pb2 Ti0.95 Zr1.05 -","2","0.5","","Ragini; Ranjan, R.; Pandey, D.; Mishra, S.K.","Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study","Journal of Applied Physics","2002","92","","3266","3274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532057","5.776","","5.7508","","4.09","","90","","90.471","","90","","135.851","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Zr0.53 Ti0.47) O3","","- O3 Pb Ti0.47 Zr0.53 -","- O3 Pb Ti0.47 Zr0.53 -","- O6 Pb2 Ti0.94 Zr1.06 -","2","0.5","","Ragini; Pandey, D.; Ranjan, R.; Mishra, S.K.","Room temperature structure of Pb (Zrx Ti1-x) O3 around the morphotropic phase boundary region: a Rietveld study","Journal of Applied Physics","2002","92","","3266","3274","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532118","14.45","","13.91","","7.836","","90","","117.42","","90","","1398.08","","","","","","","","","","","","","10","C 1 m 1","C -2y","8","","(Na2.4 K1.6) (K2.2 (H3 O)0.79) (K0.72 Ba0.48) (Fe0.66 Mg0.44 (H2 O)2.21) (Ti4.8 Nb3.2 ((O H)1.93 O6.07)) (Si4 O12)4 (H2 O)2.92","","- Ba0.48 Fe0.66 H14.56 K4.52 Mg0.44 Na2.4 Nb3.2 O61.92 Si16 Ti4.8 -","- Ba0.486 Fe0.66 K4.51 Mg0.44 Na2.4 Nb3.2 O61.924 Si16 Ti4.8 -","- Ba0.486 Fe0.66 K4.51 Mg0.44 Na2.4 Nb3.2 O61.924 Si16 Ti4.8 -","1","0.25","","Rozenberg, K.A.; Rastsvetaeva, R.K.; Subbotin, V.V.; Chukanov, N.V.","Acentric niobium-rich analogue of labuntsovite-Fe: crystal structure and microtwinning","Kristallografiya","2002","47","","453","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533071","14.491","","13.911","","7.822","","90","","117.59","","90","","1397.49","","","","","","","","","","","","","13","C 1 m 1","C -2y","8","","K Na (H3 O)1.94 Ca0.7 Sr0.7 Ba0.2 Zn1.64 Mn0.1 Fe0.08 (Ti5.68 Nb2.32) (Si16 O48) (O5.1 (O H)2.9) (H2 O)6.98","","- Ba0.2 Ca0.7 Fe0.08 H22.68 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64 -","- Ba0.2 Ca0.7 Fe0.08 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64 -","- Ba0.2 Ca0.7 Fe0.08 K Mn0.1 Na Nb2.32 O64.92 Si16 Sr0.7 Ti5.68 Zn1.64 -","1","0.25","","Rozenberg, K.A.; Chukanov, N.V.; Rastsvetaeva, R.K.; Pekov, I.V.","New zinc-rich representative of the labuntsovite group: crystal structure and microtwinning","Doklady Akad. Nauk","2002","383","","657","660","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533072","14.326","","13.802","","7.783","","90","","116.949","","90","","1371.8","","","","","","","","","","","","","10","C 1 m 1","C -2y","8","","Na1.92 (K2.58 (H3 O)1.36) (Ba1.51 K0.91) (Mn0.3 Zn0.2 (H2 O)) (Ti6.56 Nb1.44) (O5.18 (O H)2.82) (Si4 O12)4 (H2 O)8","","- Ba1.51 H24.9 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2 -","- Ba1.51 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2 -","- Ba1.51 K3.49 Mn0.3 Na1.92 Nb1.44 O66.36 Si16 Ti6.56 Zn0.2 -","1","0.25","","Rozenberg, K.A.; Rastsvetaeva, R.K.; Pekov, I.V.; Chukanov, N.V.","Crystal structure of the new mineral tsepinite-K","Doklady Akad. Nauk","2002","386","","345","349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533092","17.721","","18.035","","7.429","","90","","116.26","","90","","2129.26","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Cd4.36 (Al8.7 Si27.3 O72) (H2 O)29.08","","- Al8.7 Cd4.36 H58.16 O101.08 Si27.3 -","- Al8.7012 Cd4.36 O101.08 Si27.2988 -","- Al8.7012 Cd4.36 O101.08 Si27.2988 -","1","0.25","","Doebelin, N.; Armbruster, T.","Stepwise dehydration and change of framework topology in Cd-exchanged heulandite","Microporous and Mesoporous Materials","2003","61","","85","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533093","17.719","","18.008","","7.428","","90","","116.337","","90","","2124.13","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Cd4.15 (Al8.7 Si27.3 O72) (H2 O)26.92","","- Al8.7 Cd4.15 H53.84 O98.92 Si27.3 -","- Al8.7012 Cd4.146 O98.92 Si27.2988 -","- Al8.7012 Cd4.146 O98.92 Si27.2988 -","1","0.25","","Doebelin, N.; Armbruster, T.","Stepwise dehydration and change of framework topology in Cd-exchanged heulandite","Microporous and Mesoporous Materials","2003","61","","85","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533094","17.647","","17.831","","7.407","","90","","116.48","","90","","2086.2","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Cd4.02 (Al8.7 Si27.3 O72) (H2 O)25.58","","- Al8.7 Cd4.02 H51.16 O97.58 Si27.3 -","- Al8.7012 Cd4.02 O97.582 Si27.2988 -","- Al8.7012 Cd4.02 O97.582 Si27.2988 -","1","0.25","","Doebelin, N.; Armbruster, T.","Stepwise dehydration and change of framework topology in Cd-exchanged heulandite","Microporous and Mesoporous Materials","2003","61","","85","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533095","17.65","","17.525","","7.4355","","90","","116.963","","90","","2049.92","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Cd4.05 (Al8.7 Si27.3 O72) (H2 O)13.06","","- Al8.7 Cd4.05 H26.12 O85.06 Si27.3 -","- Al8.7012 Cd4.052 O85.06 Si27.2988 -","- Al8.7012 Cd4.052 O85.06 Si27.2988 -","1","0.25","","Doebelin, N.; Armbruster, T.","Stepwise dehydration and change of framework topology in Cd-exchanged heulandite","Microporous and Mesoporous Materials","2003","61","","85","103","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533949","10.711","","14.275","","6.688","","90","","103.5","","90","","994.338","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Tl4 Ni7 (P O4)6","","- Ni7 O24 P6 Tl4 -","- Ni7 O24 P6 Tl4 -","- Ni14 O48 P12 Tl8 -","2","0.5","","Panahandeh, A.; Jung, W.","The oxidation of heterogeneous Tl/Ni/P alloys - preparation and crystal structures of the thallium nickel phosphates Tl Ni4 (P O4)3, Tl4 Ni7 (P O4)6 and Tl2 Ni4 (P2 O7) (P O4)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1651","1660","","","","","","","","","","","","","","","","","","","","","","has coordinates","160240","2020-10-21","18:00:00",""
"1534632","28.591","","4.263","","13.561","","90","","95.52","","90","","1645.2","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Pr8.303 Sb20.03 -","- Pr8.303 Sb20.028 -","- Pr16.606 Sb40.056 -","2","0.5","","Schmidt, T.; Altmeyer, R.O.; Jeitschko, W.","The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure","Journal of Solid State Chemistry","2003","173","","259","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534635","28.452","","4.247","","13.459","","90","","95.42","","90","","1619.06","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Nd8.303 Sb19.98 -","- Nd8.3 Sb19.97 -","- Nd16.6 Sb39.94 -","2","0.5","","Schmidt, T.; Altmeyer, R.O.; Jeitschko, W.","The lanthanoid polyantimonides with the ideal compositions Pr5 Sb12 and Nd5 Sb12 crystallizing with a new structure type and Ho2 Sb5 with (Dy2 Sb5)-type structure","Journal of Solid State Chemistry","2003","173","","259","272","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535634","7.7734","","14.92","","4.7308","","90","","90.12","","90","","548.673","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Er2 (C O3)2 (C2 O4) (H2 O)2","","- C4 H4 Er2 O12 -","- C4 Er2 O12 -","- C8 Er4 O24 -","2","0.5","","Mueller-Buschbaum, K.","Er2 (C O3)2 (C2 O4) (H2 O)2","Zeitschrift fuer Anorganische und Allgemeine Chemie","2002","628","","1761","1764","","","","","","","","","","","","","","","","","","","","","","has coordinates","163073","2020-10-21","18:00:00",""
"1535663","11.649","","16.444","","5.729","","90","","117.55","","90","","972.985","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","(N H4)2 (Mo3 (S2)6 S) (H2 O)","","- H10 Mo3 N2 O S13 -","- H10 Mo3 N2 O S13 -","- H20 Mo6 N4 O2 S26 -","2","0.5","","Mueller, A.; Wittneben, V.; Krickemeyer, E.; Lemke, M.; Boegge, H.","Studies on the Triangular Cluster (Mo3S13)(2-): Electronic Structure (Xalpha Calculations, XPS), Crystal Structure of (Ph4As)2(Mo3S13)*2CH3CN and a Refinement of the Crystal Structure of (NH4)2(Mo3S13)*H2O","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","605","","175","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1535719","5.5307","","5.2093","","3.7431","","90","","85.58","","90","","107.522","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","K (C N)","","- C K N -","- C K N -","- C2 K2 N2 -","2","0.5","","Decker, D.L.; Beyerlein, R.A.; Worlton, T.G.; Roult, G.","Neutron diffraction study of K C N-III and K C N-IV at high pressure","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1974","10","","3584","3593","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535792","12.005","","7.697","","5.85","","90","","100","","90","","532.342","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Cs2 (U O2) Cl4","","- Cl4 Cs2 O2 U -","- Cl4 Cs2 O2 U -","- Cl8 Cs4 O4 U2 -","2","0.5","","Tutov, A.G.; Usov, O.A.; Plakhtii, V.P.; Chernenkov, Yu.P.; Bublyaev, R.A.","Neutron diffraction refinement of the structure of a nonlinear optical crystal of dicesium uranyltetrachloride Cs2 U O2 Cl4","Kristallografiya","1991","36","","1135","1138","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535798","8.104","","16.03","","3.5584","","90","","101.25","","90","","453.379","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Gd Ca4 O (B O3)3","","- B3 Ca4 Gd O10 -","- B3 Ca4 Gd O10 -","- B6 Ca8 Gd2 O20 -","2","0.5","","Ilyukhin, A.B.; Dzhurinskii, B.F.","Crystal structures of double oxoborates LnCa4O(BO3)3 (Ln=Gd, Tb, Lu) and Eu2CaO(BO3)2","Zhurnal Neorganicheskoi Khimii","1993","38","","917","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535824","12.869","","7.378","","6.243","","90","","114.45","","90","","539.6","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","(C (N H2)3)2 (Ti F6)","","- C2 H12 F6 N6 Ti -","- C2 H12 F6 N6 Ti -","- C4 H24 F12 N12 Ti2 -","2","0.5","","Calov, U.; Schneider, M.; Leibnitz, P.","Guanidiniumhexafluorometallate von Titan, Silicium, Germanium und Zinn. Guanidiniumpentafluorooxoniobat und Guanidiniumtetrafluorodioxowolframat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","604","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536548","8.132","","16.081","","3.583","","90","","101.31","","90","","459.452","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Sm2 Ca8 O2 (B O3)6","","- B6 Ca8 O20 Sm2 -","- B6 Ca8 O20 Sm2 -","- B6 Ca8 O20 Sm2 -","1","0.25","","Khamaganova, T.N.; Trunov, V.K.; Dzhurinskii, B.F.","Crystal structure of calcium samarium double oxoborate Sm2Ca8O2(BO3)6","Zhurnal Neorganicheskoi Khimii","1991","36","","855","857","","","","","","","","","","","","","","","","","","","","","","has coordinates","164296","2020-10-21","18:00:00",""
"1536850","10.7232","","13.812","","12.563","","90","","119.9","","90","","1613.03","","","","","","","","","","","","","6","C 1 m 1","C -2y","8","","Ba Mn2 (Ti O) (O H)2 (Si2 O7)","","- Ba H2 Mn2 O10 Si2 Ti -","- Ba Mn2 O10 Si2 Ti -","- Ba8 Mn16 O80 Si16 Ti8 -","8","2","","Rastsvetaeva, R.K.; Tamazyan, R.A.; Belakovskii, D.I.; Sokolova, E.V.","Crystal structures of two modifications of natural Ba, Mn-titanium silicate.","Kristallografiya","1991","36","","354","360","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537005","12.39","","7.074","","12.908","","90","","108.6","","90","","1072.25","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Ru3 Sn15 O14","","- O14 Ru3 Sn15 -","- O14 Ru3 Sn15 -","- O28 Ru6 Sn30 -","2","0.5","","Reichelt, W.; Simon, A.; Rademacher, O.; Oppermann, H.; Soehnel, T.; Koehler, J.; Mattausch, H.J.","Condensed Ru Sn6 octahedra in Ru3 Sn15 O14","Angewandte Chemie (Edition international)","1995","34","","2113","2114","","","","","","","","","","","","","","","","","","","","","","has coordinates","164940","2020-10-21","18:00:00",""
"1537624","17.718","","17.897","","7.428","","90","","116.42","","90","","2109.4","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Ca1.23 (Al2 Si7 O18) (H2 O)6","","- Al2 Ca1.23 H12 O24 Si7 -","- Al2.05 Ca1.235 O23.975 Si6.95 -","- Al8.2 Ca4.94 O95.9 Si27.8 -","4","1","","Alberti, A.","On the crystal structure of the zeolite heulandite","Tschermaks Mineralogische und Petrographische Mitteilungen (-1978)","1972","18","","129","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539634","13.168","","3.542","","9.302","","90","","102.19","","90","","424.073","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","Cr4 As3","","- As3 Cr4 -","- As3 Cr4 -","- As12 Cr16 -","4","1","","Baurecht, H.E.; Nowotny, H.; Boller, H.","The crystal structure of Cr4 As3","Monatshefte fuer Chemie (-108,1977)","1970","101","","1696","1703","","","","","","","","","","","","","","","","","","","","","","has coordinates","168607","2020-10-21","18:00:00",""
"1539969","6.794","","8.621","","4.271","","90","","104.07","","90","","242.652","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Mn2 P1.09 V0.91 O7","","- Mn2 O7 P1.09 V0.91 -","- Mn2 O7 P1.09 V0.91 -","- Mn4 O14 P2.18 V1.82 -","2","0.5","","Yakubovich, O.V.; Anan'eva, E.N.; Dimitrova, O.V.","Crystal structure of the solid solution Mn2 (Px V1-x) (Vy P1-y) O7","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","2000","26","","586","591","","","","","","","","","","","","","","","","","","","","","","has coordinates","169080","2020-10-21","18:00:00",""
"1540241","13.213","","3.949","","12.035","","90","","104.82","","90","","607.074","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","Se7 Y5","","- Se7 Y4.68 -","- Se7 Y4.68 -","- Se14 Y9.36 -","2","0.5","","Kim, S.-J.; Franzen, H.F.","The crystal structure of a new phase in the Y - Se system","Journal of the Less-Common Metals","1988","138","","L29","L32","","","","","","","","","","","","","","","","","","","","","","has coordinates","169480","2020-10-21","18:00:00",""
"1540704","12.235","","7.073","","9.298","","90","","116.31","","90","","721.279","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Ca3 (Si O4) O","Alite","- Ca3 O5 Si -","- Ca3 O5 Si -","- Ca18 O30 Si6 -","6","1.5","","Mumme, W.G.","Crystal structure of tricalcium silicate from a Portland cement clinker and its application to quantitative XRD analysis","N. Jb. Miner. Mh","1995","4","","145","160","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540705","33.1078","","7.0355","","18.5211","","90","","94.137","","90","","4302.88","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Ca3 (Si O4) O","Alite","- Ca3 O5 Si -","- Ca3 O5 Si -","- Ca108 O180 Si36 -","36","9","","de la Torre, A.G.; Bruque, S.; Campo, J.; Aranda, M.A.G.","The superstructure of C3S from synchrotron and neutron powder diffraction and its role in quantitative phase analyses","Cement and Concrete Research","2002","32","","1347","1356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540899","35.283","","5.429","","9.517","","90","","98.92","","90","","1800.95","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","La2 Ce1.18 Ta O6 Cl3.63","","- Ce1.18 Cl3.63 La2 O6 Ta -","- Ce1.18007 Cl3.629 La2.00005 O6 Ta -","- Ce9.4406 Cl29.032 La16.0004 O48 Ta8 -","8","2","","Schaffrath, U.; Gruehn, R.","Zur Praeparation und zum thermischen Verhalten von Ln2 CeTaO6Cl3 (Ln= La-Nd) und Ce3TaO5(OH)Cl3 sowie zur Struktur und Phasenbreite des thermischen Abbauproduktes ""La2(Cex)(3+) (Ce1-x)(4+)TaO6Cl3-x""","Zeitschrift fuer Anorganische und Allgemeine Chemie","1990","589","","139","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543299","16.2434","0.0007","21.8215","0.0009","7.6828","0.0003","90","","110.197","0.004","90","","2555.76","0.19","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 Se4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0456","0.0443","","","0.1221","0.1245","","","","","","1.086","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543302","16.323","0.0002","21.5944","0.0003","7.6252","0.0001","90","","109.772","0.001","90","","2529.32","0.06","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 S4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0435","0.0423","","","0.1193","0.1207","","","","","","1.123","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1544071","6.734","0.004","12.536","0.006","9.12","0.005","90","","118.622","0.01","90","","675.8","0.6","173","2","173.15","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C10 H7 Ag2 Fe N7 -","- C10 H7 Ag2 Fe N7 -","- C20 H14 Ag4 Fe2 N14 -","2","0.5","","Gural'skiy, Il'ya A.; Shylin, Sergii I.; Golub, Bohdan O.; Ksenofontov, Vadim; Fritsky, Igor O.; Tremel, Wolfgang","High temperature spin crossover in [Fe(pyrazine){Ag(CN)2}2] and its solvate","New J. Chem.","2016","40","11","9012","","10.1039/C6NJ01472K","","","0.71073","MoKα","","0.0459","0.0389","","","0.0776","0.0791","","","","","","1.044","","","","has coordinates,has disorder","188272","2020-10-21","18:00:00",""
"1548892","5.1574","0.0006","17.413","0.002","5.1107","0.0007","90","","100.357","0.004","90","","451.49","0.1","293","2","293","2","","","","","","","","2","C 1 m 1","C -2y","8","","Tetraaluminium chromium","","- Al4 Cr -","- Al4 Cr -","- Al24 Cr6 -","6","1.5","WM4068","Fan, Changzeng; Liu, Cong","Crystal structure of ω-Al~4~Cr","IUCrData","2018","3","2","x180216","","10.1107/S241431461800216X","","","0.71073","MoKα","","0.0721","0.0466","","","0.0833","0.0903","","","","","","1.051","","","","has coordinates,has Fobs","206304","2020-10-21","18:00:00",""
"1548974","5.29","0.02","9.17","0.03","7.26","0.02","90","","90","","90","","352","2","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Nepouite","- H4 Mg0.24 Ni2.76 O9 Si2 -","- H4 Mg0.24 Ni2.76 O9 Si2 -","- H8 Mg0.48 Ni5.52 O18 Si4 -","2","0.5","","Brindley, G. W.; Wan, H. M.","Composition, structures, and thermal behavior of nickel-containing minerals in the lizardite-nepouite series","American Mineralogist","1975","60","","863","871","","","","","","","","","","","","","","","","","","","","","","has coordinates","287953","2023-12-03","18:10:14",""
"1549986","9.447","0.003","10.129","0.003","6.1571","0.0018","90","","123.42","0.03","90","","491.7","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C Cs3 O8 V -","- C Cs3 O8 V -","- C2 Cs6 O16 V2 -","2","0.5","","Zou, Guohong; Lin, Zhien; Zeng, Hongmei; Jo, Hongil; Lim, Seong-Ji; You, Tae-Soo; Ok, Kang Min","Cs<sub>3</sub>VO(O<sub>2</sub>)<sub>2</sub>CO<sub>3</sub>: an exceptionally thermostable carbonatoperoxovanadate with an extremely large second-harmonic generation response.","Chemical science","2018","9","48","8957","8961","10.1039/c8sc03672a","","","0.71073","MoKα","","0.028","0.0258","","","0.0732","0.0972","","","","","","1.258","","","","has coordinates","228765","2020-10-21","18:00:00",""
"1551030","24.352","0.005","26.043","0.004","16.592","0.003","90","","122.777","0.003","90","","8847","3","93","2","93","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C201 H227 N18 Ni3 -","- C201 H229 N18 Ni3 -","- C402 H458 N36 Ni6 -","2","0.5","","Osuka, Atsuhiro; Shimizu, Daiki; Furukawa, Ko; Adinarayana, Bellamkonda","Stable radical versus reversible σ-bond formation of (porphyrinyl)dicyanomethyl radicals","Chemical Science","2019","","","","","10.1039/C9SC01631G","","","1.54187","CuKα","","0.0667","0.0586","","","0.1502","0.1558","","","","","","1.038","","","","has coordinates,has disorder","215122","2020-10-21","18:00:00",""
"1552762","25.751","0.0015","30.6808","0.0017","19.5302","0.0011","90","","126.577","0.0006","90","","12391.3","1.2","123","2","123","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C137 H190 Ag46 O76 S38 V10 -","- C137 H190 Ag46 O76 S38 V10 -","- C274 H380 Ag92 O152 S76 V20 -","2","0.5","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","","0.71073","MoKα","","0.0663","0.0591","","","0.1593","0.1672","","","","","","1.026","","","","has coordinates,has disorder","223405","2020-10-21","18:00:00",""
"1558443","6.549","0.001","6.317","0.001","5.894","0.001","90","","109.13","0.01","90","","230.37","0.07","","","293","","","","","","","","","5","C 1 m 1","C -2y","8","KH2SPO3","","","- H2 K O3 P S -","- H2 K O3 P S -","- H4 K2 O6 P2 S2 -","2","0.5","","Janickis, Vitalijus; Maroy, Kjartan","The Dihydrogenmonothiophosphate and Trihydrogendisulfanediphosphonate Anions. Crystal Structures of KH2SPO3 and [Co(en)2Cl2]H3S2P2O6","Acta Chemica Scandinavica","1994","48","","461","464","10.3891/acta.chem.scand.48-0461","","x-ray","0.71069","MoKα","","","0.015","","","0.019","","","","","","","1.22","","","","has coordinates","253556","2020-10-21","18:00:00",""
"1559526","25.242","0.005","14.9","0.003","9.259","0.001","90","","103.81","0.01","90","","3381.7","1","","","295","","","","","","","","","3","C 1 m 1","C -2y","8","Tl3Al13S21","","","- Al13 S21 Tl3 -","- Al13 S21 Tl3 -","- Al52 S84 Tl12 -","4","1","","Krebs, Bernt; Greiwing, Horst","Preparation and Crystal Structure of Tl3Al13S21, A Novel Ternary Sulfide Structure Type","Acta Chemica Scandinavica","1991","45","","833","839","10.3891/acta.chem.scand.45-0833","","x-ray","0.71069","MoKα","","","0.056","","","0.053","","","","","","","","","","","has coordinates","259156","2020-11-17","08:36:40",""
"1562284","13.4191","0.001","4.0844","0.0003","19.1652","0.0014","90","","105.83","0.005","90","","1010.59","0.13","153","2","153","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Ag1.75 In Sb5.75 Se11 -","- Ag1.75 In Sb5.75 Se11 -","- Ag3.5 In2 Sb11.5 Se22 -","2","0.5","","Hao, Wenyu; Han, Yemao; Huang, Rongjin; Feng, Kai; Yin, Wenlong; Yao, Jiyong; Wu, Yicheng","Ag1.75InSb5.75Se11: A new noncentrosymmetric compound with congruent-melting behavior","Journal of Solid State Chemistry","2014","218","","196","201","10.1016/j.jssc.2014.06.026","","","0.71073","MoKα","","0.0491","0.037","","","0.0957","0.1011","","","","","","1.307","","","","has coordinates","264696","2021-04-29","09:32:39",""
"1564457","10.419","0.002","27.922","0.007","8.106","0.0019","90","","111.222","0.004","90","","2198.3","0.9","175","","175","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- B4 Cu H24 N4 O13 -","- B4 Cu H24 N4 O13 -","- B24 Cu6 H144 N24 O78 -","6","1.5","","Avdeeva, Varvara V.; Malinina, Elena A.; Vologzhanina, Anna V.; Sivaev, Igor B.; Kuznetsov, Nikolay T.","Formation of oxidopolyborates in destruction of the [B11H14]‒ anion promoted by transition metals","Inorganica Chimica Acta","2020","509","","119693","","10.1016/j.ica.2020.119693","","","0.71073","MoKα","","0.0421","0.0338","","","0.0729","0.0764","","","","","","1.025","","","","has coordinates,has disorder","268304","2021-08-31","06:42:49",""
"1564885","12.6665","0.0007","12.41","0.0007","4.8699","0.0003","90","","99.2339","0.0017","90","","755.59","0.08","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C10 H13 Cu N5 O4 S2 -","- C10 H13 Cu N5 O4 S2 -","- C20 H26 Cu2 N10 O8 S4 -","2","0.5","","Murphy, Jaime M.; Gaertner, Andrea A.E.; Owen, Amanda M.; Struder, Samantha; McMillen, Colin D.; Wetzler, Modi; Brumaghim, Julia L.","Coordination complexes of methimazole with copper: Controlling redox reactions and sulfur extrusion","Inorganica Chimica Acta","2020","507","","119568","","10.1016/j.ica.2020.119568","","","0.71073","MoKα","","0.0402","0.0339","","","0.0583","0.0602","","","","","","0.966","","","","has coordinates,has disorder","269849","2021-10-07","08:35:35",""
"1566885","9.1813","0.0008","32.2736","0.0014","40.651","0.003","90","","96.354","0.008","90","","11971.5","1.5","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C H N O S -","- C2.49351 N0.311688 O0.0909091 S0.0519481 -","- C384 N48 O14 S8 -","154","38.5","","Zhang, Zhe; Bai, Qixia; Manandhar, Erendra; Zeng, Yunting; Wu, Tun; Wang, Ming; Yao, Liao-Yuan; Newkome, George R.; Wang, Pingshan; Xie, Tingzheng","Supramolecular Cuboctahedra with Aggregation-Induced Emission Enhancement and External Binding Ability","Chemical Science","2022","","","","","10.1039/D2SC00082B","","","0.71073","MoKα","","0.4547","0.2743","","","0.5503","0.5918","","","","","","2.242","","","","has coordinates","274724","2022-04-27","22:18:40",""
"2001888","8.785","0.004","8.318","0.003","4.92","0.001","90","","103.62","0.03","90","","349.4","0.2","","","","","","","","","","","","4","C 1 m 1","","","","","","- C6 H8 Br N -","- C6 H7 Br N -","- C12 H14 Br2 N2 -","2","0.5","HH0618","Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.","Structure of 4-methylpyridinium bromide","Acta Crystallographica Section C","1993","49","3","548","550","10.1107/S0108270192006826","","","0.71073","Mo","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2002438","5.2","0.004","14.468","0.009","4.955","0.005","90","","90","0.1","90","","372.8","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Dimanganese trizinc 20-oxohexatantalate","","- Mn2 O20 Ta6 Zn3 -","- Mn2 O20 Ta6 Zn3 -","- Mn2 O20 Ta6 Zn3 -","1","0.25","","Rohweder, U; Muelle-Buschbaum, Hk","Zur Kristallchemie der Oxotantalate. IV. Zur Kenntnis der metastabilen Hochtemperaturverbindung Mn2 Zn3 Ta6 O20","Journal of the Less-Common Metals","1989","152","","7","13","10.1016/0022-5088(89)90066-0","","","","","","0.051","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003118","14.578","0.002","7.2194","0.0008","10.004","0.002","90","","111.36","0.05","90","","980.5","0.3","293","2","293","2","","","","","","","","3","C 1 m 1","C -2y","8","B-Er10Ru10C19","","","- C19 Er10 Ru10 -","- C19 Er10 Ru10 -","- C38 Er20 Ru20 -","2","0.5","SH0107","Hoffmann, R.-D.; Jeitschko, W.","The Carbides Ln~10~Ru~10~C~19~ (Ln = Y, Gd-Lu): Crystal Structure of their Subcells and the Superstructures of Er~10~Ru~10~C~19~","Acta Crystallographica Section B","1998","54","6","834","850","10.1107/S0108768198004984","","","0.71073","MoKα","","0.0844","0.0604","","0.162","0.144","","","","1.049","1.053","1.053","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2005078","8.679","0.002","7.964","0.001","4.86","0.002","90","","101.1","0.02","90","","329.64","0.16","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N S -","- C6 H9 N S -","- C12 H18 N2 S2 -","2","0.5","BK1147","Andras, M. T.; Hepp, A. F.; Fanwick, P. E.; Martuch, R. A.; Duraj, S. A.; Gordon, E. M.","4-Methylpyridinium Hydrogen Sulfide","Acta Crystallographica Section C","1996","52","7","1701","1702","10.1107/S0108270196000078","","","0.71073","MoKα","","","0.039","","","0.048","","","","","1.617","1.617","","","","","has coordinates","189206","2020-10-21","18:00:00",""
"2005895","12.399","0.001","7.09","0.001","12.939","0.002","90","","108.49","0.01","90","","1078.7","0.2","293","2","293","2","","","","","","","","3","C 1 m 1","C -2y","8","","Osmiumstannat","","- O14 Os3 Sn15 -","- O14 Os3 Sn15 -","- O28 Os6 Sn30 -","2","0.5","SK1025","Söhnel, T.; Reichelt, W.","Os~3~Sn~15~O~14~, ein ternäres Oxid mit osmiumgefüllten Sn~6~-Oktaedern","Acta Crystallographica Section C","1997","53","1","9","11","10.1107/S0108270196009560","","","0.71073","MoKα","","0.041","0.0344","","0.0893","0.0871","","","","1.049","1.074","1.074","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2006911","10.506","0.001","14.39","0.001","6.471","0.001","90","","105.79","0.01","90","","941.38","0.19","293","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Structure of Synthetic Heptacobalt Tetrasodium Monophosphate Na~4~Co~7~(PO~4~)~6~","","- Co7 Na4 O24 P6 -","- Co7 Na4 O24 P6 -","- Co14 Na8 O48 P12 -","2","0.5","DU1180","Kobashi, Dilshat; Kohara, Shizuo; Yamakawa, Junji; Kawahara, Akira","Un Monophosphate Synthétique de Sodium et de Cobalt: Na~4~Co~7~(PO~4~)~6~","Acta Crystallographica Section C","1998","54","1","7","9","10.1107/S010827019701189X","","","0.71069","MoKα","","","0.038","","","","0.033","","","","","","1.284","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007733","12.6528","0.0008","25.849","0.001","5.7717","0.0004","90","","102.626","0.004","90","","1842.06","0.19","298","2","298","2","","","","","","","","7","C 1 m 1","C -2y","8","Sodium tetrabetainecopper(II) perchlorate","Perchlorato-2κO-bis(μ-trimethylammonioacetato)-1:2κ^4^O- bis(trimethylammonioacetato)-1κ^2^O-coppersodium diperchlorate","","- C20 H44 Cl3 Cu N4 Na O20 -","- C20 H44 Cl3 Cu N4 Na O20 -","- C40 H88 Cl6 Cu2 N8 Na2 O40 -","2","0.5","KA1268","Ng, Seik Weng; Chen, Xiao-Ming; Yang, Guang","Metallo-Ligand [Cu^II^(carboxylato)~4~]^2+^ Cores: Tetrakis(trimethylammonioacetato-<i>O</i>)copper Diperchlorate and its 1/1 Complex with Sodium Perchlorate","Acta Crystallographica Section C","1998","54","10","1389","1393","10.1107/S010827019800523X","","","0.71073","MoKα","","0.085","0.075","","","","0.195","","","","","","1.466","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"2009875","12.686","0.003","7.274","0.002","3.629","0.001","90","","120.85","0.02","90","","287.5","0.14","291","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C H6 N4 O3 -","- C H6 N4 O3 -","- C2 H12 N8 O6 -","2","0.5","HU1064","Katrusiak, A.; Szafrański, M.","Guanidinium nitrate","Acta Crystallographica Section C","1994","50","7","1161","1163","10.1107/S0108270193012272","","","1.54178","CuKα","","","0.0319","","","0.0366","","","","","1.32","1.32","","","","","has coordinates","198517","2020-10-21","18:00:00",""
"2015114","7.2228","0.0011","24.518","0.003","5.033","0.0007","90","","120.521","0.01","90","","767.8","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","4,5-Bis(furoylsulfanyl)-1,3-dithiolane-2-thione","","- C13 H6 O4 S5 -","- C13 H6 O4 S5 -","- C26 H12 O8 S10 -","2","0.5","BM1613","Wang, Xin-Qiang; Yu, Wen-Tao; Xu, Dong; Wang, Yan-Ling; Li, Ting-Bin; Guo, Wen-Feng","4,5-Bis(furoylsulfanyl)-1,3-dithiole-2-thione","Acta Crystallographica Section C","2005","61","10","o583","o585","10.1107/S0108270105026053","","","0.71069","MoKα","","0.0495","0.0349","","","0.0814","0.0907","","","","","","1.02","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2016362","5.7461","0.0002","5.7278","0.0002","4.0409","0.0003","90","","90.155","0.003","90","","132.996","0.012","4","","4","","","","","","","","","5","C 1 m 1","C -2y","8","PZN-8%PT","lead zinc niobium titanium trioxide","","- Nb0.61 O3 Pb Ti0.08 Zn0.31 -","- Nb0.61333 O3 Pb Ti0.08 Zn0.30666 -","- Nb1.22666 O6 Pb2 Ti0.16 Zn0.61332 -","2","0.5","SQ3101","Forrester, Jennifer S.; Kisi, Erich H.","Monoclinic PZN-8%PT [Pb(Zn~0.3066~Nb~0.6133~Ti~0.08~)O~3~] at 4K","Acta Crystallographica Section C","2007","63","12","i115","i118","10.1107/S0108270107050640","","neutron","","neutron","","","","","","","","","","1.28","","","","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2018872","8.129","","16.051","","3.539","","90","","100.94","","90","","453.372","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca5 F (B O3)3","","- B3 Ca5 F O9 -","- B3 Ca5 F O9 -","- B6 Ca10 F2 O18 -","2","0.5","","Huang, Q.; Zheng, Y.; Lei, S.; Chen, C.; Jiang, A.","Structure of calcium fluoroborate, Ca5 (B O3)3 F","Acta Crystallographica C (39,1983-)","1989","45","","1861","1863","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2021827","7.2053","0.0007","25.253","0.002","6.5134","0.0006","90","","120.939","0.006","90","","1016.52","0.17","173","2","173","2","","","","","","","","4","C 1 m 1","C -2y","8","","3-Nitrophenol‒1,3,6,8-tetraazatricyclo[4.3.1.1^3,8^]undecane (2:1)","","- C19 H24 N6 O6 -","- C19 H24 N6 O6 -","- C38 H48 N12 O12 -","2","0.5","SK3740","Rivera, Augusto; Rojas, Jicli José; Sadat-Bernal, John; Ríos-Motta, Jaime; Bolte, Michael","Mechanochemical synthesis and X-ray structural characterization of three 3-nitrophenol cocrystals with three aminal cage azaadamantanes: the role of the stereoelectronic effect on intermolecular hydrogen-bonding patterns","Acta Crystallographica Section C","2019","75","12","","","10.1107/S205322961901516X","","","0.71073","MoKα","","0.0457","0.0391","","","0.0911","0.0937","","","","","","1.049","","","","has coordinates,has Fobs","232465","2020-10-21","18:00:00",""
"2100080","13.796","","16.637","","9.462","","90","","124.43","","90","","1791.3","","","","","","","","","","","","","6","C 1 m 1","","","","","","- C38 H39 Mo N O4 P2 -","- C38 H39 Mo N O4 P2 -","- C76 H78 Mo2 N2 O8 P4 -","2","0.5","BK0148","Richard E. Marsh","Space group <i>P</i>1: an update","Acta Crystallographica Section B","2005","61","3","359","359","10.1107/S0108768105009651","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105071","7.7193","0.0007","8.6842","0.0007","6.3139","0.0005","90","","96.25","0.009","90","","420.74","0.06","298","0.2","298","0.2","","","","","","","","6","C 1 m 1","C -2y","8","","pyridinium chlorochromate","","- C5 H6 Cl Cr N O3 -","- C5 H6 Cl Cr N O3 -","- C10 H12 Cl2 Cr2 N2 O6 -","2","0.5","EB5013","Małuszyńska, Hanna; Czarnecki, Piotr; Czarnecka, Anna; Pajak, Zdzisław","Structures and phase transitions in a new ferroelectric ‒ pyridinium chlorochromate ‒ studied by X-ray diffraction, DSC and dielectric methods","Acta Crystallographica Section B","2012","68","2","128","136","10.1107/S0108768112005782","","","0.71073","MoKα","","0.0586","0.0371","","","0.0816","0.0877","","","","","","0.819","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2105988","5.5033","0.0003","9.5289","0.0005","7.3328","0.0005","90","","104.493","0.006","90","","372.3","0.04","293","","293","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Fe3.539 H4 O9 Si1.461 -","- Fe3.538 H4 O9 Si1.462 -","- Fe7.076 H8 O18 Si2.924 -","2","0.5","WF5112","Hybler, Jiří","Refinement of cronstedtite-1<i>M</i>","Acta Crystallographica Section B","2014","70","6","963","972","10.1107/S2052520614020897","","","0.71073","MoKα","","0.0271","0.0242","","","0.0342","0.035","","","","","","1.64","","","","has coordinates,has Fobs","176768","2020-10-21","18:00:00",""
"2106048","15.38","","3.61","","7.37","","90","","102","","90","","400.254","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu1.82 V4 O11","","- Cu1.82 O11 V4 -","- Cu1.82 O11 V4 -","- Cu3.64 O22 V8 -","2","0.5","","Galy, J.; Lavaud, D.","Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1005","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","140764","2020-10-21","18:00:00",""
"2107231","16.65","","14.082","","17.82","","90","","143.3","","90","","2496.98","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","La3 Mn S6","","- La2.98364 Mn S5.45455 -","- La2.98364 Mn S5.45455 -","- La32.82 Mn11 S60 -","11","2.75","","Collin, G.; Laruelle, P.","Structure cristalline de La32,66 M11 S6 (M= Mn, Fe)","Acta Crystallographica B (24,1968-38,1982)","1974","30","","1134","1139","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2108260","7.1015","0.0012","11.7489","0.0017","8.1954","0.0014","90","","98.087","0.014","90","","676.98","0.19","295.9","0.7","295.9","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- Cu0.184 F3 H8 Mg0.816 O12 U3 -","- Cu0.184 F3 Mg0.816 O12 U3 -","- Cu0.368 F6 Mg1.632 O24 U6 -","2","0.5","","Plášil, Jakub; Kampf, Anthony R.; Škoda, Radek; Čejka, Jiří","Nollmotzite, Mg[U^V^(U^VI^O~2~)~2~O~4~F~3~]·4H~2~O, the first natural uranium oxide containing fluorine","Acta Crystallographica Section B","2018","74","4","","","10.1107/S2052520618007321","","x-ray","0.71073","MoKα","","0.0551","0.0369","","","0.0757","0.088","","","","1.09","1.09","1.09","","","","has coordinates,has Fobs","208715","2020-10-21","18:00:00",""
"2202397","13.0109","0.001","17.372","0.0014","7.8427","0.0006","90","","107.979","0.002","90","","1686.1","0.2","160","2","160","2","","","","","","","","5","C 1 m 1","C -2y","8","","catena-poly[[caesium(I)-μ-18-crown-6-caesium(I)-di-μ-2-amidopyridine] toluene]","","- C29 H42 Cs2 N4 O6 -","- C29 H42 Cs2 N4 O6 -","- C58 H84 Cs4 N8 O12 -","2","0.5","BT6368","Liddle, Stephen T.; Clegg, William","Polymeric (18-crown-6)bis(2-amidopyridinecaesium) toluene solvate","Acta Crystallographica Section E","2003","59","11","m1062","m1064","10.1107/S1600536803023821","","","0.71073","MoKα","","0.042","0.0284","","","0.06","0.065","","","","","","0.935","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2203622","7.9959","0.0007","6.8268","0.0007","17.2125","0.0017","90","","92.67","0.002","90","","938.55","0.16","103","1","103","1","","","","","","","","4","C 1 m 1","C -2y","8","","1-[1-(4-isopropylcyclohexyl)piperidin-4-yl]indolin-2-one","","- C22 H32 N2 O -","- C22 H32 N2 O -","- C44 H64 N4 O2 -","2","0.5","LH6199","Deschamps, Jeffrey R.; Parrish, Damon; Zaveri, Nurulain T.; Jiang, Faming","1-[1-(<i>trans</i>-4-Isopropylcyclohexyl)piperidin-4-yl]indolin-2-one, one of a novel series of nociceptin receptor ligands","Acta Crystallographica Section E","2004","60","5","o791","o792","10.1107/S1600536804008682","","","0.71073","MoKα","","0.0349","0.0339","","","0.0926","0.0932","","","","","","1.111","","","","has coordinates,has Fobs","176774","2020-10-21","18:00:00",""
"2216814","5.8316","0.001","19.691","0.007","14.623","0.002","90","","98.953","0.013","90","","1658.7","0.7","297","2","297","2","","","","","","","","5","C 1 m 1","C -2y","8","Dipotassium 4,4'-biphenyldisulfonate dihyrate","dipotassium biphenyl-4,4'-disulfonate dihydrate","","- C12 H12 K2 O8 S2 -","- C12 H12 K2 O8 S2 -","- C48 H48 K8 O32 S8 -","4","1","TK2210","Graham Smith; Urs D. Wermuth; Peter C. Healy","Dipotassium biphenyl-4,4'-disulfonate dihydrate: a coordination polymer","Acta Crystallographica Section E","2007","63","12","m3056","m3057","10.1107/S1600536807056930","","","0.71073","MoKα","","0.033","0.031","","","0.078","0.083","","","","","","0.88","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2217992","10.831","0.003","23.724","0.007","9.845","0.003","90","","108.213","0.008","90","","2403","1.2","173","0.1","173","0.1","","","","","","","","7","C 1 m 1","C -2y","8","","Chloridotris[tris(4-fluorophenyl)phosphine]rhodium(I) methanol solvate","","- C55 H40 Cl F9 O P3 Rh -","- C55 H40 Cl F9 O P3 Rh -","- C110 H80 Cl2 F18 O2 P6 Rh2 -","2","0.5","RK2075","Lorenzini, Fabio; Patrick, Brian O.; James, Brian R.","Chloridotris[tris(4-fluorophenyl)phosphine]rhodium(I) methanol solvate","Acta Crystallographica Section E","2008","64","4","m512","m513","10.1107/S1600536808005485","","","0.71073","MoKα","","0.0387","0.034","","","0.0727","0.075","","","","","","1.03","","","","has coordinates,has disorder,has Fobs","176787","2020-10-21","18:00:00",""
"2242413","13.9135","0.0014","21.9492","0.001","6.4529","0.0006","90","","128.314","0.016","90","","1546.2","0.4","173","2","173","2","","","","","","","","6","C 1 m 1","C -2y","8","","2-Bromo-1,3-dimethylimidazolium iodide chloroform 0.33-solvate","","- C5.33333 H8.33333 Br Cl I N2 -","- C5.33333 H8.33333 Br Cl I N2 -","- C32 H50 Br6 Cl6 I6 N12 -","6","1.5","HB7718","Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig","Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides","Acta Crystallographica Section E","2018","74","4","497","501","10.1107/S2056989018003390","","","0.71073","MoKα","","0.0224","0.0183","","","0.0341","0.0349","","","","","","0.953","","","","has coordinates,has Fobs","218928","2020-10-21","18:00:00",""
"2242690","8.1971","0.0014","13.942","0.002","7.4148","0.0011","90","","91.588","0.006","90","","847.1","0.2","301","","301","","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(nitro)(pyridine-κ<i>N</i>)cobalt(III)","","- C15 H19 Co N2 O6 -","- C15 H19 Co N2 O6 -","- C30 H38 Co2 N4 O12 -","2","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.0475","0.0396","","","0.0753","0.0831","","","","","","1.116","","","","has coordinates,has Fobs","211632","2020-10-21","18:00:00",""
"2242691","8.2459","0.0009","13.9603","0.0014","7.9222","0.0008","90","","96.997","0.004","90","","905.17","0.16","301","","301","2","","","","","","","","5","C 1 m 1","C -2y","8","","<i>trans</i>-Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(4-methylpyridine-κ<i>N</i>)(nitro)cobalt(III)","","- C16 H21 Co N2 O6 -","- C16 H21 Co N2 O6 -","- C32 H42 Co2 N4 O12 -","2","0.5","","Ohba, Shigeru; Tsuchimoto, Masanobu; Miyazaki, Hiroki","Investigation of nitro‒nitrito photoisomerization: crystal structures of <i>trans</i>-bis(acetylacetonato-<i>O</i>,<i>O</i>')(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)","Acta Crystallographica Section E","2018","74","11","1637","1642","10.1107/S2056989018014731","","","0.71073","MoKα","","0.0363","0.0309","","","0.0658","0.0737","","","","","","1.132","","","","has coordinates,has Fobs","211632","2020-10-21","18:00:00",""
"2243818","6.904","0.0012","7.7212","0.0013","5.726","0.001","90","","101.196","0.005","90","","299.43","0.09","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","Dizinc(II) hydroxidodioxidotellurate(IV) oxidoarsenate(V)","","- As H O7 Te Zn2 -","- As H O7 Te Zn2 -","- As2 H2 O14 Te2 Zn4 -","2","0.5","PK2657","Eder, Felix; Weil, Matthias","Crystal structure of Zn~2~(HTeO~3~)(AsO~4~)","Acta Crystallographica Section E","2021","77","5","555","558","10.1107/S2056989021004333","","","0.71073","MoKα","","0.0206","0.0192","","","0.0396","0.0399","","","","","","0.921","","","","has coordinates,has Fobs","264615","2021-04-28","05:15:31",""
"2300580","4.46","","3","","4.46","","90","","95.5","","90","","59.4","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","V2 D","","- D V2 -","- D V2 -","- D2 V4 -","2","0.5","","Westlake, D.G.; Mueller, M.H.; Knott, H.W.","Structural transitions at low temperature in vanadium deuterides of the Ti-V-H system","Journal of Applied Crystallography","1973","6","","206","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000307","8.0865","0.0002","16.0374","0.0007","3.54201","0.00011","90","","101.184","0.003","90","","450.63","0.03","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","dysprosium calcium oxoborate","","","- B3 Ca4 Dy O10 -","- B3 Ca4.001 Dy0.9996 O10 -","- B6 Ca8.002 Dy1.9992 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.024","0.024","","","0.0551","0.0551","","","","","","1.051","","","","has coordinates","269026","2021-09-07","13:57:43",""
"3000308","8.05839","0.00019","15.9814","0.0003","3.51846","0.00014","90","","101.115","0.003","90","","444.62","0.02","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","erbium calcium oxoborate","","","- B3 Ca4 Er O10 -","- B3 Ca4.0002 Er0.9998 O10 -","- B6 Ca8.0004 Er1.9996 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0178","0.0177","","","0.0425","0.0426","","","","","","1.081","","","","has coordinates","269025","2021-09-07","13:56:26",""
"3000309","8.0942","0.0004","16.0133","0.0004","3.55682","0.00009","90","","101.254","0.003","90","","452.15","0.03","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","gadolinium calcium oxoborate","","","- B3 Ca4 Gd O10 -","- B3 Ca3.9693 Gd1.0307 O10 -","- B6 Ca7.9386 Gd2.0614 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0195","0.0194","","","0.0412","0.0413","","","","","","1.059","","","","has coordinates","269027","2021-09-07","13:59:01",""
"3000310","8.1844","0.0008","16.0893","0.001","3.6306","0.0003","90","","101.369","0.009","90","","468.7","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","lanthanum calcium oxoborate","","","- B3 Ca4 La O10 -","- B3 Ca4.002 La0.998 O10 -","- B6 Ca8.004 La1.996 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0176","0.0175","","","0.0408","0.0409","","","","","","1.035","","","","has coordinates","269028","2021-09-07","14:00:04",""
"3000311","8.11934","0.00017","16.043","0.0004","3.59765","0.00011","90","","101.378","0.002","90","","459.41","0.02","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","neodymium calcium oxoborate","","","- B3 Ca4 Nd O10 -","- B3 Ca4.0008 Nd0.9992 O10 -","- B6 Ca8.0016 Nd1.9984 O20 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0201","0.02","","","0.0433","0.0433","","","","","","1.047","","","","has coordinates","269029","2021-09-07","14:01:16",""
"3000312","8.1267","0.0006","16.0711","0.0016","3.5862","0.0003","90","","101.315","0.007","90","","459.27","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","samarium calcium oxoborate","","","- B3 Ca4 O10 Sm -","- B3 Ca4 O10 Sm -","- B6 Ca8 O20 Sm2 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0336","0.0335","","","0.0793","0.0794","","","","","","1.075","","","","has coordinates","269030","2021-09-07","14:03:02",""
"3000313","8.0737","0.0002","16.0088","0.0005","3.52827","0.00011","90","","101.166","0.003","90","","447.4","0.02","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","yttrium calcium oxoborate","","","- B3 Ca4 O10 Y -","- B3 Ca4.0018 O10 Y0.9982 -","- B6 Ca8.0036 O20 Y1.9964 -","2","0.5","","Münchhalfen, Marie; Schreuer, Jürgen; Reuther, Christoph; Mehner, Erik; Stöcker, Hartmut","Elastic, piezoelectric, and dielectric properties of rare-earth calcium oxoborates RCa4O(BO3)3 (R = Er, Y, Dy, Gd, Sm, Nd, La)","Journal of Applied Physics","2021","130","9","095102","","10.1063/5.0061747","","","0.71073","MoKα","","0.0285","0.0277","","","0.0653","0.0661","","","","","","1.062","","","","has coordinates","269031","2021-09-07","14:04:24",""
"3000496","4.83","","2.82","","4.5","","90","","98","","90","","60.696","","","","","","","","","","","","","2","C 1 m 1","C -2y","","cobalt dioxide","","","- Co O2 -","","","","","","Hettler, Simon; Singha-Roy, Kankona; Arenal, Raul; Panchakarla, Leela","Stable CoO~2 Nanoscrolls With Outstanding Electrical Properties","To be published in Advanced Materials Interfaces","","","","","","","","","","electron300kV","","","","","","","","","","","","","","","","","","291191","2024-04-12","08:18:21","2024-09-12"
"4000077","13.854","0.0009","77.733","0.005","7.5814","0.0005","90","","121.055","0.001","90","","6994.3","0.8","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","bis(guanidinium)(4,4'-biphenyldisulfonate).3(2,7-dimethylnaphthalene)","","","- C75 H84 N9 O9 S3 -","- C75 H84 N9 O9 S3 -","- C300 H336 N36 O36 S12 -","4","1","","Pivovar, Adam M.; Holman, K. Travis; Ward, Michael D.","Shape-Selective Separation of Molecular Isomers with Tunable Hydrogen-Bonded Host Frameworks","Chemistry of Materials","2001","13","9","3018","","10.1021/cm0104452","","","0.71073","MoKα","","0.0598","0.0473","","","0.1087","0.1133","","","","","","0.994","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001055","11.6795","0.0003","19.9926","0.0006","8.9249","0.0003","90","","93.168","0.001","90","","2080.81","0.11","293","","293","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 Co3 N2 O14 S3 -","- C2 H12 Co3 N2 O14 S3 -","- C12 H72 Co18 N12 O84 S18 -","6","1.5","","Powell, Anthony V.; Leyva-Bailen, Patricia; Vaqueiro, Paz; Sanchez, Rodolfo D.","Co3(SO4)3(OH)2[enH2]: A NewS= 3/2 Kagome-Type Layered Sulfate with a Unique Connectivity","Chemistry of Materials","2009","21","18","4102","","10.1021/cm901765n","","","0.71073","MoKα","","0.022","0.0211","","0.0258","0.0255","0.0255","","","","","","1.0646","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001738","8.114","","16.061","","3.579","","90","","101.38","","90","","457.242","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca4 Sm O (B O3)3","","- B3 Ca4 O10 Sm -","- B3 Ca4 O10 Sm -","- B6 Ca8 O20 Sm2 -","2","0.5","","Nygren, M.; Bovin, J.O.; Norrestam, R.","Structural investigations of new calcium-rare earth (R) oxyborates with the composition Ca4RO(BO3)3","Chemistry of Materials (1,1989-)","1992","4","","737","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001759","10.498797","0.000034","14.91631","0.00005","8.846944","0.000032","90","","106.057","0.0002","90","","1331.41","0.008","298","","298","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 F N2 O24 Si12 -","- C7 F N2 O24 Si12 -","- C14 F2 N4 O48 Si24 -","2","0.5","","Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A.","Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW","Chemistry of Materials","2013","25","5","729","","10.1021/cm303709e","powder diffraction","x-ray","1.55","","","","","","","","","0.06182","","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002530","4.9432","","25.134","","11.617","","90","","97.78","","90","","1430.04","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","(Pb0.83 Sr2.26 O3) (Co O2)1.8","","- Co1.8 O6.6 Pb0.83 Sr2.26 -","- Co1.8 O6.6 Pb0.83 Sr2.26 -","- Co18 O66 Pb8.3 Sr22.6 -","10","2.5","","Pelloquin, D.; Maignan, A.; Hervieu, M.; Hebert, S.; Martin, C.; Michel, C.; Wang, L.-B.; Raveau, B.","New misfit cobaltites (Pb0.7 A0.4 Sr1.9 O3) (Co O2)1.8 (A = Hg, Co)with large thermopower","Chemistry of Materials (1,1989-)","2002","14","","3100","3105","","","","","","","","","","","","","","","","","","","","","","has coordinates","157550","2020-10-21","18:00:00",""
"4002747","16.384","0.003","28.376","0.006","13.079","0.003","90","","95.57","0.03","90","","6052","2","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C57 H36 N12 Ni3 O18 -","- C57 H33 N12 Ni3 O18 -","- C114 H66 N24 Ni6 O36 -","2","0.5","","Jeong, Seok; Kim, Dongwook; Park, Jeongin; Shin, Sunyoung; Kim, Hyehyun; Jeong, Gyoung Hwa; Moon, Dohyun; Moon, Hoi Ri; Lah, Myoung Soo","Topology Conversions of Non-Interpenetrated Metal‒Organic Frameworks to Doubly Interpenetrated Metal‒Organic Frameworks","Chemistry of Materials","2017","29","9","3899","","10.1021/acs.chemmater.6b05277","","","0.71073","MoKα","","0.2243","0.1322","","","0.313","0.3923","","","","","","1.016","","","","has coordinates","197392","2020-10-21","18:00:00",""
"4003232","8.0892","0.0008","15.9002","0.0017","3.5273","0.0004","90","","101.662","0.01","90","","444.32","0.08","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C3 Ca2 F Na3 O9 -","- C3 Ca2 F Na3 O9 -","- C6 Ca4 F2 Na6 O18 -","2","0.5","","Luo, Min; Song, Yunxia; Lin, Chensheng; Ye, Ning; Cheng, Wendan; Long, XiFa","Molecular Engineering as an Approach To Design a New Beryllium-Free Fluoride Carbonate as a Deep-Ultraviolet Nonlinear Optical Material","Chemistry of Materials","2016","28","7","2301","","10.1021/acs.chemmater.6b00360","","","0.71073","MoKα","","0.0224","0.0213","","","0.0423","0.0427","","","","","","1.076","","","","has coordinates","231450","2020-10-21","18:00:00",""
"4003384","13.2025","0.0014","7.2951","0.0007","11.7574","0.0012","90","","119.71","0.004","90","","983.54","0.18","273","2","273","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C2 H12 F N6 O3 P -","- C2 H12 F N6 O3 P -","- C8 H48 F4 N24 O12 P4 -","4","1","","Xiong, Lin; Chen, Jie; Lu, Jing; Pan, Chun-Ya; Wu, Li-Ming","Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials","Chemistry of Materials","2018","30","21","7823","","10.1021/acs.chemmater.8b03310","","","0.71073","MoKα","","0.0569","0.0465","","","0.0949","0.0988","","","","","","1.144","","","","has coordinates","231558","2020-10-21","18:00:00",""
"4003665","13.096","0.01","5.955","0.004","7.727","0.006","90","","92.877","0.012","90","","601.8","0.8","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 O9 Rb2 Se3 -","- Bi2 F2 O9 Rb2 Se3 -","- Bi4 F4 O18 Rb4 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.0354","0.0328","","","0.0605","0.0617","","","","","","1.025","","","","has coordinates","255834","2020-10-21","18:00:00",""
"4003666","12.8396","0.0005","5.8831","0.0003","7.6506","0.0003","90","","93.076","0.003","90","","577.07","0.04","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Bi2 F2 K2 O9 Se3 -","- Bi2 F2 K2 O9 Se3 -","- Bi4 F4 K4 O18 Se6 -","2","0.5","","Shi, Shuangshuang; Lin, Chensheng; Yang, Guangsai; Cao, Liling; Li, Bingxuan; Yan, Tao; Luo, Min; Ye, Ning","A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c02837","","","0.71073","MoKα","","0.045","0.0449","","","0.1132","0.1134","","","","","","1.019","","","","has coordinates","255835","2020-10-21","18:00:00",""
"4022639","20.31","0.004","20.105","0.003","27.042","0.005","90","","99.637","0.003","90","","10887","3","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C391 H66 Cl18 O10 -","- C391 H66 Cl18 O10 -","- C782 H132 Cl36 O20 -","2","0.5","","Michael Sander; Thibaut Jarrosson; Shih-Ching Chuang; Saeed I. Khan; Yves Rubin","Approaches to Open Fullerenes: Synthesis and Thermal Stability of cis-1 Bis(isobenzofuran) Diels-Alder Adducts of C~60~","Journal of Organic Chemistry","2007","72","","2724","2731","10.1021/jo061987b","","","0.71073","MoKα","","0.1476","0.0569","","","0.1129","0.1396","","","","","","0.883","","","","has coordinates,has disorder","178405","2020-10-21","18:00:00",""
"4029287","7.6467","0.0015","24.339","0.007","17.615","0.003","90","","94.85","0.03","90","","3266.6","1.3","173","2","173","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C39 H39 N9 -","- C39 H39 N9 -","- C156 H156 N36 -","4","1","","Fa, Shi-Xin; Wang, Li-Xia; Wang, De-Xian; Zhao, Liang; Wang, Mei-Xiang","Synthesis, Structure, and Fullerene-Complexing Property of Azacalix[6]aromatics.","The Journal of organic chemistry","2014","79","8","3559","3571","10.1021/jo5003714","","","0.71073","MoKα","","0.0892","0.084","","","0.2186","0.2235","","","","","","1.124","","","","has coordinates","178471","2020-10-21","18:00:00",""
"4029707","5.1513","0.0007","25.835","0.003","6.7094","0.001","90","","99.501","0.017","90","","880.7","0.2","200","2","200","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H20 N4 O2 -","- C18 H22 N4 O4 -","- C36 H44 N8 O8 -","2","0.5","","Sell, Hanno; Näther, Christian; Herges, Rainer","Amino-substituted diazocines as pincer-type photochromic switches.","Beilstein journal of organic chemistry","2013","9","","1","7","10.3762/bjoc.9.1","","","0.71073","MoKα","","0.0864","0.0571","","","0.1046","0.1155","","","","","","1.024","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4030523","11.613","0.002","16.468","0.002","5.722","0.001","90","","117.38","0.01","90","","971.7","0.3","","","293","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- H10 Mo3 N2 O S13 -","- H8 Mo3 N2 O S13 -","- H16 Mo6 N4 O2 S26 -","2","0.5","","Muller, A.; Diemann, E.; Krickemeyer, E.; Walberg, H.-J.; Bogge, H.; Armatage, A.","[MO3IVS(S2)6]2- from amorphous MoS3 by the reaction with OH- and R = 0.015 structure of (NH4)2[MO3IVS(S2)6].H2O","European Journal of Solid State and Inorganic Chemistry","1993","30","","565","572","","","x-ray","0.71073","MoKα","","","0.015","","","0.021","","","","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030525","6.743","0.001","11.683","0.001","7.191","0.002","90","","90.02","","90","","566.5","0.19","","","294","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- F14 Sr4 Zn3 -","- F14 Sr4 Zn3 -","- F28 Sr8 Zn6 -","2","0.5","","Karim, M.; El-Ghozzi, M.; Latouche, C.; Avignant, D.","Crystal structure of Sr4Zn3F14 : a new stoichiometry in MF2-M'F2 systems","European Journal of Solid State and Inorganic Chemistry","1993","30","","595","607","","","x-ray","0.71069","MoKα","","","0.041","","","0.048","","","","","","","","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4032789","7.693","0.0002","6.6662","0.0002","7.3655","0.0002","90","","101.9","0.0012","90","","369.608","0.018","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","0.5","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0232","0.0232","","","0.0606","0.0606","","","","","","1.129","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4060377","8.94","0.002","14.049","0.003","8.0857","0.0018","90","","122.452","0.004","90","","857","0.3","223","2","223","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C15 H26 Ru S3 -","- C15 H26 Ru S3 -","- C30 H52 Ru2 S6 -","2","0.5","","Hon Man Lee","","Organometallics","2005","","","","","10.1021/om049081o","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178492","2020-10-21","18:00:00",""
"4068113","7.7806","0.0015","16.546","0.003","5.5726","0.001","90","","98.455","0.01","90","","709.6","0.2","120","2","120","2","","","","","","","","5","C 1 m 1","C -2y","8","","dibromo-methyl(1,10-phenanthroline-N,N')antimony(III)","","- C13 H11 Br2 N2 Sb -","- C13 H11 Br2 N2 Sb -","- C26 H22 Br4 N4 Sb2 -","2","0.5","","Benjamin, Sophie L.; Levason, William; Reid, Gillian; Warr, Robert P.","Halostibines SbMeX2and SbMe2X: Lewis Acids or Lewis Bases?","Organometallics","2012","31","3","1025","","10.1021/om2010996","","","0.71073","MoKα","","0.0182","0.018","","","0.0411","0.0414","","","","","","0.916","","","","has coordinates","178571","2020-10-21","18:00:00",""
"4073996","20.6064","0.0011","15.2933","0.0008","11.5848","0.0006","90","","111.056","0.001","90","","3407.1","0.3","563","2","563","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C50 H74 B3 Cl5 F12 N6 Ru4 -","- C50 H74 B3 Cl5 F12 N6 Ru4 -","- C100 H148 B6 Cl10 F24 N12 Ru8 -","2","0.5","","Viciano, Mónica; Sanaú, Mercedes; Peris, Eduardo","Ruthenium Janus-Head Complexes with a Triazolediylidene Ligand. Structural Features and Catalytic Applications","Organometallics","2007","26","24","6050","","10.1021/om7007919","","","0.71073","MoKα","","0.072","0.0501","","","0.1397","0.1535","","","","","","1.048","","","","has coordinates","178628","2020-10-21","18:00:00",""
"4079766","12.1149","0.0004","13.5272","0.0003","8.3474","0.0003","90","","99.737","0.001","90","","1348.27","0.07","133","2","133","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C26 H39 Ca I O4 -","- C26 H39 Ca I O4 -","- C52 H78 Ca2 I2 O8 -","2","0.5","","Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias","Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides","Organometallics","2012","31","24","8647","","10.1021/om301087e","","","0.71073","MoKα","","0.0223","0.0219","","","0.0484","0.0486","","","","","","1.036","","","","has coordinates,has disorder","178686","2020-10-21","18:00:00",""
"4081429","11.4524","0.00007","14.56303","0.00008","7.24125","0.00004","90","","104.109","0.0006","90","","1171.28","0.012","110","1","110","1","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H37 Cl4 N Ni P2 -","- C16 H37 Cl4 N Ni P2 -","- C32 H74 Cl8 N2 Ni2 P4 -","2","0.5","","Kruckenberg, Achim; Wadepohl, Hubert; Gade, Lutz H.","Bis(diisopropylphosphinomethyl)amine Nickel(II) and Nickel(0) Complexes: Coordination Chemistry, Reactivity, and Catalytic Decarbonylative C‒H Arylation of Benzoxazole","Organometallics","2013","32","18","5153","","10.1021/om400711d","","x-ray","0.7107","MoKα","","0.0148","0.0147","","","0.0367","0.0367","","","","","","1.059","","","","has coordinates","178703","2020-10-21","18:00:00",""
"4085839","15.461","0.004","17.256","0.004","11.892","0.003","90","","100.563","0.003","90","","3119","1.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C54 H110 N2 Os2 P4 -","- C54 H110 N2 Os2 P4 -","- C108 H220 N4 Os4 P8 -","2","0.5","","Eguillor, Beatriz; Esteruelas, Miguel A.; Fernández, Israel; Gómez-Gallego, Mar; Lledós, Agustí; Martín-Ortiz, Mamen; Oliván, Montserrat; Oñate, Enrique; Sierra, Miguel A.","Azole Assisted C‒H Bond Activation Promoted by an Osmium-Polyhydride: Discerning between N and NH","Organometallics","2015","34","10","1898","","10.1021/acs.organomet.5b00174","","","0.71073","MoKα","","0.0372","0.0298","","","0.0696","0.0731","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4088189","11.7157","0.0019","17.054","0.003","6.2809","0.001","90","","112.405","0.001","90","","1160.2","0.3","150","","150","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H36 Pb Si4 -","- C16 H36 Pb Si4 -","- C32 H72 Pb2 Si8 -","2","0.5","","Lee, Vladimir Ya.; Gapurenko, Olga A.; Ito, Yuki; Meguro, Takahiko; Sugasawa, Haruka; Sekiguchi, Akira; Minyaev, Ruslan M.; Minkin, Vladimir I.; Herber, Rolfe H.; Gornitzka, Heinz","Pyramidanes: The Covalent Form of the Ionic Compounds","Organometallics","2016","35","3","346","","10.1021/acs.organomet.5b00924","","","0.71073","MoKα","","0.0189","0.0189","","","0.046","0.046","","","","","","1.065","","","","has coordinates","237351","2020-10-21","18:00:00",""
"4101859","8.044","0.002","15.913","0.005","3.4891","0.001","90","","100.08","0.02","90","","439.7","0.2","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Bi Cd4 O10 -","- B3 Bi Cd4 O10 -","- B6 Bi2 Cd8 O20 -","2","0.5","","Wei-Long Zhang; Wen-Dan Cheng; Hao Zhang; Lei Geng; Chen-Sheng Lin; Zhang-Zhen He","A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures","Journal of the American Chemical Society","2010","132","","1508","1509","10.1021/ja9091209","","","0.71073","MoKα","","0.0411","0.0383","","","0.0806","0.0829","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112882","10.336","0.0004","15.0177","0.0006","8.8639","0.00035","90","","105.356","0.0029","90","","1326.76","0.09","298","","298","","","","","","","","","2","C 1 m 1","C -2y","8","zeolite ITQ-12","[Si24O48]-ITW-ITQ-12","","- O48 Si24 -","- O12 Si6 -","- O48 Si24 -","4","1","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","","0.71026","synchrotron","","","","","","","","","","6.32","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4112883","10.44783","0.00029","14.9854","0.0004","8.83659","0.00027","90","","105.935","0.0019","90","","1330.34","0.07","298","","298","","","","","","","","Synth-as-deiscribed","5","C 1 m 1","C -2y","8","ITQ-12","","","- C6 F N2 O24 Si12 -","- C5.5 F N2 O24 Si12 -","- C11 F2 N4 O48 Si24 -","2","0.5","","Xiaobo Yang; Miguel A. Camblor; Yongjae Lee; Haiming Liu; David H. Olson","Synthesis and Crystal Structure of As-Synthesized and Calcined Pure Silica Zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","10.1021/ja0481474","","x-ray","0.71026","Synchrotron","","","","","","","","0.07495","","5.88","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4114343","10.955","0.0006","14.568","0.0008","6.737","0.0002","90","","99.408","0.003","90","","1060.71","0.09","110","2","110","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H36 Cl2 F2 P2 Pd -","- C16 H36 Cl2 F2 P2 Pd -","- C32 H72 Cl4 F4 P4 Pd2 -","2","0.5","","Anette Yahav; Israel Goldberg; Arkadi Vigalok","Synthesis of the Elusive (R3P)2MF2 (M = Pd, Pt) Complexes","Journal of the American Chemical Society","2003","125","","13634","13635","10.1021/ja0377753","","","0.71073","MoKα","","0.044","0.0375","","","0.0744","0.0774","","","","","","1.066","","","","has coordinates","178914","2020-10-21","18:00:00",""
"4119946","11.742","0.002","17.046","0.003","6.316","0.0013","90","","112.5","0.03","90","","1167.9","0.5","150","","150","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C16 H36 Si4 Sn -","- C16 H36 Si4 Sn -","- C32 H72 Si8 Sn2 -","2","0.5","","Vladimir Ya. Lee; Yuki Ito; Akira Sekiguchi; Heinz Gornitzka; Olga A. Gapurenko; Vladimir I. Minkin; Ruslan M. Minyaev","Pyramidanes","Journal of the American Chemical Society","2013","135","","8794","8797","10.1021/ja403173e","","","0.71073","MoKα","","0.0131","0.0131","","","0.033","0.033","","","","","","1.19","","","","has coordinates","178970","2020-10-21","18:00:00",""
"4124116","10.44783","","14.9854","","8.83659","","90","","105.935","","90","","1330.33","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","C11.5 N4 H22 F2 (Si24 O48)","","- C10 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","- C11 F2 N4 O48 Si24 -","1","0.25","","Yang, X.; Camblor, M.A.; Olson, D.H.; Liu, H.; Lee, Y.","Synthesis and crystal structure of as-synthesized and calcined silica zeolite ITQ-12","Journal of the American Chemical Society","2004","126","","10403","10409","","","","","","","","","","","","","","","","","","","","","","has coordinates","151946","2020-10-21","18:00:00",""
"4130988","29.525","0.006","23.121","0.004","14.177","0.003","90","","103.333","0.006","90","","9417","3","100","","100","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C64 H72 Au8 F24 N30 P4 -","- C64 H72 Au8 F24 N30 P4 -","- C256 H288 Au32 F96 N120 P16 -","4","1","","Altmann, Philipp J.; Pöthig, Alexander","Pillarplexes: A Metal-Organic Class of Supramolecular Hosts.","Journal of the American Chemical Society","2016","138","40","13171","13174","10.1021/jacs.6b08571","","x-ray","0.71073","MoKα","","0.0488","0.0375","","","0.0893","0.0952","","","","","","1.034","","","","has coordinates","241308","2020-10-21","18:00:00",""
"4134134","12.876","0.002","19.258","0.003","3.752","0.0007","90","","90.828","0.003","90","","930.3","0.3","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C4 H9 Cl N8 O2 -","- C4 H9 Cl N8 O2 -","- C16 H36 Cl4 N32 O8 -","4","1","","Huang, Wei; Tang, Yongxing; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Nitrogen-Rich Tetrazolo[1,5-b]pyridazine: Promising Building Block for Advanced Energetic Materials.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c00161","","","0.71073","MoKα","","0.0658","0.0417","","","0.0835","0.0928","","","","","","1.023","","","","has coordinates","247958","2020-10-21","18:00:00",""
"4134813","8.4615","0.0017","8.465","0.0017","16.004","0.003","90","","89.99","0.03","90","","1146.3","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 H21 Br7 N4 Pb2 -","- C7 H21 Br7 N4 Pb2 -","- C14 H42 Br14 N8 Pb4 -","2","0.5","","Mao, Lingling; Guo, Peijun; Kepenekian, Mikaël; Spanopoulos, Ioannis; He, Yihui; Katan, Claudine; Even, Jacky; Schaller, Richard D.; Seshadri, Ram; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.","Organic Cation Alloying on Intralayer A and Interlayer A' sites in 2D Hybrid Dion-Jacobson Lead Bromide Perovskites (A')(A)Pb<sub>2</sub>Br<sub>7</sub>.","Journal of the American Chemical Society","2020","","","","","10.1021/jacs.0c01625","","","0.71073","MoKα","","0.056","0.046","","","0.1138","0.1196","","","","","","1.076","","","","has coordinates,has disorder","251230","2020-10-21","18:00:00",""
"4305720","11.229","0.002","12.259","0.003","7.008","0.0014","90","","104.11","0.03","90","","935.6","0.4","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","cis-[Dichloridotetrakis(imidazole)ruthenium(III)]chloride","","- C12 H16 Cl3 N8 Os -","- C12 H16 Cl3 N8 Os -","- C24 H32 Cl6 N16 Os2 -","2","0.5","","Iryna Stepanenko; Artem A. Krokhin; Roland O. John; Alexander Roller; Vladimir B. Arion; Michael A. Jakupec; Bernhard K. Keppler","Synthesis, Structure, Spectroscopic Properties, and Antiproliferative Activity In Vitro of Novel Osmium(III) Complexes with Azole Heterocycles","Inorganic Chemistry","2008","47","","7338","7347","10.1021/ic8006958","","","0.71073","MoKα","","0.0164","0.0155","","","0.0354","0.0363","","","","","","1.016","","","","has coordinates","179095","2020-10-21","18:00:00",""
"4307287","9.6047","0.0019","21.543","0.004","9.32","0.0019","90","","105.398","0.016","90","","1859.2","0.6","120","2","120","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H39 B Cl7 Co N9 -","- C23 H39 B Cl7 Co N9 -","- C46 H78 B2 Cl14 Co2 N18 -","2","0.5","","Finith E. Jernigan; Nathan A. Sieracki; Michael T. Taylor; Aaron S. Jenkins; Sharon E. Engel; Brittany W. Rowe; Fernando A. Jové; Glenn P. A. Yap; Elizabeth T. Papish; Gregory M. Ferrence","Sterically Bulky Tris(triazolyl)borate Ligands as Water-Soluble Analogues of Tris(pyrazolyl)borate","Inorganic Chemistry","2007","46","","360","362","10.1021/ic061828a","","","0.71073","MoKα","","0.0651","0.049","","","0.0906","0.0955","","","","","","1.016","","","","has coordinates","179110","2020-10-21","18:00:00",""
"4310272","7.3277","0.0006","25.005","0.002","5.3681","0.0004","90","","128.929","0.001","90","","765.16","0.11","160","2","160","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C14 H6 Ag N7 O3 -","- C14 H6 Ag N7 O3 -","- C28 H12 Ag2 N14 O6 -","2","0.5","","Ping Lin; Richard A. Henderson; Ross W. Harrington; William Clegg; Chuan-De Wu; Xin-Tao Wu","New 1- and 2-Dimensional Polymeric Structures of Cyanopyridine Complexes of AgI and CuI","Inorganic Chemistry","2004","43","","181","188","10.1021/ic030254w","","","0.71073","MoKα","","0.0186","0.0185","","","0.0427","0.0427","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4311225","17.586","0.004","14.211","0.003","12.943","0.003","90","","109.96","0.03","90","","3040.3","1.3","133","2","133","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C39 H80 Cl2 N13 O20 P Zn4 -","- C39 H66 Cl2 N13 O20.22 P Zn4 -","- C78 H132 Cl4 N26 O40.44 P2 Zn8 -","2","0.5","","Bernhard Bauer-Siebenlist; Franc Meyer; Etelka Farkas; Denis Vidovic; Jose Antonio Cuesta-Seijo; Regine Herbst-Irmer; Hans Pritzkow","Correlation of Structure and Function in Oligonuclear Zinc(II) Model Phosphatases","Inorganic Chemistry","2004","43","","4189","4202","10.1021/ic035491d","","","0.71073","MoKα","","0.0644","0.0617","","","0.1468","0.1486","","","","","","1.034","","","","has coordinates,has disorder","179151","2020-10-21","18:00:00",""
"4313843","11.917","0.006","16.255","0.008","11.025","0.005","90","","108.76","0.005","90","","2022.2","1.7","298","2","298","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C32 H70 Li2 N6 O2 P2 -","- C32 H73 Li2 N6 O2 P2 -","- C64 H146 Li4 N12 O4 P4 -","2","0.5","","Tristram Chivers; Mark Krahn; Gabriele Schatte; Masood Parvez","Lithiation of Tris(alkyl- and arylamido)orthophosphates EP[N(H)R]3 (E = O, S, Se): Imido Substituent Effects and PE Bond Cleavage","Inorganic Chemistry","2003","42","","3994","4005","10.1021/ic034151p","","","0.71073","MoKα","","0.0915","0.0422","","","0.0894","0.106","","","","","","0.921","","","","has coordinates,has disorder","179204","2020-10-21","18:00:00",""
"4314415","11.0769","0.0017","10.2263","0.0016","6.0199","0.0009","90","","112.153","0.003","90","","631.57","0.17","273","2","273","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C8 H6 Ag F6 N4 O P S -","- C8 H6 Ag F6 N4 O P S -","- C16 H12 Ag2 F12 N8 O2 P2 S2 -","2","0.5","","Chong-Qing Wan; Liang Zhao; Thomas C. W. Mak","Dipyrazinyl Sulfoxide Complexes of Silver(I), Zinc(II), and Cadmium(II): Ligation Modes and Anion Tuning","Inorganic Chemistry","2010","49","","97","107","10.1021/ic901521j","","","0.71073","MoKα","","0.0218","0.0214","","","0.0511","0.0513","","","","","","1.071","","","","has coordinates","179218","2020-10-21","18:00:00",""
"4318258","14.0495","0.0002","12.8058","0.0003","9.2637","0.0002","90","","128.406","0.001","90","","1306.06","0.05","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 Ge10 N4 O22 -","- C6 Ge10 N4 O22 -","- C12 Ge20 N8 O44 -","2","0.5","","Lionel Beitone; Thierry Loiseau; Gérard Férey","Hydrothermal Synthesis and Structural Characterization of a New Organically Templated Germanate, Ge10O21(OH).N4C6H21","Inorganic Chemistry","2002","41","","3962","3966","10.1021/ic020193m","","","0.71073","MoKα","","0.0568","0.0468","","","0.1103","0.1174","","","","","","1.042","","","","has coordinates","179262","2020-10-21","18:00:00",""
"4320514","13.09","0.003","19.775","0.004","9.6856","0.0019","90","","126.75","0.03","90","","2008.9","1.1","293","2","293","2","","","","","","","","8","C 1 m 1","C -2y","8","(Et4N)2[(Cl4-cat)Mo(MeCN)Fe3S4Cl3]","","","- C24 H43 Cl7 Fe3 Mo N3 O2 S4 -","- C24 Cl7 Fe3 Mo N3 O2 S4 -","- C48 Cl14 Fe6 Mo2 N6 O4 S8 -","2","0.5","","Jaehong Han; Markos Koutmos; Saleem Al Ahmad; Dimitri Coucouvanis","Rational Synthesis of High Nuclearity Mo/Fe/S Clusters: The Reductive Coupling Approach in the Convenient Synthesis of (Cl4-cat)2Mo2Fe6S8(PR3)6 [R = Et, nPr, nBu] and the New [(Cl4-cat)2Mo2Fe2S3O(PEt3)3Cl].1/2(Fe(PEt3)2(MeCN)4) and (Cl4-cat)2Mo2Fe3S5(PEt3)5 Clusters","Inorganic Chemistry","2001","40","","5985","5999","10.1021/ic0104914","","","0.71073","MoKα","","0.0542","0.0494","","","0.1262","0.1354","","","","","","1.074","","","","has coordinates","179308","2020-10-21","18:00:00",""
"4324929","16.6852","0.0019","16.0034","0.0007","11.2335","0.0013","90","","131.437","0.019","90","","2248.7","0.8","290","2","290","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C20 H43 B22 F22 Hg N3 -","- C20 H43 B22 F22 Hg N3 -","- C40 H86 B44 F44 Hg2 N6 -","2","0.5","","Alexander Himmelspach; Manfred Zähres; Maik Finze","Salts of the Lewis-Acidic Dianion [Hg(closo-1-CB11F11)2]2-: Coordination of Acetonitrile and Water","Inorganic Chemistry","2011","50","","3186","3188","10.1021/ic200330d","","","0.71073","MoKα","","0.0264","0.0263","","","0.0593","0.0595","","","","","","1.014","","","","has coordinates","179352","2020-10-21","18:00:00",""
"4326003","21.5152","0.0003","4.3005","0.0001","14.3761","0.0002","90","","110.017","0.001","90","","1249.81","0.04","296","2","296","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- As2 Ca2 Cd -","- As2 Ca2 Cd -","- As20 Ca20 Cd10 -","10","2.5","","Jian Wang; Min Yang; Ming-Yan Pan; Sheng-Qing Xia; Xu-Tang Tao; Hua He; Gregory Darone; Svilen Bobev","Synthesis, Crystal and Electronic Structures, and Properties of the New Pnictide Semiconductors A2CdPn2 (A= Ca, Sr, Ba, Eu;Pn= P, As)","Inorganic Chemistry","2011","50","","8020","8027","10.1021/ic200286t","","","0.71073","MoKα","","0.0637","0.0461","","","0.0747","0.0816","","","","","","0.987","","","","has coordinates","179363","2020-10-21","18:00:00",""
"4331410","12.999","","7.555","","6.612","","90","","118.84","","90","","568.809","","","","","","","","","","","","","2","C 1 m 1","C -2y","8","","","","- Ag3 P11 -","- Ag3 P11 -","- Ag6 P22 -","2","0.5","","Jeitschko, W.; Moeller, M.H.","Preparation and crystal structure of trisilver undecaphosphide, Ag3 P11, an unusual defect tetrahedral compound","Inorganic Chemistry","1981","20","","833","839","10.1021/ic50217a040","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4331829","19.9674","0.0005","23.4892","0.0007","5.15189","0.00015","90","","102.757","0.0023","90","","2356.69","0.12","298","","","","","","","","","","","5","C 1 m 1","C -2y","8","rubidium triflate","rubidium trifluoromethyl sulfonate","","- C F3 O3 Rb S -","- C F3 O3 Rb S -","- C16 F48 O48 Rb16 S16 -","16","4","","Hildebrandt, Lars; Dinnebier, Robert; Jansen, Martin","Crystal Structure and Ionic Conductivity of Three Polymorphic Phases of Rubidium Trifluoromethyl Sulfonate, RbSO3CF3","Inorganic Chemistry","2006","45","8","3217","3223","10.1021/ic0516313","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179421","2020-10-21","18:00:00",""
"4335679","12.1594","0.0011","11.8457","0.0011","8.5409","0.0008","90","","128.787","0.002","90","","958.92","0.16","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- F12 H2 O U3 -","- F12 H2 O U3 -","- F48 H8 O4 U12 -","4","1","","Jeongho Yeon; Mark D. Smith; Athena S. Sefat; T. Thao Tran; P. Shiv Halasyamani; Hans-Conrad zur Loye","U3F12(H2O), a Noncentrosymmetric Uranium(IV) Fluoride Prepared via a Convenient In Situ Route That Creates U4+ under Mild Hydrothermal Conditions","Inorganic Chemistry","2013","52","","8303","8305","10.1021/ic401412t","","","0.71073","MoKα","","0.0321","0.0308","","","0.0675","0.0681","","","","","","1.062","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4336779","5.33416","0.00007","5.33424","0.00007","4.70269","0.00003","90","","90.0935","0.0009","90","","133.809","0.003","573","","573","","","","","","","","","4","C 1 m 1","C -2y","8","Co doped 'bismuth ferrite","","","- Bi Co0.2 Fe0.8 O3 -","- Bi Co0.2 Fe0.8 O3 -","- Bi2 Co0.4 Fe1.6 O6 -","2","0.5","","Izabela Sosnowska; Masaki Azuma; Radosław Przeniosło; Dariusz Wardecki; Wei-tin Chen; Kengo Oka; Yuichi Shimakawa","Crystal and Magnetic Structure in Co-Substituted BiFeO3","Inorganic Chemistry","2013","52","","13269","13277","10.1021/ic402427q","powder diffraction","neutron","","TOFNeutronDiffraction","","","","","","","","","7.3079","","","","","","","","has coordinates","179470","2020-10-21","18:00:00",""
"4340875","14.074","0.002","21.28","0.003","9.6086","0.0015","90","","124.859","0.002","90","","2361.3","0.6","100","2","100","2","","","","","","","","8","C 1 m 1","C -2y","8","Rh2Br4(tfepma)2(4-F-C6H4NC)","","","- C25 H24 Br4 F25 N3 O8 P4 Rh2 -","- C25 H24 Br4 F25 N3 O8 P4 Rh2 -","- C50 H48 Br8 F50 N6 O16 P8 Rh4 -","2","0.5","","Powers, David C.; Hwang, Seung Jun; Zheng, Shao-Liang; Nocera, Daniel G.","Halide-Bridged Binuclear HX-Splitting Catalysts.","Inorganic chemistry","2014","53","17","9122","9128","10.1021/ic501136m","","","0.71073","MoKα","","0.0913","0.0544","","","0.0792","0.0897","","","","","","0.973","","","","has coordinates","179511","2020-10-21","18:00:00",""
"4341244","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Liao, Wei-Qiang; Ye, Heng-Yun; Fu, Da-Wei; Li, Peng-Fei; Chen, Li-Zhuang; Zhang, Yi","Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic-Inorganic Hybrid Phase Transition Compound [C6H11NH3]2CdCl4.","Inorganic chemistry","2014","53","20","11146","11151","10.1021/ic501749c","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","179515","2020-10-21","18:00:00",""
"4342499","6.1706","0.0019","17.748","0.005","11.474","0.004","90","","95.04","0.03","90","","1251.7","0.7","250","2","250","","","","","","","","","3","C 1 m 1","C -2y","8","","Bismuth Chromium Selenide","","- Bi1.5 Cr1.25 Se4 -","- Bi1.5 Cr1.25 Se4 -","- Bi12 Cr10 Se32 -","8","2","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","0.71073","MoKα","","0.3256","0.1362","","","0.3102","0.4516","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4342502","6.2044","0.0005","17.9594","0.0016","17.2313","0.0015","90","","93.537","0.007","90","","1916.4","0.3","250","","249.99","","","","","","","","","3","C 1 m 1","C -2y","8","","Bismuth Chromium Selenide","","- Bi1.5 Cr3 Se6.5 -","- Bi1.5 Cr3 Se6.5 -","- Bi12 Cr24 Se52 -","8","2","","Clarke, Samantha M.; Freedman, Danna E.","(BiSe)1.23CrSe2 and (BiSe)1.22(Cr1.2Se2)2: Magnetic Anisotropy in the First Structurally Characterized Bi-Se-Cr Ternary Compounds.","Inorganic chemistry","2015","54","6","2765","2771","10.1021/ic5029178","","x-ray","1.54178","CuKα","","0.177","0.1179","","","0.339","0.4036","","","","","","1.279","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4344256","10.432","","15.709","","6.472","","90","","112.86","","90","","977.304","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","H ((Ru (C O)3)4 H2 B)","","- C12 H3 B O12 Ru4 -","- C12 H3 B O12 Ru4 -","- C24 H6 B2 O24 Ru8 -","2","0.5","","Hong, F.E.; White, J.P.; McCarthy, D.A.; Cotrell, C.E.; Shore, S.G.","Reaction of THF.BH3 with H2 Ru4 (C O)13 and H4 Ru4 (C O)12; Preparation and Structure of the Tetraruthenium 'butterfly' cluster H Ru4 (C O)12 B H2","Inorganic Chemistry","1990","29","","2874","2876","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4347003","11.376","0.002","11.0267","0.0019","9.7439","0.0018","90","","91.499","0.01","90","","1221.9","0.4","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C16 H32 Cl6 Cu3 O4 -","- C16 H32 Cl6 Cu3 O4 -","- C32 H64 Cl12 Cu6 O8 -","2","0.5","","Becker, Sabine; Dürr, Maximilian; Miska, Andreas; Becker, Jonathan; Gawlig, Christopher; Behrens, Ulrich; Ivanović-Burmazović, Ivana; Schindler, Siegfried","Copper Chloride Catalysis: Do μ4-Oxido Copper Clusters Play a Significant Role?","Inorganic chemistry","2016","55","8","3759","3766","10.1021/acs.inorgchem.5b02576","","","0.71073","MoKα","","0.1012","0.0794","","","0.1764","0.1943","","","","","","1.133","","","","has coordinates,has disorder","232106","2020-10-21","18:00:00",""
"4349749","20.79","0.009","17.444","0.007","7.132","0.003","90","","108.868","0.014","90","","2447.5","1.8","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C18 H19 Ag F6 N3 O2 Sb -","- C18 H14 Ag F6 N3 O2 Sb -","- C72 H56 Ag4 F24 N12 O8 Sb4 -","4","1","","Das, Debarati; Biradha, Kumar","Metal‒organic gels of silver salts with an α,β-unsaturated ketone: the influence of anions and solvents on gelation","Inorganic Chemistry Frontiers","2017","4","8","1365","","10.1039/C7QI00328E","","","0.71073","MoKα","","0.1442","0.0788","","","0.1699","0.1954","","","","","","1.011","","","","has coordinates","235791","2020-10-21","18:00:00",""
"4503488","10.894","0.006","20.828","0.012","5.325","0.003","90","","104.344","0.01","90","","1170.6","1.1","298","2","298","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C15 H15 Cl5 Cu5 N3 S3 -","- C15 H15 Cl5 Cu5 N3 S3 -","- C30 H30 Cl10 Cu10 N6 S6 -","2","0.5","","Hao, Zheng-Ming; Zhang, Xian-Ming","Phosphorescent Acentric Cuprous Halide Coordination Polymers for Nolinear Optical Materials","Crystal Growth & Design","2008","8","7","2359","","10.1021/cg701208g","","","0.71073","MoKα","","0.073","0.0513","","","0.0904","0.102","","","","","","0.981","","","","has coordinates","179565","2020-10-21","18:00:00",""
"4503568","7.4415","0.0006","21.6629","0.0018","7.6726","0.0006","90","","108.05","0.001","90","","1175.99","0.16","294","2","294","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- Cs2 Hg3 I8 -","- Cs2 Hg3 I8 -","- Cs4 Hg6 I16 -","2","0.5","","Zhang, Gang; Qin, Jingui; Liu, Tao; Zhu, Tianxiang; Fu, Peizhen; Wu, Yicheng; Chen, Chuangtian","Synthesis, Characterization, and Crystal Growth of Cs2Hg3I8: A New Second-Order Nonlinear Optical Material","Crystal Growth & Design","2008","8","8","2946","","10.1021/cg800054x","","","0.71073","MoKα","","0.065","0.0611","","","0.1499","0.1554","","","","","","1.1","","","","has coordinates","179569","2020-10-21","18:00:00",""
"4506535","13.4915","0.0005","39.8655","0.0017","6.4622","0.0002","90","","107.925","0.002","90","","3307","0.2","123","2","123","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H12 I4 N2 -","- C6 H12 I4 N2 -","- C60 H120 I40 N20 -","10","2.5","","Peuronen, Anssi; Valkonen, Arto; Kortelainen, Minna; Rissanen, Kari; Lahtinen, Manu","Halogen Bonding-Based “Catch and Release”: Reversible Solid-State Entrapment of Elemental Iodine with Monoalkylated DABCO Salts","Crystal Growth & Design","2012","12","8","4157","","10.1021/cg300669t","","","0.71073","MoKα","","0.0627","0.0424","","","0.0912","0.1004","","","","","","1.044","","","","has coordinates","179601","2020-10-21","18:00:00",""
"4508350","13.7662","0.0002","16.8462","0.0003","8.50641","0.00011","90","","95.9664","0.0012","90","","1962.02","0.05","123","0.1","123","0.1","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C27 H45 F24 K N6 P4 -","- C27 H45 F24 K N6 P4 -","- C54 H90 F48 K2 N12 P8 -","2","0.5","","Peuronen, Anssi; Lehtimäki, Esa; Lahtinen, Manu","Self-Assembly of Water-Mediated Supramolecular Cationic Archimedean Solids","Crystal Growth & Design","2013","13","10","4615","","10.1021/cg401246n","","","1.5418","CuKα","","0.0335","0.0333","","","0.0895","0.0896","","","","","","1.043","","","","has coordinates,has disorder","179619","2020-10-21","18:00:00",""
"5000090","5.2","","8.92","","10.25","","90","","100","","90","","468.2","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Aluminium silicate hydroxide *","Halloysite","- Al2 H8 O11 Si2 -","- Al2 H16 O11 Si2 -","- Al4 H32 O22 Si4 -","2","0.5","","Mehmel, M","Ueber die Struktur von Halloysit und Metahalloysit.","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1935","90","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"5000156","12.706","0.007","7.26","0.004","3.6077","0.0009","90","","121.01","0.04","90","","285.23","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C H6 N4 O3 -","- C H12 N6 O5 -","- C2 H24 N12 O10 -","2","0.5","","Katrusiak, A.; Szafrański, M.","Structural phase transitions in guanidinium nitrate","Journal of Molecular Structure","1996","378","3","205","223","10.1016/0022-2860(95)09172-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"6000753","8.1732","","16.086","","3.6268","","90","","101.4","","90","","467.42","","","","","","","","","","","","","4","C 1 m 1","","","","","","- B3 Ca4 La O10 -","","","","","","Zhang, Y.; Chen, X. L.; Liang, J. K.; Cao, Y. G.; Xu, T.","Phase relations in the system La2O3-CaO-B2O3","Journal of Alloys and Compounds","2001","315","","198","202","10.1016/S0925-8388(00)01276-7","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7010680","9.4441","0.001","16.2936","0.0013","11.2913","0.0012","90","","106.534","0.012","90","","1665.6","0.3","153","2","153","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H46 Cl2 O10 Ru4 -","- C24 H27 Cl2 O10 Ru4 -","- C48 H54 Cl4 O20 Ru8 -","2","0.5","","Chérioux, Frédéric; Maisse-François, Aline; Neels, Antonia; Stoeckli-Evans, Helen; Süss-Fink, Georg","Nucleophilic addition reactions on the electron-deficient cluster dication [H4Ru4(C6H6)4]2+: synthesis and structural characterisation of the water-soluble cluster cations [H3Ru4(C6H6)4(CO)]+and [H3Ru4(C6H6)4(OH)]2+†","Journal of the Chemical Society, Dalton Transactions","2001","","14","2184","","10.1039/b102108g","","","0.71073","MoKα","","0.0435","0.0345","","","0.0734","0.0755","","","","","","0.952","","","","has coordinates","179810","2020-10-21","18:00:00",""
"7010725","16.331","0.003","25.873","0.004","10.726","0.002","90","","118.902","0.014","90","","3967.6","1.3","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 -","- C25 H27 Co1.5 N7.5 O21.5 P0.5 W5.5 -","- C100 H108 Co6 N30 O86 P2 W22 -","4","1","","Yan, Bangbo; Xu, Yan; Bu, Xianhui; Goh, Ngoh K.; Chia, Lian S.; Stucky, Galen D.","Hydrothermal syntheses and structures of three one-dimensional heteropolytungstates formed by Dawson or Keggin cluster units","Journal of the Chemical Society, Dalton Transactions","2001","","13","2009","","10.1039/b103024h","","","0.71073","MoKα","","0.0513","0.0404","","","0.0763","0.0798","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7019214","9.5261","0.0006","15.77","0.0009","4.3128","0.0002","90","","97.767","0.002","90","","641.95","0.06","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C8 H12 Ba N4 O7 -","- C8 H12 Ba N4 O7 -","- C16 H24 Ba2 N8 O14 -","2","0.5","","Deng, Zhao-Peng; Kang, Wei; Zhu, Zhi-Biao; Huo, Li-Hua; Zhao, Hui; Gao, Shan","Cation radii induced structural variation in fluorescent alkaline earth networks constructed from tautomers of a nucleobase analogue.","Dalton transactions (Cambridge, England : 2003)","2012","41","27","8354","8360","10.1039/c2dt12353c","","","0.71073","MoKα","","0.0213","0.0207","","","0.0486","0.0597","","","","","","1.091","","","","has coordinates","179896","2020-10-21","18:00:00",""
"7021582","8.6722","0.0015","24.417","0.004","3.9321","0.0006","90","","103.73","0.04","90","","808.8","0.3","120","2","120","2","","","","","","","","3","C 1 m 1","C -2y","8","","1,3-Bis(1-isoquinolyl)benzene","","- C24 H16 N2 -","- C24 H16 N2 -","- C48 H32 N4 -","2","0.5","","Gildea, Louise F.; Batsanov, Andrei S.; Williams, J. A. Gareth","Bright orange/red-emitting rhodium(iii) and iridium(iii) complexes: tridentate N^C^N-cyclometallating ligands lead to high luminescence efficiencies.","Dalton transactions (Cambridge, England : 2003)","2013","42","29","10388","10393","10.1039/c3dt51211h","","","0.71073","MoKα","","0.0618","0.0442","","","0.1014","0.112","","","","","","1.04","","","","has coordinates","179920","2020-10-21","18:00:00",""
"7029889","12.973","0.005","19.165","0.005","9.998","0.005","90","0.005","101.712","0.005","90","0.005","2434","1.7","293","2","293","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C16 H24 Ag3 Mo12 N8 O42 P -","- C16 H18 Ag3 Mo12 N8 O42 P -","- C32 H36 Ag6 Mo24 N16 O84 P2 -","2","0.5","","Tian, Ai-Xiang; Yang, Yang; Ying, Jun; Li, Na; Lin, Xiao-Ling; Zhang, Ju-Wen; Wang, Xiu-Li","The key role of -CH3 steric hindrance in bis(pyrazolyl) ligand on polyoxometalate-based compounds.","Dalton transactions (Cambridge, England : 2003)","2014","43","22","8405","8413","10.1039/c4dt00107a","","","0.71069","MoKα","","0.0259","0.0243","","","0.0577","0.0588","","","","","","0.96","","","","has coordinates","180004","2020-10-21","18:00:00",""
"7030761","7.43","0.003","21.644","0.007","7.671","0.003","90","","107.962","0.004","90","","1173.5","0.8","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Cs2 H2 Hg3 I8 O -","- Cs2 H2 Hg3 I8 O -","- Cs4 H4 Hg6 I16 O2 -","2","0.5","","Wu, Qi; Huang, Yin; Meng, Xianggao; Zhong, Cheng; Chen, Xingguo; Qin, Jingui","Exploration of new second-order nonlinear optical materials of the Cs-Hg-Br-I system.","Dalton transactions (Cambridge, England : 2003)","2014","43","23","8899","8904","10.1039/c3dt53463d","","","0.71073","MoKα","","0.0613","0.0466","","","0.1054","0.114","","","","","","0.953","","","","has coordinates","180013","2020-10-21","18:00:00",""
"7031600","16.482","0.005","29.135","0.005","10.874","0.005","90","","112.156","0.005","90","","4836","3","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C61 H106 Br3 Cl15 P6 Pt3 -","- C61 H106 Br3 Cl15 P6 Pt3 -","- C122 H212 Br6 Cl30 P12 Pt6 -","2","0.5","","Chakraborty, Sourav; Mondal, Snehasish; Bhowmick, Sourav; Ma, Jianqiu; Tan, Hongwei; Neogi, Subhadip; Das, Neeladri","Triptycene based organometallic complexes: a new class of acceptor synthons for supramolecular ensembles.","Dalton transactions (Cambridge, England : 2003)","2014","43","35","13270","13277","10.1039/c4dt01298d","","","0.71073","MoKα","","0.0526","0.0506","","","0.1255","0.1272","","","","","","1.013","","","","has coordinates","180022","2020-10-21","18:00:00",""
"7033828","25.618","0.005","17.04","0.003","4.4322","0.0009","90","","99.96","0.03","90","","1905.6","0.7","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C21 H12 Cu3 N3 O15 P3 -","- C21 H12 Cu3 N3 O15 P3 -","- C42 H24 Cu6 N6 O30 P6 -","2","0.5","","Hermer, N.; Stock, N.","The new triazine-based porous copper phosphonate [Cu3(PPT)(H2O)3]·10H2O.","Dalton transactions (Cambridge, England : 2003)","2015","44","8","3720","3723","10.1039/c4dt03698k","","","0.6889","","","0.0532","0.05","","","0.1436","0.1521","","","","","","1.091","","","","has coordinates","180044","2020-10-21","18:00:00",""
"7040248","7.8975","0.0003","17.3839","0.0006","12.3904","0.0005","90","","107.098","0.003","90","","1625.89","0.11","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C32 H23 Cl2 N2 Ni P S4 Sn -","- C32 H23 Cl2 N2 Ni P S4 Sn -","- C64 H46 Cl4 N4 Ni2 P2 S8 Sn2 -","2","0.5","","Wächtler, Erik; Gericke, Robert; Brendler, Erica; Gerke, Birgit; Langer, Thorsten; Pöttgen, Rainer; Zhechkov, Lyuben; Heine, Thomas; Wagler, Jörg","Group 10-group 14 metal complexes [E-TM](IV): the role of the group 14 site as an L, X and Z-type ligand.","Dalton transactions (Cambridge, England : 2003)","2016","45","36","14252","14264","10.1039/c6dt01621a","","","0.71073","MoKα","","0.029","0.0271","","","0.0694","0.0705","","","","","","1.066","","","","has coordinates,has disorder","187113","2020-10-21","18:00:00",""
"7044059","8.172","0.005","16.061","0.009","3.4741","0.0019","90","","99.294","0.008","90","","450","0.4","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 Cl O9 -","- B3 Cd5 Cl O9 -","- B6 Cd10 Cl2 O18 -","2","0.5","","Song, YunXia; Luo, Min; Liang, Fei; Lin, Chensheng; Ye, Ning; Yan, Guiyang; Lin, Zheshuai","Experimental and ab Initio Studies of Cd5(BO3)3Cl: the First Cadmium Borate Chlorine with isolated BO3 groups","Dalton Trans.","2017","","","","","10.1039/C7DT02573D","","","0.71073","MoKα","","0.0146","0.0145","","","0.0339","0.034","","","","","","1.088","","","","has coordinates","200018","2020-10-21","18:00:00",""
"7046067","11.8495","0.001","9.2438","0.0006","10.9099","0.0007","90","","118.852","0.005","90","","1046.67","0.14","100","2","100","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C12 H30 Cl F3 N3 Sc Sn -","- C12 H30 Cl F3 N3 Sc Sn -","- C24 H60 Cl2 F6 N6 Sc2 Sn2 -","2","0.5","","Curnock, Emily; Levason, William; Light, Mark E.; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Reid, Gillian; Williams, R. Nathan","Group 3 metal trihalide complexes with neutral N-donor ligands - exploring their affinity towards fluoride.","Dalton transactions (Cambridge, England : 2003)","2018","47","17","6059","6068","10.1039/c8dt00480c","","","0.71073","MoKα","","0.0275","0.0271","","","0.0639","0.0641","","","","","","1.072","","","","has coordinates,has disorder","229553","2020-10-21","18:00:00",""
"7048124","12.2382","0.0004","27.6761","0.001","7.7791","0.0003","90","","113.565","0.002","90","","2415.1","0.15","100","2","100","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C37 H44 Ag2 B0 F3 N18 O6 S -","- C33 H34 Ag2 F3 N18 O5 S -","- C66 H68 Ag4 F6 N36 O10 S2 -","2","0.5","","Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.","Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.","Dalton transactions (Cambridge, England : 2003)","2018","47","47","17109","17121","10.1039/c8dt03992e","","","1.54178","CuKα","","0.0526","0.0426","","","0.0925","0.0972","","","","","","1.017","","","","has coordinates","229687","2020-10-21","18:00:00",""
"7049962","18.3","0.02","14.35","0.019","6.661","0.009","90","","99.09","0.02","90","","1727","4","100","","100","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H19 Co3 N O14 -","- C21 H19 Co3 N O14 -","- C42 H38 Co6 N2 O28 -","2","0.5","","Ding, Tao; Zhang, Sheng; Zhang, Weiqiang; Zhang, Guofang; Gao, Zi-Wei","Highly selective C<sub>2</sub>H<sub>2</sub> and CO<sub>2</sub> capture and magnetic properties of a robust Co-chain based metal-organic framework.","Dalton transactions (Cambridge, England : 2003)","2019","48","22","7938","7945","10.1039/c9dt00510b","","","0.71073","MoKα","","0.0573","0.0502","","","0.1281","0.1343","","","","","","1.049","","","","has coordinates","223837","2020-10-21","18:00:00",""
"7051453","12.264","0.015","9.189","0.011","8.822","0.01","90","","96.02","0.01","90","","989","2","293","2","293","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C10 H19 Cl F6 N P Ru S4 -","- C10 H19 Cl F6 N P Ru S4 -","- C20 H38 Cl2 F12 N2 P2 Ru2 S8 -","2","0.5","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277928","2022-09-16","20:08:55",""
"7053002","18.14","0.001","31.2496","0.0019","6.8627","0.0004","90","","106.35","0.006","90","","3732.9","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H36 Ba O14 Zn2 -","- C30 H34 Ba O13 Zn2 -","- C120 H136 Ba4 O52 Zn8 -","4","1","","Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi","Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands","New Journal of Chemistry","2013","37","2","380","","10.1039/c2nj40752c","","","0.71073","MoKα","","0.0377","0.0342","","","0.076","0.0787","","","","","","1.043","","","","has coordinates,has disorder","180084","2020-10-21","18:00:00",""
"7053369","13.3131","0.0012","21.518","0.003","8.2174","0.001","90","","122.982","0.005","90","","1974.7","0.4","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C36 H39.4 Cu N10 O15.7 -","- C36 H29 Cu N10 O13 -","- C72 H58 Cu2 N20 O26 -","2","0.5","","Adarsh, N. N.; Tocher, Derek A.; Ribas, Joan; Dastidar, Parthasarathi","Metalla-macro-tricyclic cryptands: anion encapsulation and selective separation of sulfate via in situ crystallization","New Journal of Chemistry","2010","34","11","2458","","10.1039/b9nj00556k","","","0.71073","MoKα","","0.0574","0.0531","","","0.1273","0.1303","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054438","7.938","0.004","15.794","0.007","3.4414","0.0015","90","","99.992","0.009","90","","424.9","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Yb -","- B3 Cd4 O10 Yb -","- B6 Cd8 O20 Yb2 -","2","0.5","","Zou, Guohong; Huang, Ling; Cai, Huaqiang; Wang, Shichao; Ye, Ning","Synthesis and characterization of Cd4YbO(BO3)3‒ a congruent melting cadmium‒ytterbium oxyborate with large nonlinear optical properties","New J. Chem.","2014","38","12","6186","","10.1039/C4NJ01421A","","","0.71073","MoKα","","0.0545","0.0527","","","0.1367","0.138","","","","","","1.111","","","","has coordinates","180098","2020-10-21","18:00:00",""
"7055225","8.0536","0.0014","15.872","0.002","3.5364","0.0006","90","","100.268","0.007","90","","444.81","0.12","301","","301","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Nd O10 -","- B3 Cd4 Nd O10 -","- B6 Cd8 Nd2 O20 -","2","0.5","","Wang, Xing; Xia, Mingjun; Li, R. K.","Two potential self-activated orthoborates Cd4NdO(BO3)3and Ca3Nd3(BO3)5: growth, crystal structures and optical properties","New J. Chem.","2016","40","3","2057","","10.1039/C5NJ02710A","","","0.71073","MoKα","","0.032","0.0311","","","0.073","0.0745","","","","","","1.084","","","","has coordinates","208165","2020-10-21","18:00:00",""
"7062675","18.2738","0.0015","15.3551","0.0011","9.8021","0.0007","90","","120.739","0.002","90","","2364","0.3","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C53 H40 N2 O2 P2 Ru -","- C53 H40 N2 O2 P2 Ru -","- C106 H80 N4 O4 P4 Ru2 -","2","0.5","","Das, Akash; Mandal, Subrata; Mukherjee, Rimi; Naskar, Rahul; Murmu, Nabendu; Mondal, Tapan K.","Synthesis of Ru(ii) cyclometallated complexes via C(aryl)–S bond activation: X-ray structure, DNA/BSA protein binding and antiproliferative activity","New Journal of Chemistry","2023","47","37","17359","17372","10.1039/D3NJ02391E","","","0.71073","MoKα","","0.0391","0.0343","","","0.0643","0.0666","","","","","","1.066","","","","has coordinates","286759","2023-10-06","00:28:52",""
"7105794","16.0055","0.0011","24.312","0.0017","11.5994","0.0008","90","","128.714","0.0007","90","","3521.9","0.4","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","[Na(NCMe)2][Mn(CO)3(CNDipp2)2]","","","- C76 H88 Mn N4 Na O3 -","- C76 H88 Mn N4 Na O3 -","- C152 H176 Mn2 N8 Na2 O6 -","2","0.5","","Mason Stewart; Curtis Moore; Treffly Ditri; Liezel Labios; Arnold Rheingold; Joshua Figueroa","Electrophilic functionalization of well-behaved manganese monoanions supported by m-terphenyl isocyanides","Chem.Commun.","2011","47","","406","","10.1039/c0cc02742a","","","0.71073","MoKα","","0.0651","0.0492","","","0.1216","0.1317","","","","","","1.031","","","","has coordinates","180161","2020-10-21","18:00:00",""
"7108168","8.959","0.001","17.604","0.002","11.96","0.001","90","","110.056","0.002","90","","1771.9","0.3","150","0.1","150","0.1","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C29 H52 Cl6 P2 Pt -","- C27 H48 Cl2 P2 Pt -","- C54 H96 Cl4 P4 Pt2 -","2","0.5","","Emmanuel Nicolas; Xavier Le Goff; Stephane Bouchonnet; Nicolas Mezailles","Room Temperature Reversible CH Activation Mediated by a Pt(0) center, and Stoichiometric Biphenyl Formation via Solvent Activation","Chem.Commun.","2012","48","67","8350","8352","10.1039/c2cc33847e","","","0.71069","MoKα","","0.0384","0.0384","","","0.102","0.102","","","","","","1.066","","","","has coordinates","180185","2020-10-21","18:00:00",""
"7111164","13.453","0.003","15.28","0.003","12.736","0.003","90","","116","0.03","90","","2353.1","1.1","220","2","220","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C27 H63 N6 O P Si Sn8 -","- C27 H66 N6 O P Si Sn8 -","- C54 H132 N12 O2 P2 Si2 Sn16 -","2","0.5","","Mosquera, Marta E. G.; Hopkins, Alexander D.; Raithby, Paul R.; Rothenberger, Alexander; Woods, Anthony D.; Wright, Dominic S.; Steiner, Alexander","Synthesis and structure of [{Sn4(NBut)3P}{Sn4(NBut)3(OSiMe3)}]; a low-oxidation state p-block metal complex containing a P3− anion","Chemical Communications","2001","","4","327","","10.1039/b008108f","","","0.71073","MoKα","","0.0593","0.0425","","0.1928","0.0875","","","","1.056","1.082","1.082","","","","","has coordinates","180225","2020-10-21","18:00:00",""
"7111674","27.6097","0.0022","15.0085","0.0012","14.2322","0.0011","90","","107.657","0.0011","90","","5619.7","0.8","100","2","100","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C106 H83 F12 N19 O13 Pd2 S4 -","- C106 H83 F12 N19 O13 Pd2 S4 -","- C212 H166 F24 N38 O26 Pd4 S8 -","2","0.5","","Liao, Puhong; Langloss, Brian W.; Johnson, Amber M.; Knudsen, Eric R.; Tham, Fook S.; Julian, Ryan R.; Hooley, Richard J.","Two-component control of guest binding in a self-assembled cage molecule","Chemical Communications","2010","46","27","4932","4934","10.1039/c0cc00234h","","","0.71073","MoKα","","0.0372","0.0326","","","0.0877","0.0913","","","","","","1.032","","","","has coordinates,has disorder","180230","2020-10-21","18:00:00",""
"7114349","12.6","0.0004","16.723","0.0007","10.635","0.0004","90","","120.276","0.002","90","","1935.26","0.13","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","Calix[4]pyrrole trifluoroacetate","","","- C38 H58 F3 N5 O3 -","- C38 H58 F3 N5 O3 -","- C76 H116 F6 N10 O6 -","2","0.5","","Turner, Boaz; Shterenberg, Alexander; Kapon, Moshe; Suwinska, Kinga; Eichen, Yoav","The role of template in the synthesis of meso-hexamethyl- meso-hexaphenyl-calix[6]pyrrole: trihalogenated compounds as templates for the assembly of a host with a trigonal cavityElectronic supplementary data (ESI) available: Figs. 1 and 2 showing atom numbering. See http://www.rsc.org/suppdata/cc/b1/b106162n/","Chemical Communications","2002","","5","404","","10.1039/b106162n","","","0.71073","MoKα","","0.0564","0.0441","","","0.1013","0.1064","","","","","","1.071","","","","has coordinates,has disorder","180257","2020-10-21","18:00:00",""
"7116528","20.5847","0.0011","13.4613","0.0007","22.9069","0.0013","90","","101.973","0.001","90","","6209.3","0.6","296","2","296","2","","","","","","","","9","C 1 m 1","C -2y","8","","","","- C16 H111 Cu4 Dy2 K2 N16 O101.5 Si2 W22 -","- C16 H64 Cu4 Dy2 K2 N16 O99.5 Si2 W22 -","- C32 H128 Cu8 Dy4 K4 N32 O199 Si4 W44 -","2","0.5","","Fei-Yan Yi; Wei Zhu; Song Dang; Jian-Ping Li; Dai Wu; Yun-hui Li; Zhong-Ming Sun","Polyoxometalates-based heterometallic organic-inorganic hybrid materials for rapid adsorption and selective separation of methylene blue from aqueous solutions","Chem.Commun.","2015","51","","3336","","10.1039/C4cc09569C","","","0.71073","MoKα","","0.0497","0.0407","","","0.097","0.1028","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7117772","8.2934","0.001","13.814","0.002","7.8377","0.0011","90","","92.388","0.015","90","","897.1","0.2","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H21 Br Co N O4 -","- C16 H21 Br Co N O4 -","- C32 H42 Br2 Co2 N2 O8 -","2","0.5","","Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur","Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers","Chem.Commun.","2015","51","","14334","","10.1039/C5cc04714E","","","0.71073","MoKα","","0.0346","0.0334","","","0.0906","0.0914","","","","","","1.077","","","","has coordinates","156295","2020-10-21","18:00:00",""
"7117773","8.1891","0.0002","13.7998","0.0003","7.73787","0.00019","90","","91.89","0.002","90","","873.97","0.04","150","2","150","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C16 H21 Cl Co N O4 -","- C16 H21 Cl Co N O4 -","- C32 H42 Cl2 Co2 N2 O8 -","2","0.5","","Jeremy Demarteau; Anthony Kermagoret; Ian German; Daniela Cordella; Koen Robeyns; Julien De Winter; Pascal Gerbaux; Christine Jerome; Antoine Debuigne; Christophe Detrembleur","Halomethyl-cobalt(bis-acetylacetonate) for the controlled synthesis of functional polymers","Chem.Commun.","2015","51","","14334","","10.1039/C5cc04714E","","","0.71073","MoKα","","0.0332","0.0319","","","0.0799","0.0807","","","","","","1.053","","","","has coordinates","156295","2020-10-21","18:00:00",""
"7121125","9","2","9.297","","5.601","","90","","122.89","","90","","394","9","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C K3 O8 V -","- C K3 O8 V -","- C2 K6 O16 V2 -","2","0.5","","Song, Yunxia; Luo, Min; Liang, Fei; Ye, Ning; Lin, Zheshuai","The second-harmonic generation intensification derived from localization conjugated π-orbitals in O<sub>2</sub><sup>2</sup>.","Chemical communications (Cambridge, England)","2018","54","12","1445","1448","10.1039/c7cc08863a","","","0.71073","MoKα","","0.0225","0.0223","","","0.0604","0.0605","","","","","","1.146","","","","has coordinates","228598","2020-10-21","18:00:00",""
"7121334","9.531","0.002","8.5593","0.0018","4.1352","0.0009","90","","90.295","0.003","90","","337.34","0.12","273","2","273","2","","","","","","","","4","C 1 m 1","C -2y","8","4-bromobenzonitrile","4-bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Hand-twistable plastically deformable crystals of a rigid small organic molecule.","Chemical communications (Cambridge, England)","2018","54","24","2994","2997","10.1039/c8cc00775f","","","0.71073","MoKα","","0.0613","0.0596","","","0.1518","0.1534","","","","","","1.087","","","","has coordinates","227995","2020-10-21","18:00:00",""
"7121335","9.509","0.005","8.535","0.004","4.127","0.002","90","","90.311","0.005","90","","334.9","0.3","273","2","273","2","","","","","","","","4","C 1 m 1","C -2y","8","4-bromobenzonitirle","4-bromobenzonitirle","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Alimi, Lukman O.; Lama, Prem; Smith, Vincent J.; Barbour, Leonard J.","Hand-twistable plastically deformable crystals of a rigid small organic molecule.","Chemical communications (Cambridge, England)","2018","54","24","2994","2997","10.1039/c8cc00775f","","","0.71073","MoKα","","0.0408","0.0404","","","0.101","0.1019","","","","","","1.029","","","","has coordinates","227995","2020-10-21","18:00:00",""
"7126891","22.62","0.004","21.11","0.004","12.65","0.002","90","","115.833","0.005","90","","5436.8","1.7","100","","100","","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C97 H150 Co4 F8 N14 O6 P4 S2 -","- C97 H153 Co4 F8 N14 O6 P4 S2 -","- C194 H306 Co8 F16 N28 O12 P8 S4 -","2","0.5","","Spentzos, Ariana Z.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C.","Unusual cyanide and methyl binding modes at a dicobalt macrocycle following acetonitrile C-C bond activation.","Chemical communications (Cambridge, England)","2020","56","67","9675","9678","10.1039/d0cc03521a","","","0.71073","MoKα","","0.0387","0.0354","","","0.0892","0.0912","","","","","","1.023","","","","has coordinates,has disorder","256028","2020-10-21","18:00:00",""
"7127638","12.8805","0.0005","11.6857","0.0004","9.66","0.0004","90","","115.998","0.001","90","","1306.87","0.09","296","2","273.15","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Ag3 Ga8 K Se14 -","- Ag3 Ga8 K Se14 -","- Ag6 Ga16 K2 Se28 -","2","0.5","","Li, Jia-Nuo; Yao, Wen-Dong; Li, Xiao-Hui; Liu, Wenlong; Xue, Huai-Guo; Guo, Sheng-Ping","A novel promising infrared nonlinear optical selenide KAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> designed from benchmark AgGaQ<sub>2</sub> (Q = S, Se).","Chemical communications (Cambridge, England)","2021","57","9","1109","1112","10.1039/d0cc07396b","","","0.71073","MoKα","","0.0282","0.025","","","0.0512","0.0526","","","","","","0.919","","","","has coordinates","261565","2021-02-04","22:45:09",""
"7157816","9.4437","0.0001","8.5227","0.0001","4.0482","0.0001","90","","91.2214","0.0001","90","","325.749","0.01","90","","90","","","","","","","","","4","C 1 m 1","C -2y","8","","4-Bromobenzonitrile","","- C7 H4 Br N -","- C7 H4 Br N -","- C14 H8 Br2 N2 -","2","0.5","","Ichikawa, Yuki; Hiramatsu, Michiaki; Mita, Yusuke; Makishima, Makoto; Matsumoto, Yotaro; Masumoto, Yui; Muranaka, Atsuya; Uchiyama, Masanobu; Hashimoto, Yuichi; Ishikawa, Minoru","<i>meta</i>-Non-flat substituents: a novel molecular design to improve aqueous solubility in small molecule drug discovery.","Organic & biomolecular chemistry","2021","19","2","446","456","10.1039/d0ob02083d","","","0.71073","MoKα","","0.0209","0.0209","","","0.052","0.052","","","","","","1.083","","","","has coordinates","261764","2021-02-04","23:31:19",""
"7159755","6.3968","0.0005","15.9612","0.0014","4.3338","0.0004","90","","100.453","0.003","90","","435.14","0.07","100","2","100","2","","","","","","","","3","C 1 m 1","C -2y","8","","","","- C5 H5 O2 -","- C5 H5 O2 -","- C20 H20 O8 -","4","1","","Darole, Ratanamala S.; Choudhary, Shailendra Singh; Sharma, Himanshu; Mali, Bhupendra P.; Gopu, Booblan; Vanka, Kumar; Senthilkumar, Beeran","Brønsted acid- and Ni(II)-catalyzed C-H oxidation/rearrangement of cyclotriveratrylenes (CTVs) to cyclic and acyclic quinones as potential anti-cancer agents.","Organic & biomolecular chemistry","2024","22","5","1038","1046","10.1039/d3ob01428b","","","0.71073","MoKα","","0.035","0.0306","","","0.082","0.0858","","","","","","1.101","","","","has coordinates","289613","2024-02-04","12:27:19",""
"7204401","12.502","0.003","10.516","0.002","9.852","0.002","90","","109.46","0.05","90","","1221.3","0.6","123","2","123","2","","","","","","","","6","C 1 m 1","C -2y","8","","Mesitylene/nitrozonium hexachloroantimonate molecular complex 2:1","","- C18 H24 Cl6 N O Sb -","- C18 H24 Cl6 N O Sb -","- C36 H48 Cl12 N2 O2 Sb2 -","2","0.5","","Rosokha, S. V.; Lindeman, S. V.; Kochi, J. K.","Novel bis-arene (sandwich) complexes with NO+ acceptor. Isolation, X-ray crystallography and electronic structure","Journal of the Chemical Society, Perkin Transactions 2","2002","","8","1468","","10.1039/b202323g","","","0.71073","MoKα","","0.0402","0.031","","0.0658","0.0629","","","","0.94","0.98","0.98","","","","","has coordinates,has disorder","180375","2020-10-21","18:00:00",""
"7205234","13.5405","0.0003","21.5306","0.0005","13.5016","0.0003","90","","105.778","0.0013","90","","3787.89","0.15","110","2","110","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C30 H26 Co2 N2 O12 -","- C30 H26 Co2 N2 O12 -","- C120 H104 Co8 N8 O48 -","4","1","","Karmakar, Anirban; Goldberg, Israel","Coordination polymers of flexible tetracarboxylic acids with metal ions. II. Supramolecular assemblies of 5,5′-methylene- and 5,5′-(ethane-1,2-diyl)-bis(oxy)diisophthalic acid ligands with d-transition metals","CrystEngComm","2011","13","1","350","","10.1039/c0ce00268b","","","0.71073","MoKα","","0.0602","0.0468","","","0.1139","0.1181","","","","","","1.044","","","","has coordinates,has disorder","180383","2020-10-21","18:00:00",""
"7208618","7.992","0.009","15.777","0.016","3.494","0.004","90","","100.22","0.02","90","","433.6","0.8","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Gd O10 -","- B3 Cd4 Gd O10 -","- B6 Cd8 Gd2 O20 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0392","0.0383","","","0.0928","0.0932","","","","","","1.098","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208619","7.937","0.005","15.778","0.01","3.436","0.002","90","","99.972","0.01","90","","423.8","0.5","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Lu O10 -","- B3 Cd4 Lu O10 -","- B6 Cd8 Lu2 O20 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0529","0.0509","","","0.1298","0.1311","","","","","","1.032","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7208620","7.9627","0.001","15.793","0.002","3.4706","0.0004","90","","100.088","0.007","90","","429.7","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Y -","- B3 Cd4 O10 Y -","- B6 Cd8 O20 Y2 -","2","0.5","","Zou, Guohong; Ma, Zuju; Wu, Kechen; Ye, Ning","Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses","Journal of Materials Chemistry","2012","22","37","19911","","10.1039/c2jm33029f","","","0.71073","MoKα","","0.0439","0.0434","","","0.1027","0.103","","","","","","1.015","","","","has coordinates","180417","2020-10-21","18:00:00",""
"7209446","8.078","","15.981","","3.5519","","90","","101.26","","90","","449.705","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Ca4 Gd O (B O3)3","","- B3 Ca4 Gd O10 -","- B3 Ca4 Gd O10 -","- B6 Ca8 Gd2 O20 -","2","0.5","","Kahn-Harari, A.; Aka, G.; Mougel, F.; Pelenc, D.","Structural and thermal stability of Czochralski grown Gd C O B oxoborate single crystals","Journal of Materials Chemistry","1998","8","","1619","1623","10.1039/a800492g","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209474","9.725","","12.72","","4.874","","90","","119.8","","90","","523.196","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Zn3 (B O3) (P O4)","","- B O7 P Zn3 -","- B O7 P Zn3 -","- B4 O28 P4 Zn12 -","4","1","","Park, C.-H.; Bluhm, K.","Die Synthese und Kristallstruktur des Borat-Phosphats: alpha - Zn3 (B O3) (P O4)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1997","52","","102","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209604","8.057","0.003","15.966","0.006","3.447","0.0016","90","","100.06","0.03","90","","436.6","0.3","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd5 F O9 -","- B3 Cd5 F O9 -","- B6 Cd10 F2 O18 -","2","0.5","","Zou, Guohong; Zhang, Liyuan; Ye, Ning","Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F","CrystEngComm","2013","15","13","2422","","10.1039/c3ce26506d","","","0.71073","MoKα","","0.0359","0.0346","","","0.0736","0.0742","","","","","","1.172","","","","has coordinates","180427","2020-10-21","18:00:00",""
"7209847","8.1772","0.0012","16.157","0.002","3.6286","0.0005","90","","101.399","0.001","90","","469.95","0.11","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Pr -","- B3 Ca4 O10 Pr -","- B6 Ca8 O20 Pr2 -","2","0.5","","Yu, Fapeng; Zhang, Shujun; Cheng, Xiufeng; Duan, Xiulan; Ma, Tingfeng; Zhao, Xian","Crystal growth, structure and thermal properties of noncentrosymmetric single crystals PrCa4O(BO3)3","CrystEngComm","2013","15","26","5226","","10.1039/c3ce00024a","","","0.71073","MoKα","","0.0153","0.0152","","","0.0305","0.0305","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7210632","9.2113","0.0002","26.5836","0.0005","6.8556","0.0001","90","","96.74","0.002","90","","1667.13","0.05","295","2","295","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H39 La O21 P4 -","- C22 H38 La O21 P4 -","- C44 H76 La2 O42 P8 -","2","0.5","","Białek, Michał J.; Janczak, Jan; Zoń, Jerzy","Naphthalene-based linkers for metal phosphonates: synthesis, structure, and interesting conformational flexibility influence on final lanthanum hybrids","CrystEngComm","2013","15","2","390","","10.1039/c2ce26268a","","","0.71073","MoKα","","0.0181","0.0173","","","0.0413","0.0417","","","","","","1.028","","","","has coordinates","180437","2020-10-21","18:00:00",""
"7214380","8.0715","0.0007","16","0.0015","3.5454","0.0003","90","","101.255","0.001","90","","449.06","0.07","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4.01 O10 Tb0.99 -","- B3 Ca3.954 O10 Tb1.046 -","- B6 Ca7.908 O20 Tb2.092 -","2","0.5","","Yuan, Dongsheng; Jia, Zhitai; Wang, Jian; Gao, Zeliang; Zhang, Junjie; Fu, Xiuwei; Shu, Jun; Yin, Yanru; Hu, Qiangqiang; Tao, Xutang","Bulk growth, structure, and characterization of the new monoclinic TbCa4O(BO3)3 crystal","CrystEngComm","2014","16","19","4008","","10.1039/c4ce00051j","","","0.71073","MoKα","","0.0327","0.0305","","","0.0838","0.0792","","","","","","1.468","","","","has coordinates","180474","2020-10-21","18:00:00",""
"7214789","11.1998","0.001","17.0668","0.001","8.4726","0.0006","90","","102.461","0.008","90","","1581.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","(1,3-diphenyl-1,3-propanedionato)aquabis(morpholine)copper(II) chloride - morpholinium chloride","","- C27 H41 Cl2 Cu N3 O6 -","- C27 H41 Cl2 Cu N3 O6 -","- C54 H82 Cl4 Cu2 N6 O12 -","2","0.5","","Stilinović, Vladimir; Užarević, Krunoslav; Cvrtila, Ivica; Kaitner, Branko","Bis(morpholine) hydrogen bond pincer ‒ a novel series of heteroleptic Cu(ii) coordination compounds as receptors for electron rich guests","CrystEngComm","2012","14","21","7493","","10.1039/c2ce25848j","","","0.71073","MoKα","","0.0616","0.0511","","","0.13","0.133","","","","","","1.006","","","","has coordinates","180478","2020-10-21","18:00:00",""
"7216216","8.0679","0.0009","16.014","0.0017","3.5224","0.0004","90","","101.112","0.001","90","","446.56","0.09","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 O10 Tm -","- B3 Ca4.021 O10 Tm1.005 -","- B6 Ca8.042 O20 Tm2.01 -","2","0.5","","Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Hou, Shuai; Yang, Lei; Xu, Xinguang; Zhao, Xian","Bulk growth and nonlinear optical properties of thulium calcium oxyborate single crystals","CrystEngComm","2014","16","30","7141","","10.1039/C4CE00869C","","","0.71069","MoKα","","0.0152","0.0152","","","0.0359","0.0359","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7216660","10.0009","0.0013","28.964","0.004","4.1036","0.0006","90","","100.997","0.002","90","","1166.8","0.3","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C22 H14 F4 I2 N6 -","- C22 H14 F4 I2 N6 -","- C44 H28 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Wijethunga, Tharanga K.; Haj, Mohammad Abul; Desper, John; Moore, Curtis","The structural landscape of heteroaryl-2-imidazoles: competing halogen- and hydrogen-bond interactions","CrystEngComm","2014","16","31","7218","","10.1039/C4CE00803K","","","0.71073","MoKα","","0.0221","0.0203","","","0.0462","0.047","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7219085","12.9363","0.0006","15.858","0.0008","9.0474","0.0007","90","","120.978","0.01","90","","1591.3","0.2","295","2","295","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C23 H34 Mg2 N3 O14 S2 -","- C23 H34 Mg2 N3 O14 S2 -","- C46 H68 Mg4 N6 O28 S4 -","2","0.5","","Song, Ying; Feng, Mei-Ling; Wu, Zhao-Feng; Huang, Xiao-Ying","Solvent-assisted construction of diverse Mg-TDC coordination polymers","CrystEngComm","2015","17","6","1348","","10.1039/C4CE02288B","","","0.71073","MoKα","","0.0507","0.0443","","","0.1087","0.1158","","","","","","1.038","","","","has coordinates,has disorder","180521","2020-10-21","18:00:00",""
"7221233","11.577","","16.448","","5.716","","90","","117.3","","90","","967.2","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","(N H4)2 (S ((S2) Mo (S2))3) (H2 O)","","- H10 Mo3 N2 O S13 -","- Mo3 N2 O S13 -","- Mo6 N4 O2 S26 -","2","0.5","","Mueller, A.; Pohl, S.; Kirchner, R.M.; Cohen, J.P.; Dartmann, M.; Bennett, M.J.","Crystal structure of (N H4)2 M O S (S2)6 containing the novel isolated cluster (Mo3 S13)2-","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","434","436","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7224505","9.7472","0.0009","22.777","0.002","7.0903","0.0007","90","","131.453","0.006","90","","1179.8","0.2","100","2","100","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C24 H32 Co N2 O8 -","- C24 H32 Co N2 O8 -","- C48 H64 Co2 N4 O16 -","2","0.5","","Liao, Liang; Ingram, Conrad W.; Bacsa, John; Zhang, Z. John; Dinadayalane, Tandabany","A hydrogen bonded Co(ii) coordination complex and a triply interpenetrating 3-D manganese(ii) coordination polymer from diaza crown ether with dibenzoate sidearms","CrystEngComm","2016","18","14","2425","","10.1039/C6CE00360E","","","0.71073","MoKα","","0.0476","0.0425","","","0.0894","0.0918","","","","","","1.031","","","","has coordinates","181617","2020-10-21","18:00:00",""
"7225837","8.0806","0.0007","16.0141","0.0013","3.5431","0.0003","90","","101.206","0.001","90","","449.75","0.07","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.096Y0.904Ca4O(BO3)3","La0.096Y0.904COB","","- B6 Ca8 La0.18 O20 Y1.81 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","- B6 Ca7.998 La0.176 O20 Y1.812 -","1","0.25","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0174","0.0172","","","0.041","0.0411","","","","","","0.767","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7225838","8.1214","0.001","16.1024","0.0019","3.5623","0.0004","90","","101.211","0.001","90","","456.97","0.09","296","2","296","2","","","","","","","","5","C 1 m 1","C -2y","8","La0.140Y0.860Ca4O(BO3)3","La0.140Y0.860COB","","- B3 Ca4.03 La0.11 O10 Y0.86 -","- B3 Ca4.029 La0.11 O10 Y0.861 -","- B6 Ca8.058 La0.22 O20 Y1.722 -","2","0.5","","Qi, Hongwei; Wang, Fang; Chai, Xiangxu; Wang, Zhengping; Yu, Fapeng; Liu, Yanqing; Zhao, Xian; Xu, Xinguang","Growth and non-critical phase-matching frequency conversion properties of LaxY1−xCOB crystals","CrystEngComm","2016","18","33","6205","","10.1039/C6CE00952B","","","0.71073","MoKα","","0.0162","0.0158","","","0.0378","0.038","","","","","","0.757","","","","has coordinates","186364","2020-10-21","18:00:00",""
"7226403","17.874","0.006","27.273","0.008","11.528","0.005","90","","105.453","0.008","90","","5416","3","173","2","173","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H28 Cd Cl4 N2 -","- C12 H28 Cd Cl4 N2 -","- C144 H336 Cd12 Cl48 N24 -","12","3","","Qian, Kun; Shao, Feng; Yan, Zhihong; Pang, Jie; Chen, Xiaodong; Yang, Changxin","A perovskite-type cage compound as a temperature-triggered dielectric switchable material","CrystEngComm","2016","18","40","7671","","10.1039/C6CE01421F","","","0.71073","MoKα","","0.0589","0.0452","","","0.1047","0.1118","","","","","","1.087","","","","has coordinates","188090","2020-10-21","18:00:00",""
"7228504","6.287","0.001","26.876","0.005","5.936","0.001","90","","112.26","0.01","90","","928.3","0.3","","","189","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- H15 O10.5 S -","- H15 O10.5 S -","- H60 O42 S4 -","4","1","","Mootz, Dietrich; Merschenz-Quack, Angelika","On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O","Zeitschrift fur Naturforschung B","1987","42","","1231","1236","10.1515/znb-1987-1004","","x-ray","0.71069","MoKα","","0.019","0.018","","","0.025","0.025","","","","","","","","","","has coordinates","197885","2020-10-21","18:00:00",""
"7230189","10.245","0.0013","25.069","0.002","8.5267","0.0009","90","","104.29","0.011","90","","2122.2","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","1,3-Bis[(E)-2-(methoxycarbonyl)-3-[6-(prop-2-ynyloxy)-naphthalen-2-yl]allyl]-1H-imidazol-3-ium chloride x 2CHCl3","","- C41 H35 Cl7 N2 O6 -","- C41 H35 Cl7 N2 O6 -","- C82 H70 Cl14 N4 O12 -","2","0.5","","Razzano, Vincenzo; Paolino, Marco; Reale, Annalisa; Giuliani, Germano; Donati, Alessandro; Giorgi, Gianluca; Artusi, Roberto; Caselli, Gianfranco; Visintin, Michela; Makovec, Francesco; Battiato, Salvatore; Samperi, Filippo; Villafiorita-Monteleone, Francesca; Botta, Chiara; Cappelli, Andrea","Poly-histidine grafting leading to fishbone-like architectures","RSC Advances","2018","8","16","8638","","10.1039/C8RA00315G","","","0.71073","MoKα","","0.13","0.0748","","","0.1747","0.2125","","","","","","0.992","","","","has coordinates,has disorder","206674","2020-10-21","18:00:00",""
"7231447","9.6565","0.0005","17.991","0.0009","5.8635","0.0003","90","","113.819","0.002","90","","931.9","0.08","223","2","223","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C19 H19 N4 O Si -","- C19 H19 N4 O Si -","- C38 H38 N8 O2 Si2 -","2","0.5","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","0.71073","MoKα","","0.0837","0.0659","","","0.1423","0.1557","","","","","","1.063","","","","has coordinates,has disorder","230942","2020-10-21","18:00:00",""
"7231449","11.27","0.0008","16.9544","0.0011","3.7589","0.0002","90","","96.64","0.002","90","","713.42","0.08","104","2","104","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C18 H11 N4 O -","- C18 H11 N4 O -","- C36 H22 N8 O2 -","2","0.5","","Eusterwiemann, Steffen; Doerenkamp, Carsten; Dresselhaus, Thomas; Janka, Oliver; Daniliuc, Constantin G.; Pöttgen, Rainer; Studer, Armido; Eckert, Hellmut; Neugebauer, Johannes","Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.","Physical chemistry chemical physics : PCCP","2018","20","35","22902","22908","10.1039/c8cp03332c","","","0.71073","MoKα","","0.0315","0.0267","","","0.0572","0.0592","","","","","","1.116","","","","has coordinates","230942","2020-10-21","18:00:00",""
"7231684","21.078","0.004","21.543","0.004","7.9092","0.0016","90","","107.59","0.03","90","","3423.5","1.3","293","2","293","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C17 H30 Ag5 I6 N5 O -","- C17 H30 Ag5 I6 N5 O -","- C68 H120 Ag20 I24 N20 O4 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Yu, Jie-Hui; Xu, Ji-Qing","New photoluminescent iodoargentates with bisimidazole derivatives as countercations","RSC Advances","2018","8","63","36150","","10.1039/C8RA05760E","","","0.71073","MoKα","","0.0315","0.0298","","","0.0636","0.0644","","","","","","1.044","","","","has coordinates,has disorder","211603","2020-10-21","18:00:00",""
"7231691","16.8767","0.0002","33.8581","0.0005","4.4165","0.0001","90","","91.65","0.001","90","","2522.6","0.07","100","0.1","100","0.1","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C12 H13 I2 N3 S2 -","- C12 H13 I2 N3 S2 -","- C72 H78 I12 N18 S12 -","6","1.5","","Getmanenko, Yulia A.; Mullins, Christopher S.; Nesterov, Vladimir N.; Lake, Stephanie; Risko, Chad; Johnston-Halperin, Ezekiel","Magnetic ordering in a vanadium-organic coordination polymer using a pyrrolo[2,3-d:5,4-d′]bis(thiazole)-based ligand","RSC Advances","2018","8","63","36223","","10.1039/C8RA05697H","","x-ray","0.71073","MoKα","","0.0187","0.0187","","","0.0478","0.0479","","","","","","1.055","","","","has coordinates,has disorder","211659","2020-10-21","18:00:00",""
"7240511","18.8403","0.0015","4.2335","0.0003","15.3364","0.0012","90","","95.068","0.003","90","","1218.46","0.16","273","2","273","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O5 Pb1.5 Sb5 Se8 Sr4 -","- O10 Pb3 Sb10 Se16 Sr8 -","2","0.5","","Wang, Yang; Luo, Mengjia; Zhao, Pei; Che, Xiangli; Cao, Yunzhen; Huang, Fuqiang","Sr4Pb1.5Sb5O5Se8: a new mid-infrared nonlinear optical material with a moderate SHG response","CrystEngComm","2020","","","","","10.1039/D0CE00084A","","","0.71073","MoKα","","0.0572","0.0375","","","0.0868","0.0978","","","","","","1.046","","","","has coordinates","252036","2020-10-21","18:00:00",""
"7242571","12.5419","0.0005","22.4521","0.0009","11.6246","0.0005","90","","109.951","0.001","90","","3076.9","0.2","296","2","296","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C32 H46 Cu2 Ge N12 O48 W12 -","- C32 H26.94 Cu2 Ge N12 O43.4 W12 -","- C64 H53.88 Cu4 Ge2 N24 O86.8 W24 -","2","0.5","","Shen, Qingbo; Gómez-García, Carlos J.; Sun, Wenlong; Lai, Xiaoyong; Pang, Haijun; Ma, Huiyuan","Improving the photocatalytic H2 evolution activity of Keggin polyoxometalates anchoring copper-azole complexes","Green Chemistry","2021","23","8","3104","3114","10.1039/D1GC00692D","","","0.71073","MoKα","","0.0774","0.0579","","","0.1378","0.1487","","","","","","1.046","","","","has coordinates","264908","2021-05-05","08:48:19",""
"7243483","8.09","0.003","16.018","0.007","3.5317","0.0014","90","","101.284","0.004","90","","448.8","0.3","296","2","296","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Ca4 Ho O10 -","- B3 Ca4.0004 Ho0.9996 O10 -","- B6 Ca8.0008 Ho1.9992 O20 -","2","0.5","","Yu, Pingzhang; Pan, Xiaobo; Wu, Guangda; Liu, Yanqing; Yu, Fapeng; Wang, Zhengping; Xu, Xinguang","Crystal growth, optical, thermal and piezoelectric properties of HoCa4O(BO3)3 crystal","CrystEngComm","2021","23","37","6574","6581","10.1039/D1CE00816A","","x-ray","0.71073","MoKα","","0.0292","0.0291","","","0.0777","0.0777","","","","","","1.063","","","","has coordinates,has disorder","269672","2021-10-06","14:49:41",""
"7244568","7.9798","0.0008","15.7654","0.0016","3.5051","0.0004","90","","100.208","0.01","90","","433.98","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Sm -","- B3 Cd4 O10 Sm -","- B6 Cd8 O20 Sm2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0301","0.0296","","","0.0731","0.0735","","","","","","1.025","","","","has coordinates","273441","2022-03-04","23:31:19",""
"7244569","7.9549","0.0007","15.7709","0.0014","3.4813","0.0003","90","","100.227","0.009","90","","429.81","0.07","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 O10 Tb -","- B3 Cd4 O10 Tb -","- B6 Cd8 O20 Tb2 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.025","0.0244","","","0.0601","0.0608","","","","","","1.091","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7244570","7.9673","0.0009","15.7619","0.0017","3.4932","0.0004","90","","100.186","0.011","90","","431.76","0.08","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- B3 Cd4 Eu O10 -","- B3 Cd4 Eu O10 -","- B6 Cd8 Eu2 O20 -","2","0.5","","Cao, Ming-Yang; Hu, Chun-Li; Chen, Peng-Fei; Wang, Qian; Li, Bing-Xuan; Lin, Yuan; Mao, Jiang-Gao","Cd4REO(BO3)3 (RE = Sm, Eu, Tb): three new cadmium–rare earth oxyborates with both good NLO and luminescence properties","CrystEngComm","2022","","","","","10.1039/D2CE00080F","","","0.71073","MoKα","","0.0297","0.0293","","","0.0756","0.0758","","","","","","1.064","","","","has coordinates","273441","2022-03-04","23:31:20",""
"7245605","8.69237","0.00014","6.06857","0.00009","5.58397","0.0001","90","","120.797","0.001","90","","253.02","0.008","293","","293","","","","","","","","","3","C 1 m 1","C -2y","8","","oxaloacetic acid","","- C4 H4 O5 -","- C4 H4 O5 -","- C8 H8 O10 -","2","0.5","","Pokorny, Vaclav; Touš, Petr; Stejfa, Vojtech; R°užička, Květoslav; Rohlíček, Jan; Czernek, Jiri; Brus, Jiri; Cervinka, Ctirad","Anisotropy, Segmental Dynamics and Polymorphism of Crystalline Biogenic Carboxylic Acids","Physical Chemistry Chemical Physics","2022","","","","","10.1039/D2CP03698C","powder diffraction","x-ray","1.54187","CuKα","","0.0651","0.065","","0.0979","0.0979","","","","11.2694","","","","","","","has coordinates","278350","2022-10-05","00:55:32",""
"7247460","12.318","0.003","12.9645","0.0013","9.0482","0.0012","90","","107.377","0.015","90","","1379","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H23 Mn2 N9 O11 -","- C21 H23 Mn2 N9 O11 -","- C42 H46 Mn4 N18 O22 -","2","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0672","0.0618","","","0.1626","0.1673","","","","","","1.084","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7700286","5.5761","0.001","18.331","0.003","5.357","0.001","90","","90.404","0.002","90","","547.55","0.17","296","2","296","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- Cd Cl2 Cs2 O6 V2 -","- Cd Cl2 Cs2 O6 V2 -","- Cd2 Cl4 Cs4 O12 V4 -","2","0.5","","Li, Yanjun; Zhang, Dan; Liu, Lili; Zhang, Weiguo; Zhang, Jiang; Cong, Ye; Li, Xuanke; Halasyamani, P. Shiv","Cs<sub>2</sub>CdV<sub>2</sub>O<sub>6</sub>Cl<sub>2</sub> and Cs<sub>3</sub>CdV<sub>4</sub>O<sub>12</sub>Br: two new non-centrosymmetric oxyhalides containing d<sup>0</sup> and d<sup>10</sup> cations and exhibiting second harmonic generation activity.","Dalton transactions (Cambridge, England : 2003)","2019","48","28","10642","10651","10.1039/c9dt02099c","","","0.71073","MoKα","","0.0171","0.017","","","0.0419","0.042","","","","","","1.166","","","","has coordinates","223768","2020-10-21","18:00:00",""
"7705796","11.2025","0.0002","10.8541","0.0002","8.8565","0.0002","90","","115.758","0.001","90","","969.89","0.03","296","2","296","2","","","","","","","","7","C 1 m 1","C -2y","8","","","","- C6 H16 F7 N9 O5 Ti Zn3 -","- C6 H16 F7 N9 O5 Ti Zn3 -","- C12 H32 F14 N18 O10 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","","","0.71073","MoKα","","0.0297","0.0295","","","0.0843","0.0849","","","","","","1.122","","","","has coordinates","260763","2021-01-07","06:23:22",""
"7705797","11.2482","0.0007","10.725","0.0007","8.801","0.0005","90","","114.673","0.003","90","","964.8","0.11","355","","355","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C6 F7 N9 O2 Ti Zn3 -","- C6 F7 N9 O2 Ti Zn3 -","- C12 F14 N18 O4 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","10.7546","4.3267","","","","","","","has coordinates","260763","2021-01-07","06:23:24",""
"7705798","11.199","0.0003","10.6391","0.0003","7.3676","0.0002","90","","102.466","0.001","90","","857.13","0.04","296","","296","","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C6 H6 F7 N9 Ti Zn3 -","- C6 H6 F7 N9 Ti Zn3 -","- C12 H12 F14 N18 Ti2 Zn6 -","2","0.5","","Albino, M.; Lhoste, J.; Body, M.; Legein, C.; Hémon-Ribaud, A; Maisonneuve, V.; Leblanc, M.","Topotactic desolvation and condensation reactions of 3D Zn<sub>3</sub>TiF<sub>7</sub>(H<sub>2</sub>O)<sub>2</sub>(taz)<sub>3</sub>·S (S = 3H<sub>2</sub>O or C<sub>2</sub>H<sub>5</sub>OH).","Dalton transactions (Cambridge, England : 2003)","2020","49","48","17758","17771","10.1039/d0dt03391j","powder diffraction","","1.54175","CuKα","","","","","","","","","2.5793","1.9078","","","","","","","has coordinates","260763","2021-01-07","06:23:25",""
"7706537","17.9129","0.0014","20.5298","0.0017","13.922","0.0011","90","","100.402","0.002","90","","5035.6","0.7","150","","150","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C40 H108 Ge6 Se10 Si12 -","- C40 H108 Ge6 Se10 Si12 -","- C80 H216 Ge12 Se20 Si24 -","2","0.5","","Kunz, Tanja; Şahin, Orhan; Schrenk, Claudio; Schnepf, Andreas","LiEC(SiMe<sub>3</sub>)<sub>3</sub> (E = Se, Te) as a new donor of chalcogen atoms for the generation of binary [(R<sub> <i>x</i> </sub>Ge<sub> <i>y</i> </sub>)E<sub> <i>z</i> </sub>] cage compounds with unique structural features.","Dalton transactions (Cambridge, England : 2003)","2021","50","7","2663","2670","10.1039/d0dt04280c","","x-ray","0.71073","MoKα","","0.0789","0.0488","","","0.1138","0.1264","","","","","","0.944","","","","has coordinates,has disorder","262659","2021-03-05","02:09:22",""
"7710805","12.9155","0.0008","11.7376","0.0005","9.6693","0.0005","90","","116.367","0.006","90","","1313.34","0.14","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","RbAg3Ga8Se14","","","- Ag3 Ga8 Rb Se14 -","- Ag3 Ga8 Rb Se14 -","- Ag6 Ga16 Rb2 Se28 -","2","0.5","","Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe<sub>4</sub> and GaSe<sub>4</sub> tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11048","11053","10.1039/d2dt01614a","","","0.71073","MoKα","","0.0243","0.0229","","","0.0528","0.0533","","","","","","1.008","","","","has coordinates","276950","2022-07-26","22:55:42",""
"7710806","12.9694","0.0007","11.7931","0.0005","9.7011","0.0005","90","","116.805","0.005","90","","1324.34","0.13","293","2","293","2","","","","","","","","4","C 1 m 1","C -2y","8","CsAg3Ga8Se14","","","- Ag3 Cs Ga8 Se14 -","- Ag3 Cs Ga8 Se14 -","- Ag6 Cs2 Ga16 Se28 -","2","0.5","","Qiu, Zhi-Xin; Pei, Shao-Min; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong","AAg<sub>3</sub>Ga<sub>8</sub>Se<sub>14</sub> (A = Rb, Cs): second-harmonic generation responses realized through the parallel arrangement of AgSe<sub>4</sub> and GaSe<sub>4</sub> tetrahedrons.","Dalton transactions (Cambridge, England : 2003)","2022","51","29","11048","11053","10.1039/d2dt01614a","","","0.71073","MoKα","","0.0237","0.0218","","","0.0461","0.0464","","","","","","1.046","","","","has coordinates","276950","2022-07-26","22:55:42",""
"7715159","14.8161","0.0004","21.5593","0.0004","14.4379","0.0004","90","","92.943","0.002","90","","4605.7","0.2","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C106 H128 Al2 B N5 O5 -","- C106 H128 Al2 B N5 O5 -","- C212 H256 Al4 B2 N10 O10 -","2","0.5","","Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.","Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.","Dalton transactions (Cambridge, England : 2003)","2024","53","10","4643","4651","10.1039/d3dt04333a","","","0.71073","MoKα","","0.0841","0.0731","","","0.2028","0.2163","","","","","","1.06","","","","has coordinates,has disorder","290913","2024-04-04","23:17:15",""
"8103863","12.9798","","15.1639","","9.3384","","90","","132.31","","90","","1359.24","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","Tl2 (U O2) ((U O2) (P O4))4 (H2 O)2","","- H4 O28 P4 Tl2 U5 -","- O28 P4 Tl2 U5 -","- O56 P8 Tl4 U10 -","2","0.5","","Locock, A.J.; Burns, P.C.","Revised Tl(I)-O bond valence parameters and the structures of thallous dichromae and thallous uranyl phosphate hydrate","Zeitschrift fuer Kristallographie (149,1979-)","2004","219","","259","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","161596","2020-10-21","18:00:00",""
"8104504","5.301","","9.186","","7.281","","90","","90","","90","","354.548","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Mg3 (Si2 O5 (O H)4)","","- H4 Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg6 O18 Si4 -","2","0.5","","Krstanovic, I.","Crystal structure of single-layer lizardite","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1968","126","","163","169","","","","","","","","","","","","","","","","","","","","","","has coordinates","174287","2020-10-21","18:00:00",""
"8105040","8.4055","0.0001","26.9988","0.0003","6.4207","0.0001","90","","98.164","0.001","90","","1442.34","0.03","100","2","100","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C28 H26 Br4 O S Sn -","- C28 H26 Br4 O S Sn -","- C56 H52 Br8 O2 S2 Sn2 -","2","0.5","","Lee, See Mun; Lo, Kong Mun; Tiekink, Edward R.T.","Crystal structure of (dibenzyl sulphoxide-κO)dibromido-bis(4-bromobenzyl-κC)tin(IV), C28H26Br4OSSn","Zeitschrift für Kristallographie - New Crystal Structures","2019","235","1","139","141","10.1515/ncrs-2019-0541","","","1.54184","CuKα","","0.0175","0.0174","","","0.0453","0.0454","","","","","","1.025","","","","has coordinates","274352","2022-04-05","09:39:07",""
"8107565","10.8483","0.0007","9.3377","0.0008","5.4086","0.0003","90","","95.398","0.006","90","","545.45","0.07","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11 H10 N2 O3 S? C~11~H~10~N~2~O~3~S~1~","","- C11 H10 N2 O3 S -","- C11 H10 N2 O3 S -","- C22 H20 N4 O6 S2 -","2","0.5","","Wang, Qinglong; Hou, Xuehui","Crystal structure of 2-(thiazol-2-yl)hexahydro-1H-4,7-epoxyisoindole-1,3(2H)-dione, C11H10N2O3S","Zeitschrift für Kristallographie - New Crystal Structures","2023","238","4","797","798","10.1515/ncrs-2023-0215","","x-ray","1.54184","CuKα","","0.0713","0.0576","","","0.1286","0.1429","","","","","","1.031","","","","has coordinates","286576","2023-09-28","07:39:03",""
"9000021","5.32","","9.21","","10.16","","90","","100.03","","90","","490.203","","","","","","","","","","","","","7","C 1 m 1","C -2y","8","","","Phlogopite","- Al F H K Mg3 O11 Si3 -","- Al F H K Mg3 O11 Si3 -","- Al2 F2 H2 K2 Mg6 O22 Si6 -","2","0.5","","Hendricks, S. B.; Jefferson, M. E.","Polymorphism of the micas with optical measurements Note: Biotite group","American Mineralogist","1939","24","","729","771","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:28",""
"9000150","17.73","","17.82","","7.43","","90","","116.33","","90","","2103.96","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Ca","- Al1.602 Ca H11.333 O16.002 Si4.398 -","- Al1.602 Ca H8.004 O16.002 Si4.398 -","- Al9.612 Ca6 H48.024 O96.012 Si26.388 -","6","1.5","","Merkle, A. B.; Slaughter, M.","The crystal structure of heulandite (Ca,Na2)[Al2Si7O18].6H2O","American Mineralogist","1967","52","","273","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","283852","2023-05-18","08:32:12",""
"9000175","17.73","","17.82","","7.43","","90","","116.33","","90","","2103.96","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Ca","- Al4.8 Ca1.2 H28 O45.55 Si13.2 -","- Al4.8 Ca1.2 H19.1 O45.55 Si13.2 -","- Al9.6 Ca2.4 H38.2 O91.1 Si26.4 -","2","0.5","","Merkle, A. B.; Slaughter, M.","Determination and refinement of the structure of heulandite","American Mineralogist","1968","53","","1120","1138","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:07",""
"9001618","17.767","","17.917","","7.432","","90","","116.33","","90","","2120.39","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","Heulandite","- Al4.446 O44.08 Pb2 Si13.554 -","- Al4.446 O44.22 Pb2 Si13.554 -","- Al8.892 O88.44 Pb4 Si27.108 -","2","0.5","","Gunter, M. E.; Armbruster, T.; Kohler, T.; Knowles, C. R.","Crystal structure and optical properties of Na- and Pb-exchanged heulandite-group zeolites Sample: Pb-exchanged Atomic parameters from ICSD","American Mineralogist","1994","79","","675","682","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9001717","5.323","","9.214","","21.381","","90","","90","","90","","1048.66","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","Dozyite","- Mg3 O9 Si2 -","- Mg3 O9 Si2 -","- Mg18 O54 Si12 -","6","1.5","","Banfield, J. F.; Bailey, S. W.","Formation of regularly interstatified serpentine-chlorite minerals by tetrahedral inversion in long-period serpentine polytypes","American Mineralogist","1996","81","","79","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002902","17.714","","18","","7.43","","90","","116.627","","90","","2117.81","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Sr","- Al4.5 H34 O48.88 Si13.5 Sr2.116 -","- Al4.5 H25.76 O48.88 Si13.5 Sr2.116 -","- Al9 H51.52 O97.76 Si27 Sr4.232 -","2","0.5","","Dobelin, N.; Armbruster, T.","Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: fully hydrated at room temperature","American Mineralogist","2003","88","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9002903","17.698","","17.97","","7.426","","90","","116.653","","90","","2110.76","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Sr","- Al4.5 H34 O48.49 Si13.5 Sr2.094 -","- Al4.5 H24.98 O48.49 Si13.5 Sr2.094 -","- Al9 H49.96 O96.98 Si27 Sr4.188 -","2","0.5","","Dobelin, N.; Armbruster, T.","Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 100 deg C, measured at -170 deg C","American Mineralogist","2003","88","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9002904","17.643","","17.842","","7.418","","90","","116.851","","90","","2083.33","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Sr","- Al4.5 H34 O45.29 Si13.5 Sr2.079 -","- Al4.5 H18.58 O45.29 Si13.5 Sr2.079 -","- Al9 H37.16 O90.58 Si27 Sr4.158 -","2","0.5","","Dobelin, N.; Armbruster, T.","Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 150 deg C, measured at -170 deg C","American Mineralogist","2003","88","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9002905","17.642","","17.775","","7.414","","90","","116.897","","90","","2073.42","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Sr","- Al4.5 H38 O44.58 Si13.5 Sr2.678 -","- Al4.5 H17.16 O44.58 Si13.5 Sr7.148 -","- Al9 H34.32 O89.16 Si27 Sr14.296 -","2","0.5","","Dobelin, N.; Armbruster, T.","Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 200 deg C, measured at -170 deg C","American Mineralogist","2003","88","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9002906","17.6","","17.59","","7.408","","90","","116.76","","90","","2047.78","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Heulandite-Sr","- Al4.5 H21.04 O44.3 Si13.5 Sr1.73 -","- Al4.5 H16.6 O44.3 Si13.5 Sr1.73 -","- Al9 H33.2 O88.6 Si27 Sr3.46 -","2","0.5","","Dobelin, N.; Armbruster, T.","Stepwise dehydration of Sr-exchanged heulandite: A single-crystal X-ray study Note: dehydrated at 250 deg C, measured at -170 deg C","American Mineralogist","2003","88","","527","533","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:08",""
"9003563","14.2446","","13.7884","","7.75","","90","","116.709","","90","","1359.76","","","","","","","","","","","","Khibiny alkaline complex, Kola peninsula, Russia","7","C 1 m 1","C -2y","8","","","Lemmleinite-Ba","- Ba H10 K2 Na2 O32 Si8 Ti4 -","- Ba H10 K2 Na2 O32 Si8 Ti4 -","- Ba2 H20 K4 Na4 O64 Si16 Ti8 -","2","0.5","","Armbruster, T.; Krivovichev, S. V.; Weber, T.; Gnos, E.; Organova, N. N.; Yakovenchuk, V. N.","Origin of diffuse superstructure reflections in labuntsovite-group minerals Note: Predicted ordered structure","American Mineralogist","2004","89","","1655","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9005202","14.692","","14.164","","7.859","","90","","117.87","","90","","1445.74","","","","","","","","","","","","","7","C 1 m 1","C -2y","8","","","Nenadkevichite","- H13.2 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -","- H6.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -","- H12.6 K5.96 Na2.44 Nb4.4 O62.3 Si16 Ti3.6 -","2","0.5","","Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovsky, D. Y.; Nadezhina, T. N.","Crystal structure and microtwinning of K-rich nenadkevichite Note: Wat4 y-coordinate changed to reproduce reported bond lengths","European Journal of Mineralogy","1994","6","","503","509","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005610","11.253","","19.628","","8.932","","90","","100.05","","90","","1942.57","","","","","","","","","","","","Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany","7","C 1 m 1","C -2y","8","","","Sailaufite","- C3 H18 As6 Ca3.434 Mn9 Na2.566 O48 -","- C3 H18 As6 Ca3.434 Mn9 Na2.566 O48 -","- C6 H36 As12 Ca6.868 Mn18 Na5.132 O96 -","2","0.5","","Wildner, M.; Tillmanns, E.; Andrut, M.; Lorenz, J.","Sailaufite, (Ca,Na,_)2Mn3O2(AsO4)2(CO3)*3H2O, a new mineral from Hartkoppe hill, Ober-Sailauf (Spessart mountains, Germany), and its relationship to mitridatite-group minerals and pararobertsite Locality: Hartkoppe hill, Ober-Sailauf, Spessart mountains, Germany","European Journal of Mineralogy","2003","15","","555","564","10.1127/0935-1221/2003/0015-0555","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9008366","33.083","","7.027","","18.499","","90","","94.12","","90","","4289.43","","","","","","","","","","","","Synthetic","3","C 1 m 1","C -2y","8","","","Hatrurite","- Ca27 O45 Si9 -","- Ca27 O45 Si9 -","- Ca108 O180 Si36 -","4","1","","Nishi, F.; Takeuchi, Y.; Maki, I.","Tricalcium silicate Ca3O[SiO4]: The monoclinic superstructure","Zeitschrift fur Kristallographie","1985","172","3-4","297","314","10.1524/zkri.1985.172.3-4.297","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","07:55:58",""
"9009296","12.225","","7.04","","7.055","","90","","125.39","","90","","494.992","","","","","","","","","","","","New South Wales","5","C 1 m 1","C -2y","8","","","Gorceixite","- Al3 Ba H6 O14 P2 -","- Al3 Ba H6 O14 P2 -","- Al6 Ba2 H12 O28 P4 -","2","0.5","","Radoslovich E W","Refinement of gorceixite structure in Cm","Neues Jahrbuch fur Mineralogie, Monatshefte","1982","1982","","446","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009561","14.49","","14.23","","7.881","","90","","117.28","","90","","1444.27","","","","","","","","","","","","","10","C 1 m 1","C -2y","8","","","Tsepinite-K","- Ba0.14 Ca0.2 H19.34 K0.42 Na0.2 Nb1.2 O32.02 Si8 Sr0.64 Ti2.8 -","- Ba0.14 Ca0.2 H8.04 K0.42 Na0.2 Nb1.2 O32.02 Si8 Sr0.64 Ti2.8 -","- Ba0.28 Ca0.4 H16.08 K0.84 Na0.4 Nb2.4 O64.04 Si16 Sr1.28 Ti5.6 -","2","0.5","","Rosenberg K A; Rastsvetaeva R K; Pekov I V; Chukanov N V; Verin I A","Crystal structure of Sr-rich tsepinite","Doklady Akademii Nauk SSSR","2003","393","","784","787","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009985","5.225","","8.997","","7.78","","90","","101.71","","90","","358.121","","","","","","","","","","","","Tafone mine, Tucsany, Italy","5","C 1 m 1","C -2y","8","","","Chapmanite","- Fe2 H O9 Sb Si2 -","- Fe2 H O9 Sb Si2 -","- Fe4 H2 O18 Sb2 Si4 -","2","0.5","","Ballirano, P.; Maras, A.; Marchetti, F.; Merlino, S.; Perchiazzi, N.","Rietveld refinement of chapmanite SbFe2Si2O8OH, a TO dioctahderal kaolinite-like mineral","Powder Diffraction","1998","13","","44","49","10.1017/S0885715600009751","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9009996","9.911","","23.05","","7.097","","90","","127.85","","90","","1280.21","","","","","","","","","","","","Baker mine, Kern County, Boron, California, USA","6","C 1 m 1","C -2y","8","","","Gerstleyite","- As0.8 H2 Na2 O2 S13 Sb7.2 -","- As0.8 H4 Na2 O2 S13 Sb7.2 -","- As1.6 H8 Na4 O4 S26 Sb14.4 -","2","0.5","","Nakai, I.; Appleman, D. E.","The crystal structure of gerstleyite Na2(Sb,As)8S13*2H2O: the first sulfosalt mineral of sodium","Chemistry Letters","1981","1981","","1327","1330","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9011223","11.415","","11.259","","8.661","","90","","107.74","","90","","1060.19","","","","","","","","","","","","Ojuela, Mapimi, Durango, Mexico","5","C 1 m 1","C -2y","8","","","Mapimite","- As3 Fe3 H24 O26 Zn2 -","- As3 Fe3 H24 O26 Zn2 -","- As6 Fe6 H48 O52 Zn4 -","2","0.5","","Ginderow, D.; Cesbron, F.","Structure de la mapimite, Zn2Fe3(AsO4)3(OH)4*10H2O Note: anisoB's from ICSD","Acta Crystallographica, Section B","1981","37","","1040","1043","10.1107/S0567740881005025","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011742","12.225","","7.04","","7.055","","90","","125.39","","90","","494.992","","","","","","","","","","","","","5","C 1 m 1","C -2y","8","","","Gorceixite","- Al3 Ba H7 O14 P2 -","- Al3 Ba H7 O14 P2 -","- Al6 Ba2 H14 O28 P4 -","2","0.5","","Radoslovich, E. W.","Refinement of gorceixite structure in Cm Locality: New South Wales","Neues Jahrbuch fur Mineralogie, Monatshefte","1982","1982","","446","464","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011871","5.21","","9.02","","7.74","","90","","100.667","","90","","357.45","","","","","","","","","","","","Schneeberg, Saxony, Germany","5","C 1 m 1","C -2y","8","","","Bismutoferrite","- Bi Fe2 H O9 Si2 -","- Bi Fe2 H O9 Si2 -","- Bi2 Fe4 H2 O18 Si4 -","2","0.5","","Zhukhlistov, A. P.; Zvyagin, B. B.","Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction","Soviet Physics Crystallography","1977","22","","419","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011872","5.19","","8.99","","7.7","","90","","100.67","","90","","353.056","","","","","","","","","","","","Smilokov, Czechoslovakia","5","C 1 m 1","C -2y","8","","","Chapmanite","- Fe2 H O9 Sb Si2 -","- Fe2 H O9 Sb Si2 -","- Fe4 H2 O18 Sb2 Si4 -","2","0.5","","Zhukhlistov, A. P.; Zvyagin, B. B.","Determination of the crystal structures of chapmanite and bismuthoferrite by high-voltage electron diffraction Note: z(O3) corrected","Soviet Physics Crystallography","1977","22","","419","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011916","10.6","","13.64","","12.47","","90","","119.5","","90","","1569.22","","","","","","","","","","","","","6","C 1 m 1","C -2y","8","","","Bafertisite","- Ba Fe2 H2 O10 Si2 Ti -","- Ba Fe2 H2 O10 Si2 Ti -","- Ba8 Fe16 H16 O80 Si16 Ti8 -","8","2","","Guan, Y. S.; Simonov, V. I.; Belov, N. V.","The crystal structure of bafertisite BaFe2TiO[Si2O7](OH)2","Doklady Akademii Nauk SSSR","1963","149","","1416","1419","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012390","7.171","","8.677","","5.575","","90","","71.74","","90","","329.424","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- Bi Pb Pd2 -","- Bi Pb Pd2 -","- Bi4 Pb4 Pd8 -","4","1","","Mayer, H. W.; Bhatt, Y. C.; Schubert, K.","Kristallstrukturen von Pd2PbBi und Pd4PbBi3","Journal of the Less-Common Metals","1979","66","","1","9","10.1016/0022-5088(79)90189-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012641","14.369","","13.906","","7.812","","90","","117.09","","90","","1389.71","","","","","","","","","","","","Lovozero massif, Kola Peninsula, Russia","10","C 1 m 1","C -2y","8","","","Kuzmenkoite-Mn","- Ba0.03 Fe0.4 H13.17 K1.63 Mn0.56 Na0.18 Nb0.34 O32.25 Si8 Ti3.4 -","- Ba0.03 Fe0.4 H11.85 K1.63 Mn0.56 Na0.18 Nb0.34 O32.25 Si8 Ti3.4 -","- Ba0.06 Fe0.8 H23.7 K3.26 Mn1.12 Na0.36 Nb0.68 O64.5 Si16 Ti6.8 -","2","0.5","","Rastsvetaeva, R. K.; Chukanov, N. V.; Pekov, I. V.","Refined crystal structure of kuzmenkoite","Crystallography Reports","2000","45","","759","761","10.1134/1.1312915","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012643","10.589","","10.217","","7.355","","90","","92.91","","90","","794.695","","","","","","","","","","","","Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia","12","C 1 m 1","C -2y","8","","","Litvinskite","- Al0.18 Ca0.01 Fe0.01 H10 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 -","- Al0.18 Ca0.01 Fe0.01 H6.9 Hf0.01 K0.01 Mn0.14 Na2.51 O18.45 Si5.82 Ti0.01 Zr0.96 -","- Al0.36 Ca0.02 Fe0.02 H13.8 Hf0.02 K0.02 Mn0.28 Na5.02 O36.9 Si11.64 Ti0.02 Zr1.92 -","2","0.5","","Yamnova, N. A.; Egorov-Tismenko Y K; Pekov, I. V.; Ekimenkova, I. A.","Crystal structure of litvinskite: A new natural member of the lovozerite group Locality: Alluaiv mountain, Lovozero massif, Kola Peninsula, Russia","Crystallography Reports","2001","46","","190","193","10.1134/1.1358391","","","","","","","","","","","","","","","","","","","","","has coordinates","283910","2023-05-21","08:17:59",""
"9012748","14.604","","14.274","","7.933","","90","","117.4","","90","","1468.17","","","","","","","","","","","","Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia","10","C 1 m 1","C -2y","8","","","Tsepinite-Na","- Ba0.08 Fe0.02 H11.94 K0.44 Na1.09 Nb1.8 O32.44 Si8 Sr0.2 Ti2.2 -","- Ba0.08 Fe0.02 H6.94 K0.44 Na1.09 Nb1.8 O32.44 Si8 Sr0.2 Ti2.2 -","- Ba0.16 Fe0.04 H13.88 K0.88 Na2.18 Nb3.6 O64.88 Si16 Sr0.4 Ti4.4 -","2","0.5","","Rastsvetaeva, R. K.; Organova, N. I.; Rozhdestvenskaya, I. V.; Shlyukova, Z. V.; Chukanov, N. V.","Crystal structure of oxonium mineral of the nenadkevichite-labuntsovite group from Khibiny massif Locality: Khibinpakhchorr mountain, Khibiny massif, Kola Peninsula, Russia","Doklady Chemistry","2000","371","","52","56","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012753","18.846","","7.242","","12.65","","90","","111.84","","90","","1602.59","","","","","","","","","","","","Khibiny alkaline massif, Kola Peninsula, Russia","8","C 1 m 1","C -2y","8","","","Canasite","- Ca4.6 F2.75 H2.05 K3 Mn0.4 Na3 O32.25 Si12 -","- Ca4.6 F2.75 H3.25 K3 Mn0.4 Na3 O32.25 Si12 -","- Ca9.2 F5.5 H6.5 K6 Mn0.8 Na6 O64.5 Si24 -","2","0.5","","Rastsvetaeva, R. K.; Rozenberg, K. A.; Khomyakov, A. P.; Rozhdestvenskaya, I. V.","Crystal structure of F-canasite","Doklady Chemistry","2003","391","","177","180","10.1023/A:1024738629041","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9012776","14.381","","13.889","","7.793","","90","","117.52","","90","","1380.43","","","","","","","","","","","","Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia","15","C 1 m 1","C -2y","8","","","Lepkhenelmite-Zn","- Al0.112 Ba0.92 Ca0.26 Fe0.04 H10.667 K0.54 Mg0.01 Mn0.15 Na0.24 Nb1.024 O31.222 Si7.888 Sr0.22 Ti2.968 Zn0.58 -","- Al0.112 Ba0.9197 Ca0.2602 Fe0.04 H6.444 K0.5402 Mg0.01 Mn0.15 Na0.2398 Nb1.024 O31.222 Si7.888 Sr0.2201 Ti2.968 Zn0.58 -","- Al0.224 Ba1.8394 Ca0.5204 Fe0.08 H12.888 K1.0804 Mg0.02 Mn0.3 Na0.4796 Nb2.048 O62.444 Si15.776 Sr0.4402 Ti5.936 Zn1.16 -","2","0.5","","Pekov, I. V.; Chukanov, N. V.; Shilov, G. V.; Kononkova, N. N.; Zadov, A. E.","Lepkhenelmite-Zn, Ba2Zn(Ti,Nb)4[Si4O12]2(O,OH)4*7(H2O) - a new mineral of the labuntsovite group and its crystal structure Locality: Lepkhe-Nelm Mt, Lovozero, Kola Peninsula, Russia Note: y(M1) corrected","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","133","","49","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9012851","11.51","","13.01","","8.15","","90","","134","","90","","877.899","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","","","- O12 P4 U -","- O12 P4 U -","- O48 P16 U4 -","4","1","","Locock, A. J.","Crystal chemistry of actinide phosphates and arsenates","Structural Chemistry of Inorganic Actinide Compounds","2006","6","","214","278","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013433","17.372","","27.9419","","10.6661","","90","","93.152","","90","","5169.56","","","","","","","","","","","","Merehead Quarry, Cranmore, Somerset, England","6","C 1 m 1","C -2y","8","","","Mereheadite","- C H13 B2 Cl25 O46 Pb47 -","- C H13 B2 Cl25 O46 Pb47 -","- C2 H26 B4 Cl50 O92 Pb94 -","2","0.5","","Krivovichev, S. V.; Turner, R.; Rumsey, M.; Sidra, O. I.; Kirk, C. A.","The crystal structure and chemistry of mereheadite","Mineralogical Magazine","2009","73","","103","117","10.1180/minmag.2009.073.1.103","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:50",""
"9014345","14.692","","14.164","","7.859","","90","","117.87","","90","","1445.74","","","","","","","","","","","","Vuoriyarvi, Kola Peninsula","7","C 1 m 1","C -2y","8","","","Vuoriyarvite","- H10.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -","- H10.3 K2.98 Na1.22 Nb2.2 O31.15 Si8 Ti1.8 -","- H20.6 K5.96 Na2.44 Nb4.4 O62.3 Si16 Ti3.6 -","2","0.5","","Rastsvetaeva, R. K.; Tamazyan, R. A.; Pushcharovskii D Yu; Nadezhina, T. N.; Voloshin, A. V.","K-nenadkevichite, a new representative of the nenadkevichite-labuntsovite series","Crystallography Reports","1994","39","","908","914","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9015750","14.491","","13.911","","7.822","","90","","117.59","","90","","1397.49","","","","","","","","","","","","Lovozero alkaline massif, Kola Peninsula, Russia","13","C 1 m 1","C -2y","8","","","Alsakharovite-Zn","- Ba0.1 Ca Fe0.05 H12.11 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9 -","- Ba0.1 Ca Fe0.05 H10.71 K0.5 Mn0.05 Na1.6 Nb1.2 O32.87 Si8 Sr1.4 Ti2.8 Zn0.9 -","- Ba0.2 Ca2 Fe0.1 H21.42 K Mn0.1 Na3.2 Nb2.4 O65.74 Si16 Sr2.8 Ti5.6 Zn1.8 -","2","0.5","","Rozenberg, K. A.; Rastsvetaeva, R. K.; Pekov, I. V.; Chukanov, N. V.","New Zn-rich representative of the labuntsovite group: crystal structure and microtwinning Note: x-coordinate of O15 was changed","Doklady Chemistry","2002","383","","110","113","10.1023/A:1015456306621","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:55:07",""
"9016295","6.3089","","20.10379","","5.1172","","90","","91.134","","90","","648.902","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","","","- Na5 O15 P3 V2 -","- Na10 O30 P6 V4 -","- Na10 O30 P6 V4 -","","","","Le Bail, A.","On the structure of Na5V2P3O14*(H2O) _cod_database_code 1000145","Journal of Solid State Chemistry","1993","102","","281","282","10.1006/jssc.1993.1033","","","","","","","","","","","","","","","","","","","","","has coordinates","201816","2020-10-21","18:00:00",""
"9017402","10.0394","","15.1935","","6.6344","","90","","115.645","","90","","912.283","","","","","","","","","","","","Zoulou iron deposit, Anhui Province, China","5","C 1 m 1","C -2y","8","","","Scawtite","- C H4 Ca7 O23 Si6 -","- C2 H8 Ca14 O46 Si12 -","- C2 H8 Ca14 O46 Si12 -","","","","Zhang, L.; Fu, P.; Yang, H.; Yu, K.; Zhou, Z.","Crystal structure of Scawtite","Chinese Science Bulletin","1992","37","","930","934","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","07:57:59",""
"9017416","14.365","","13.887","","7.814","","90","","117.36","","90","","1384.42","","","","","","","","","","","","Khibiny alkaline massif, Kola peninsula, Russia","9","C 1 m 1","C -2y","8","","","Gutkovaite-Mn","- Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 -","- Ba0.1 Ca0.6 H9.8 K1.55 Mn0.89 Nb0.1 O32.9 Si8 Ti3.9 -","- Ba0.2 Ca1.2 H19.6 K3.1 Mn1.78 Nb0.2 O65.8 Si16 Ti7.8 -","2","0.5","","Rastsvetaeva, R. K.; Pekov, I. V.; Nekrasov, Y. V.","Crystal structure and microtwinning of a calcium-rich analogue of labuntsovite","Crystallography Reports","2001","46","","365","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017683","17.276","","35.957","","7.256","","90","","91.359","","90","","4506.11","","","","","","","","","","","","Innsbruck, Tyrol, Austria","4","C 1 m 1","C -2y","8","","","Innsbruckite","- H38 Mn33 O108 Si28 -","- H76 Mn66 O216 Si56 -","- H76 Mn66 O216 Si56 -","","","","Kruger, H.; Tropper, P.; Haefeker, U.; Kaindl, R.; Tribus, M.; Kahlenberg, V.; Wikete, C.; Fuchs, M. R.; Olieric, V.","Innsbruckite, Mn33(Si2O5)14(OH)38 - a new mineral from the Tyrol, Austria","Mineralogical Magazine","2014","78","","1613","1627","","","","","","","","","","","","","","","","","","","","","","has coordinates","282074","2023-03-27","08:23:33",""
"9017825","10.7232","","13.812","","12.563","","90","","119.9","","90","","1613.03","","","","","","","","","","","","Inyl'chek ridge, southeast Kirgiziya","6","C 1 m 1","C -2y","8","","","Hejtmanite","- Ba H2 Mn2 O10 Si2 Ti -","- Ba H2 Mn2 O10 Si2 Ti -","- Ba8 H16 Mn16 O80 Si16 Ti8 -","8","2","","Rastsvetaeva, R. K.; Tamazyan, R. A.; Sokolova, E. V.; Belakovskii, D. I.","Crystal structures of two modifications of natural Ba, Mn-titanosilicate Note: sample II","Soviet Physics Crystallography","1991","36","","186","189","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""