# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T11:38:12+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P 3' 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
"1000429","9.888","0.0001","9.888","0.0001","3.217","0.0001","90","","90","","120","","272.4","","","","","","","","","","","","","4","P 3","P 3","143","","Barium calcium indium oxide (0.83/2.10/6/12)","","- Ba0.83 Ca2.1 In6 O12 -","- Ba0.83 Ca2.1 In6 O12 -","- Ba0.83 Ca2.1 In6 O12 -","1","0.333333","","Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D","Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12","Acta Crystallographica B (39,1983-)","1996","52","","780","789","","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001038","6.112","0.002","6.112","0.002","7.24","0.002","90","","90","","120","","234.2","","","","","","","","","","","","","3","P 3","P 3","143","","Disodium uranium fluoride - $-delta","","- F6 Na2 U -","- F6 Na2 U -","- F12 Na4 U2 -","2","0.666667","","Cousson, A; Tabuteau, A; Pages, M; Gasperin, M","Disodium uranium(IV) fluoride","Acta Crystallographica B (24,1968-38,1982)","1979","35","","1198","1200","10.1107/S0567740879005872","","","","","","0.098","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001210","9.9509","0.0007","9.9509","0.0007","11.2393","0.0007","90","","90","","120","","963.8","","","","","","","","","","","","","5","P 3","P 3","143","","Cadmium dinickel chloride dodecahydrate","","- Cd Cl6 H24 Ni2 O12 -","- Cd Cl6 H24 Ni2 O12 -","- Cd2 Cl12 H48 Ni4 O24 -","2","0.666667","","Leclaire, A; Borel, M M","Structure de l'Hexachlorure de Cadmium et de Dinckel Dodecahydrate","Acta Crystallographica B (24,1968-38,1982)","1982","38","","234","236","10.1107/S0567740882002441","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1004127","6.5534","0.0005","6.5534","0.0005","6.174","0.0007","90","","90","","120","","229.6","","","","","","","","","","","","","4","P 3","P 3","143","","Tetraaqualithium tetrahydroxoborate dihydrate","","- B H16 Li O10 -","- B H32 Li O10 -","- B H32 Li O10 -","1","0.333333","","Touboul, M; Betourne, E; Nowogrocki, G","Crystal structure and dehydration process of Li (H2 O)4 B (O H)4 . 2(H2 O)","Journal of Solid State Chemistry","1995","115","","549","553","10.1006/jssc.1995.1172","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010151","6.26","","6.26","","18.2","","90","","90","","120","","617.7","","","","","","","","","","","","","2","P 3","P 3","143","","Chromium bromide","","- Br3 Cr -","- Br3 Cr -","- Br18 Cr6 -","6","2","","Braekken, H","Die Kristallstruktur von Chromtribromid","Kongelige Norske Videnskapers Selskab, Forhandlinger","1932","5","","42","42","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010622","7.498","","7.498","","20.676","","90","","90","","120","","1006.7","","","","","","","","","","","","","2","P 3","P 3","143","","Bismuth triiodide","","- Bi I3 -","- Bi I3 -","- Bi6 I18 -","6","2","","Braekken, H","Die Kristallstruktur der Trijodide von Arsen, Antimon und Wismut","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1930","74","","67","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1510332","8.095","","8.095","","5.794","","90","","90","","120","","328.808","","","","","","","","","","","","","2","P 3","P 3","143","","","","- Au1.01 Cd0.99 -","- Au Cd -","- Au9 Cd9 -","9","3","","Otsuka, K.; Ohba, T.; Emura, Y.","Crystal structure of gamma-martensite and the mechanism of beta2 - zeta2' transformation in a Au49.5 at.% Cd alloy","Materials Transactions, JIM","1992","33","","29","37","10.2320/matertrans1989.33.29","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511117","8.58","","8.58","","5.41","","90","","90","","120","","344.907","","","","","","","","","","","","","4","P 3","P 3","143","","Eu3 (B W O9)","","- B Eu3 O9 W -","- B Eu3 O9 W -","- B2 Eu6 O18 W2 -","2","0.666667","","Efremov, V.A.; Chistova, V.I.; Ilyukhin, A.B.; Dzhurinskii, B.F.; Gokhman, L.Z.","Synthesis and structure of boratotungstates Ln3BWO9 (Ln=La,Pr,Nd,Sm-Ho)","Zhurnal Neorganicheskoi Khimii","1994","39","","1075","1079","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1514873","15.304","0.0015","15.304","0.0015","6.6658","0.0013","90","","90","","120","","1352.1","0.3","296","2","296","2","","","","","","","","5","P 3","P 3","143","","","","- C9 H26 N2 O12 Ti -","- C9 H26 N2 O12 Ti -","- C27 H78 N6 O36 Ti3 -","3","1","","Seisenbaeva, Gulaim A.; Daniel, Geoffrey; Nedelec, Jean-Marie; Kessler, Vadim G.","Solution equilibrium behind the room-temperature synthesis of nanocrystalline titanium dioxide.","Nanoscale","2013","5","8","3330","3336","10.1039/c3nr34068f","","","0.71073","MoKα","","0.0237","0.0219","","","0.0509","0.0516","","","","","","0.968","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516777","20.637","0.003","20.637","0.003","4.4453","0.0007","90","","90","","120","","1639.6","0.4","130","2","130","2","","","","","","","","3","P 3","P 3","143","","","","- C27 H30 O6 -","- C27 H30 O6 -","- C81 H90 O18 -","3","1","","Wright, Nathan E.; ElSohly, Adel M.; Snyder, Scott A.","Syntheses of Cyclotriveratrylene Analogues and Their Long Elusive Triketone Congeners.","Organic letters","2014","16","14","3644","","10.1021/ol501284s","","","0.71073","MoKα","","0.0467","0.0379","","","0.086","0.0915","","","","","","1.016","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1521820","9.51","","9.51","","7.01","","90","","90","","120","","549.047","","","","","","","","","","","","","11","P 3","P 3","143","","(Na2 Ca3.55 Sr2.3 Ce1.3 La0.6 Nd0.25) (P5.8 Si0.2) O24 F1.41 (O H)0.63","","- Ca3.55 Ce1.3 F1.41 H0.63 La0.6 Na2 Nd0.25 O24.63 P5.8 Si0.2 Sr2.3 -","- Ca3.548 Ce1.299 F1.41 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","- Ca3.548 Ce1.299 F1.41 La0.6 Na1.999 Nd0.25 O24.63 P5.799 Si0.201 Sr2.301 -","1","0.333333","","Rastsvetaeva, R.K.; Khomyakov, A.P.","Crystal structure of deloneite-(Ce), a high-order Ca-analog of belovite","Doklady Akad. Nauk","1996","349","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522872","4.933","","4.933","","43.98","","90","","90","","120","","926.847","","","","","","","","","","","","","2","P 3","P 3","143","","","","- Al5 Mo -","- Al5 Mo -","- Al50 Mo10 -","10","3.33333","","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",""
"1523008","4.346","","4.346","","6.835","","90","","90","","120","","111.802","","","","","","","","","","","","","3","P 3","P 3","143","","Bi Te I","","- Bi I Te -","- Bi I Te -","- Bi I Te -","1","0.333333","","Tomokiyo, A.; Kawano, S.; Okada, T.","Phase diagram of system (Bi2 Te3)-(Bi I3) and crystal structure of Bi Te I","Japanese Journal of Applied Physics","1977","16","","291","298","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525782","9.0925","","9.0925","","8.129","","90","","90","","120","","582.015","","","","","","","","","","","","","4","P 3","P 3","143","","Rb U Sb0.33 Te6","","- Rb Sb0.33 Te6 U -","- Rb0.985 Sb0.33 Te6 U -","- Rb1.97 Sb0.66 Te12 U2 -","2","0.666667","","Choi, K.-S.; Kanatzidis, M.G.","Unique periodic modulations in the infinite (Tex)(n-) chains of Rb U Sb0.33 Te6","Journal of Solid State Chemistry","2001","161","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526857","13.638","","13.638","","6.475","","90","","90","","120","","1042.97","","","","","","","","","","","","","3","P 3","P 3","143","","Be4 O (N O3)6","","- Be4 N6 O19 -","- Be4 N6 O19 -","- Be12 N18 O57 -","3","1","","Troyanov, S.I.; Tikhomirov, G.A.; Znamenkov, K.O.; Morozov, I.V.","Crystal structure of beryllium nitrate complexes (N O)2 (Be (N O3)4) and Be O (N O3)6","Zhurnal Neorganicheskoi Khimii","2000","45","","1941","1948","","","","","","","","","","","","","","","","","","","","","","has coordinates","148112","2020-10-21","18:00:00",""
"1527995","11.61","","11.61","","4.74","","90","","90","","120","","553.316","","","","","","","","","","","","","3","P 3","P 3","143","","Ba Ge Ge3 O9","","- Ba Ge4 O9 -","- Ba Ge4 O9 -","- Ba3 Ge12 O27 -","3","1","","Robbins, C.; Perloff, A.; Block, S.","Crystal structure of Ba Ge Ge3 O9 and its relation to benitoite","Journal of Research of the National Bureau of Standards, Section A. Physics and Chemistry","1966","70","","385","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528032","4.277","","4.277","","9.373","","90","","90","","120","","148.487","","","","","","","","","","","","","3","P 3","P 3","143","","","","- Ge Li1.08 Zn0.92 -","- Ge Li1.08333 Zn0.916667 -","- Ge3 Li3.25 Zn2.75 -","3","1","","Schoenemann, H.; Schuster, H.U.","Li1.25 Zn Ge und Li Cu0.93 As - zwei isotype Phasen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","432","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528033","4.125","","4.125","","9.025","","90","","90","","120","","132.992","","","","","","","","","","","","","3","P 3","P 3","143","","","","- As Cu0.93 Li -","- As Cu0.916667 Li -","- As3 Cu2.75 Li3 -","3","1","","Schoenemann, H.; Schuster, H.U.","Li1.25 Zn Ge und Li Cu0.93 As - zwei isotype Phasen","Zeitschrift fuer Anorganische und Allgemeine Chemie","1977","432","","87","94","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528813","12.847","","12.847","","26.461","","90","","90","","120","","3782.16","","","","","","","","","","","","","9","P 3","P 3","143","","(Ca0.5 Na0.5)24 K10 (Si0.5 Al0.5)60 O120 (S O4)5.6 Cl1.5 (C O3)0.4 (H2 O)11","","- C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -","- C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -","- C0.36 Al30 Ca11.415 Cl1.56 K9.789 Na18.423 O154.74 S5.45 Si30 -","1","0.333333","","Rastsvetaeva, R.K.; Chukanov, N.V.; Ivanova, A.G.","Crystal structure of a new ten-layer feldspathoid of the cancrinite group","Kristallografiya","2009","54","","223","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529638","3.908","","3.908","","6.279","","90","","90","","120","","83.048","","","","","","","","","","","","","3","P 3","P 3","143","","Li1.8 Fe1.17 S2","","- Fe1.17 Li1.8 S2 -","- Fe1.1725 Li1.8 S2 -","- Fe4.69 Li7.2 S8 -","4","1.33333","","Blandeau, L.; Ouvrard, G.; Rouxel, J.; Brec, R.; Calage, Y.","Transition-metal dichalcogenides from disintercalation processes. Crystal structure determination and Moessbauer study of Li2 Fe S2 and its disintercalates Lix Fe S2 (0.2< x< 2)","Journal of Physics C","1987","20","","4271","4281","","","","","","","","","","","","","","","","","","","","","","has coordinates","154118","2020-10-21","18:00:00",""
"1529641","6.926","","6.926","","10.177","","90","","90","","120","","422.781","","","","","","","","","","","","","4","P 3","P 3","143","","K2 Zr (Si3 O9)","","- K2 O9 Si3 Zr -","- K2 O9 Si3 Zr -","- K4 O18 Si6 Zr2 -","2","0.666667","","Blinov, V.A.; Shumyatskaya, N.G.; Ilyukhin, V.V.; Belov, N.V.; Voronkov, A.A.","Refinement of the crystal structure of wadeite K2 Zr (Si3 O9) and its relation to kindred structural types","Kristallografiya","1977","22","","59","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530161","2.643","","2.643","","4.308","","90","","90","","120","","26.062","","","","","","","","","","","","","2","P 3","P 3","143","","Ni2 H","","- H Ni2 -","- H Ni2 -","- H Ni2 -","1","0.333333","","Khodyrev, Yu.P.; Baranova, R.V.; Imamov, R.M.; Semiletov, S.A.","Electron diffraction investigation of hexagonal nickel hydride","Kristallografiya","1978","23","","724","728","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530482","17.91","","17.91","","7.16","","90","","90","","120","","1989","","","","","","","","","","","","","3","P 3","P 3","143","","Sr7 Al12 O25","","- Al12 O25 Sr7 -","- Al12 O25 Sr7 -","- Al36 O75 Sr21 -","3","1","","Nevskii, N.N.; Ilyukhin, V.V.; Glasser, L.D.; Belov, N.V.","The crystal structure of the simplest strontium aluminate with three-dimensional framework","Doklady Akademii Nauk SSSR","1978","241","","821","824","","","","","","","","","","","","","","","","","","","","","","has coordinates","155601","2020-10-21","18:00:00",""
"1530956","8.8056","","8.8056","","4.7232","","90","","90","","120","","317.165","","","","","","","","","","","","","3","P 3","P 3","143","","Mn (Sb2 O6)","","- Mn O6 Sb2 -","- Mn O6 Sb2 -","- Mn3 O18 Sb6 -","3","1","","Vincent, H.; Turrillas, X.M.; Rasines, I.","A novel structure type of hexagonal closest packing: The ternary oxide, beta Mn Sb2 O6","Materials Research Bulletin","1987","22","","1369","1379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531202","8.31","","8.31","","5.205","","90","","90","","120","","311.282","","","","","","","","","","","","","2","P 3","P 3","143","","Si1.016 O2","","- O2 Si1.016 -","- O1.97667 Si1.01633 -","- O11.86 Si6.098 -","6","2","","Bolotina, N.B.; Bendeliani, N.A.; Lityagina, L.M.; Dyuzheva, T.I.","Structure investigations of single crystals of stishovite","Poverkhnostnye Fizika, Khimiya, Mekhanika","2002","2002","","20","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","156558","2020-10-21","18:00:00",""
"1535552","6.2531","","6.2531","","20.0685","","90","","90","","120","","679.573","","","","","","","","","","","","","3","P 3","P 3","143","","","","- La Nb7 O19 -","- La Nb7 O19 -","- La2 Nb14 O38 -","2","0.666667","","Hofmann, R.; Gruehn, R.","Zur Darstellung und Struktur neuer Niobate: LnNb7O19 (Ln = La, Ce)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","105","117","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535859","10.576","","10.576","","6.669","","90","","90","","120","","646.003","","","","","","","","","","","","","5","P 3","P 3","143","","Na5 Cr (P O4)2 F2","","- Cr F2 Na5 O8 P2 -","- Cr F2 Na5 O8 P2 -","- Cr3 F6 Na15 O24 P6 -","3","1","","Nagornyi, P.G.; Tret'yak, S.M.; Kornienko, Z.I.; Kapshuk, A.A.; Mitkevich, V.V.","Synthesis and structure of new fluorophosphate Na5Cr(PO4)2F2","Zhurnal Neorganicheskoi Khimii","1990","35","","839","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536253","3.83","","3.83","","5.9","","90","","90","","120","","74.951","","","","","","","","","","","","","3","P 3","P 3","143","","Si2 H2 O","","- H2 O Si2 -","- O Si2 -","- O Si2 -","1","0.333333","","Dahn, J.R.; Way, B.M.; Tse, J.S.; Fuller, E.","Structures of siloxene and layered polysilane (Si6 H6)","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1993","48","","17872","17877","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536434","10.19","","10.19","","10.624","","90","","90","","120","","955.36","","","","","","","","","","","","","3","P 3","P 3","143","","Pb5 Ge3 O11","","- Ge3 O11 Pb5 -","- Ge3 O11 Pb5 -","- Ge9 O33 Pb15 -","3","1","","Kay, M.I.; Newnham, R.E.; Wolfe, R.W.","The crystal structure of the ferroelectric phase of Pb5 Ge3 O11","Ferroelectrics","1975","9","","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","164140","2020-10-21","18:00:00",""
"1538533","12.757","","12.757","","32.211","","90","","90","","120","","4539.75","","","","","","","","","","","","","8","P 3","P 3","143","","Na31.1 Ca15.94 K0.96 (Si36 Al36 O144) (S O4)9.3 (S O3)0.7 Cl8","","- Al36 Ca15.94 Cl8 K0.96 Na31.1 O183.3 S10 Si36 -","- Al36 Ca15.93 Cl8 K0.96 Na31.11 O183.3 S10 Si36 -","- Al36 Ca15.93 Cl8 K0.96 Na31.11 O183.3 S10 Si36 -","1","0.333333","","Rozenberg, K.A.; Sapozhnikov, A.N.; Kashaev, A.A.; Rastsvetaeva, R.K.; Bolotina, N.B.","Crystal structure and of a new representative of the cancrinite group with a 12-layer staking sequence of tetrahedral rings","Kristallografiya","2004","49","","714","721","","","","","","","","","","","","","","","","","","","","","","has coordinates","167152","2020-10-21","18:00:00",""
"1539132","10.9597","","10.9597","","5.0774","","90","","90","","120","","528.165","","","","","","","","","","","","","3","P 3","P 3","143","","Co (I O3)2","","- Co I2 O6 -","- Co1.02925 I2 O6 -","- Co4.117 I8 O24 -","4","1.33333","","Svensson, C.; Abrahams, S.C.; Bernstein, J.L.","Crystal Structure and Pyroelectric Coefficient of Co (I O3)2 and Structural Relationships among the Anhydrous Noncentrosymmetric 3d-Transition Metal Iodates","Journal of Solid State Chemistry","1981","36","","195","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540884","7.0411","","7.0411","","7.1001","","90","","90","","120","","304.843","","","","","","","","","","","","","3","P 3","P 3","143","","","","- In Si Te3 -","- In Si Te3 -","- In Si Te3 -","1","0.333333","","Sandre, E.; Carteaux, V.; Ouvrard, G.","A new lamellar tellurosilicate In Si Te3","Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie 2 (1984-1993)","1992","314","","1151","1156","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1547730","39.0759","0.0005","39.0759","0.0005","7.99482","0.00013","90","","90","","120","","10572","0.3","93","","93","","","","","","","","","3","P 3","P 3","143","","","","- C27 H24 S6 -","- C27 H24 S6 -","- C486 H432 S108 -","18","6","","Shoji, Yoshiaki; Kajitani, Takashi; Ishiwari, Fumitaka; Ding, Qiang; Sato, Hiroyasu; Anetai, Hayato; Akutagawa, Tomoyuki; Sakurai, Hidehiro; Fukushima, Takanori","Hexathioalkyl sumanenes: An electron-donating buckybowl as a building block for supramolecular materials","Chem. Sci.","2017","","","","","10.1039/C7SC03860G","","","1.54187","CuKα","","0.0923","0.0831","","","0.2176","0.2465","","","","","","1.085","","","","has coordinates,has disorder","202140","2020-10-21","18:00:00",""
"1548235","12.56","0.03","12.56","0.03","3.944","0.009","90","","90","","120","","539","2","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","- H14 Mo6 N2 O24 Te -","1","0.333333","","Zhenxin Zhang; Toru Murayama; Masahiro Sadakane; Hiroko Ariga; Nobuhiro Yasuda; Norihito Sakaguchi; Kiyotaka Asakura; Wataru Ueda","Ultrathin inorganic molecular nanowire based on polyoxometalates","Nature Communications","2015","6","","7731","","10.1038/ncomms8731","","","0.78179","Synchrotron","","0.1718","0.0812","","","0.1726","0.2027","","","","","","0.802","","","","has coordinates,has disorder","203620","2020-10-21","18:00:00",""
"1550831","9.756","0.0008","9.756","0.0008","10.117","0.003","90","","90","","120","","833.9","0.3","293","2","293","2","","","101325","","","","synthetic","6","P 3","P 3","143","","Sodium magnesium iron(III) oxalate hexahydrate","","- C6 H12 Fe Mg Na O18 -","- C6 H12 Fe Mg Na O18 -","- C12 H24 Fe2 Mg2 Na2 O36 -","2","0.666667","","Huskic, Igor; Novendra, Novendra; Lim, Dae-Woon; Topić, Filip; Titi, Hatem M.; Pekov, I. V.; Krivovichev, S.; Navrotsky, Alexandra; Kitagawa, Hiroshi; Friščić, Tomislav","Functionality in Metal-Organic Framework Minerals: Proton Conductivity, Stability and Potential for Polymorphism","Chemical Science","2019","","","","","10.1039/C8SC05088K","","x-ray","0.71073","MoKα","","0.0669","0.0576","","","0.1382","0.1475","","","","","","1.084","","","","has coordinates","214453","2020-10-21","18:00:00",""
"1551343","29.331","0.004","29.331","0.004","59.183","0.012","90","","90","","120","","44094","12","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C488 H460 Cl12 N80 O88 -","- C463 H383 Cl12 N80 O88 -","- C1389 H1149 Cl36 N240 O264 -","3","1","","Soumen De; Bo Chi; Thierry Granier; Ting Qi; Victor Maurizot; Ivan Huc","Designing cooperatively folded abiotic uni- and multimolecular helix bundles","Nature Chemistry","2018","10","","51","57","10.1038/nchem.2854","","","0.85","","","0.1421","0.1251","","","0.2917","0.2986","","","","","","1.74","","","","has coordinates,has disorder","215840","2020-10-21","18:00:00",""
"1552001","9.512","0.0013","9.512","0.0013","3.987","0.0008","90","","90","","120","","312.41","0.09","173","2","173","2","","","","","","","","5","P 3","P 3","143","Trisodiumbenzenetrihydroxytrisulfonate","","","- C2 H0 Na O4 S -","- C2 Na O4 S -","- C6 Na3 O12 S3 -","3","1","","Jeff A. Hurd; Ramanathan Vaidhyanathan; Venkataraman Thangadurai; Christopher I. Ratcliffe; Igor L. Moudrakovski; George K. H. Shimizu","Anhydrous proton conduction at 150 C in a crystalline metal-organic framework","Nature Chemistry","2009","1","","705","710","10.1038/nchem.402","","","0.71073","MoKα","","0.0418","0.0324","","","0.0652","0.0689","","","","","","1.117","","","","has coordinates,has disorder","216810","2020-10-21","18:00:00",""
"1553646","16.8376","0.0005","16.8376","0.0005","7.8829","0.0003","90","","90","","120","","1935.43","0.11","100","","100.08","","","","","","","","","6","P 3","P 3","143","","","","- C24 H27 B2 F11 Fe N6 -","- C24 H27 B2 F11 Fe N6 -","- C72 H81 B6 F33 Fe3 N18 -","3","1","","Thorarinsdottir, Agnes E.; Gaudette, Alexandra I.; Harris, T. David","Spin-crossover and high-spin iron(ii) complexes as chemical shift <sup>19</sup>F magnetic resonance thermometers.","Chemical science","2017","8","3","2448","2456","10.1039/c6sc04287b","","","0.71073","MoKα","","0.0375","0.0365","","","0.0948","0.0958","","","","","","1.026","","","","has coordinates,has disorder","235370","2020-10-21","18:00:00",""
"1558013","9.7756","0.0001","9.7756","0.0001","8.7186","0.0002","90","","90","","120","","721.55","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 H51 I2 N19 -","- Be4 H23.9997 I2 N19 -","- Be4 H23.9997 I2 N19 -","1","0.333333","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.045","0.0447","","","0.1274","0.1277","","","","","","1.164","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558015","14.2177","0.0013","14.2177","0.0013","8.56","0.0012","90","","90","","120","","1498.5","0.3","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Br2 H36 N14 -","- Be4 Br2 H23.9997 N14 -","- Be12 Br6 H71.9991 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0705","0.0697","","","0.1757","0.1768","","","","","","1.019","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558016","13.9342","0.0001","13.9342","0.0001","8.3727","0.0001","90","","90","","120","","1407.86","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Cl2 H36 N14 -","- Be4 Cl2 H36 N14 -","- Be12 Cl6 H108 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0189","0.0175","","","0.0392","0.0395","","","","","","1.028","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558020","14.1334","0.0003","14.1334","0.0003","8.5563","0.0003","90","","90","","120","","1480.16","0.07","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- C2 H36 Be4 N16 -","- C2 H35.9997 Be4 N16 -","- C6 H107.999 Be12 N48 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0407","0.034","","","0.084","0.0862","","","","","","0.995","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1559218","27.0597","0.0016","27.0597","0.0016","8.5587","0.0006","90","","90","","120","","5427.3","0.6","293","2","293","2","","","","","","","","5","P 3","P 3","143","kaliophilite","","","- Al27 K24.67 Na2.33 O108 Si27 -","- Al27 K24.6685 Na2.3315 O108 Si27 -","- Al54 K49.337 Na4.663 O216 Si54 -","2","0.666667","","Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel","The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem","IUCrJ","2020","7","6","","","10.1107/S2052252520012270","","","0.71073","MoKα","","0.0898","0.0768","","","0.1733","0.1822","","","","","","1.021","","","","has coordinates","256824","2020-10-21","18:00:00",""
"1559870","20.793","0.004","20.793","0.004","16.882","0.003","90","","90","","120","","6321","2","240","1","240","1","","","","","","","","4","P 3","P 3","143","Keinan-58 Polymorph A","Decakis(t-butylsulfido)corannulene","","- C60 H94.33 O2.33 S10 -","- C60 H94.33 O2.33 S10 -","- C180 H282.99 O6.99 S30 -","3","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.1836","0.0995","","","0.2371","0.2722","","","","","","1.427","","","","has coordinates","260155","2020-12-26","01:41:22",""
"1562155","22.43472","0.00013","22.43472","0.00013","5.33154","0.00004","90","","90","","120","","2323.94","0.03","293","","","","","","","","","","","5","P 3","P 3","143","","","","- Mn3 O14 P2 Pb3 Te -","- Mn7 O32.6667 P4.66666 Pb7 Te2.33333 -","- Mn21 O98 P14 Pb21 Te6.99999 -","3","1","","Silverstein, Harlyn J.; Huq, Ashfia; Lee, Minseong; Choi, Eun Sang; Zhou, Haidong; Wiebe, Christopher R.","Nuclear and magnetic supercells in the multiferroic candidate: Pb3TeMn3P2O14","Journal of Solid State Chemistry","2015","221","","216","223","10.1016/j.jssc.2014.10.007","powder diffraction","","","X-ray","","","","","","","","","3.4011","","","","","","","","has coordinates","264584","2021-04-27","08:45:08",""
"1562286","19.06","0.003","19.06","0.003","11.965","0.003","90","","90","","120","","3764.3","1.3","298","2","298","2","","","","","","","","5","P 3","P 3","143","","","","- C102 H96 N12 O36 Pr2 -","- C102 H96 N12 O36 Pr2 -","- C102 H96 N12 O36 Pr2 -","1","0.333333","","Song, Xue-Qin; Lei, Yao-Kun; Wang, Xiao-Run; Zhao, Meng-Meng; Peng, Yun-Qiao; Cheng, Guo-Quan","Lanthanide coordination polymers: Synthesis, diverse structure and luminescence properties","Journal of Solid State Chemistry","2014","218","","202","212","10.1016/j.jssc.2014.06.025","","","0.71073","MoKα","","0.1764","0.0884","","","0.2218","0.2872","","","","","","0.993","","","","has coordinates","264697","2021-04-29","09:40:16",""
"2000125","20.0746","0.0002","20.0746","0.0002","8.5839","0.0001","90","","90","","120","","2995.77","","","","","","","","","","","","","7","P 3","P 3","143","","","","- C22 H52 F4 Ga4 N4 O16 P4 -","- C22 H52 F10 Ga11 N4 O47 P10 -","- C66 H156 F30 Ga33 N12 O141 P30 -","3","1","","Reinert, P.; Patarin, J.; Loiseau, T.; Férey, G.; Kessler, H.","Synthesis, characterization and structure determination of a new fluorogallophosphate (Mu-3) prepared in the presence of ethylene glycol as main solvent","Microporous and Mesoporous Materials","1998","22","1-3","43","55","10.1016/S1387-1811(98)00085-7","","","","","","","0.0576","","","0.0576","","","","","","","","","","","has coordinates","199775","2020-10-21","18:00:00",""
"2002126","9.6182","0.0011","9.6182","0.0011","7.8736","0.0023","90","","90","","120","","630.8","","","","","","","","","","","","","3","P 3","P 3","143","","Tetrastrontium dichromium chromium(IV) oxide","","- Cr3 O9 Sr4 -","- Cr3 O9 Sr4 -","- Cr9 O27 Sr12 -","3","1","","Cuno, E; Mueller-Buschbaum, Hk","ZUr Kenntnis eines gemischtvalenten Oxochromats(III,IV): Sr4 Cr3 O9","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","572","","175","180","10.1002/zaac.19895720121","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002161","5.141","0.01","5.141","0.01","5.218","0.01","90","","90","","120","","119.4","","","","","","","","","","","","","4","P 3","P 3","143","","Lanthanum titanium tellurium oxide","","- La O6 Te0.75 Ti1.25 -","- La O6 Te0.75 Ti1.25 -","- La O6 Te0.75 Ti1.25 -","1","0.333333","","Wulff, L; Mueller-Buschbaum, H","Synthese und Kristallstruktur des Lanthan-Titanat-Tellurats La Ti (Ti0.25 Te0.75) O6 und seine Verwandtschaft mit Pb Sb2 O6 und Sr (Mn Te) O6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","1998","53","","149","152","","","","","","","0.0473","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010630","11.415","0.004","11.415","0.004","8.0552","0.0008","90","","90","","120","","909","0.5","293","2","291","2","","","","","","","","7","P 3","P 3","143","","","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H48 Cl7 Co2 N12 Na O6 -","- C12 H48 Cl7 Co2 N12 Na O6 -","1","0.333333","KA1333","Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian","Redetermination of the double salt Λ-[tris(ethylenediamine)cobalt(III) trichloride]‒sodium chloride‒water (2/1/6)","Acta Crystallographica Section C","2000","56","2","149","151","10.1107/S0108270199013116","","","0.71073","MoKα","","0.047","0.047","","","","0.144","","","","","","1.198","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011309","19.0125","0.0008","19.0125","0.0008","10.4507","0.0007","90","","90","","120","","3271.6","0.3","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C54 H45 Cl Ni P3 -","- C54 H45 Cl Ni P3 -","- C162 H135 Cl3 Ni3 P9 -","3","1","FG1605","Ellis, Dianne D.; Spek, Anthony L.","Chlorobis(triphenylphosphine)nickel(I) tetrahydrofuran solvate and an unsolvated trigonal phase of chlorotris(triphenylphosphine)nickel(I)","Acta Crystallographica Section C","2000","56","9","1067","1070","10.1107/S0108270100008350","","","0.71073","MoKα","","0.0461","0.0307","","","","0.0662","","","","","","1.016","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2011660","5.31997","0.00014","5.31997","0.00014","9.5567","0.0003","90","","90","","120","","234.238","0.011","295","","295","","","","","","","","","3","P 3","P 3","143","Sodium Titanate","sodium titanate","","- Na4 O12 Ti5 -","- Na4 O12 Ti5 -","- Na4 O12 Ti5 -","1","0.333333","QD0006","Avdeev, Maxim; Kholkin, Andrei","Low-temperature Na~4~Ti~5~O~12~ from X-ray and neutron powder diffraction data","Acta Crystallographica Section C","2000","56","12","e539","e540","10.1107/S0108270100014839","","","1.54056","CuKα~1~","","","","","","","","","","5.37","","","","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2016713","15.5892","0.0005","15.5892","0.0005","5.6424","0.0003","90","","90","","120","","1187.52","0.08","110","1","110","1","","","","","","","","3","P 3","P 3","143","tripivaloylmethane","4-(2,2-dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione","","- C16 H28 O3 -","- C16 H28 O3 -","- C48 H84 O9 -","3","1","GD3228","Stilinović, Vladimir; Kaitner, Branko","Partial ordering of tripivaloylmethane at 110K","Acta Crystallographica Section C","2008","64","8","o450","o452","10.1107/S0108270108022129","","","0.71073","MoKα","","","0.0545","","","","0.1327","","","","","","1.114","","","","has coordinates,has Fobs","176760","2020-10-21","18:00:00",""
"2019308","7.496","0.001","7.496","0.001","5.256","0.0008","90","","90","","120","","255.77","0.06","296","2","296","2","","","","","","","","4","P 3","P 3","143","","<i>fac</i>-Triamminetrinitratorhodium(III)","","- H9 N6 O9 Rh -","- N6 O9 Rh -","- N6 O9 Rh -","1","0.333333","LG3133","Vasiliev, Alexander D.; Molokeev, Maxim S.; Baidina, Iraida A.; Belyaev, Anatoly V.; Vorob'eva, Sofiya N.","Arrangement of Rh^3+^ ions in <i>fac</i>-triamminetrichloridorhodium from powder data and in <i>fac</i>-triamminetrinitratorhodium crystals twinned by merohedry","Acta Crystallographica Section C","2013","69","12","1462","1466","10.1107/S010827011303076X","","","0.71073","MoKα","","0.0191","0.0191","","","0.0481","0.0481","","","","","","1.115","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2020218","17.07","","17.07","","7.515","","90","","90","","120","","1896.39","","","","","","","","","","","","","6","P 3","P 3","143","","(N H4)6 (Sb4 F12 (S O4)3)","","- F12 H24 N6 O12 S3 Sb4 -","- F12 H24 N6 O12 S3 Sb4 -","- F36 H72 N18 O36 S9 Sb12 -","3","1","","Waskowska, A.; Lis, T.","Structure of hexaammonium dodecafluorotrisulfato tetraantimonate(III) at 300K","Acta Crystallographica C (39,1983-)","1988","44","","1342","1345","","","","","","","","","","","","","","","","","","","","","","has coordinates","189064","2020-10-21","18:00:00",""
"2022130","12.7917","0.0014","12.7917","0.0014","5.8996","0.0006","90","","90","","120","","836.01","0.15","200","2","200","2","","","","","","","","4","P 3","P 3","143","3,5,7-Trinitro-1-azaadamantane","2,5,7-Trinitro-1-azatricyclo[3.3.1.13.7]decane","","- C9 H12 N4 O6 -","- C9 H12 N4 O6 -","- C27 H36 N12 O18 -","3","1","VP3006","Domasevitch, Kostiantyn V.; Senchyk, Ganna A.; Krautscheid, Harald","Bulk polarity of 3,5,7-trinitro-1-azaadamantane mediated by asymmetric NO~2~(lone pair)···NO~2~(π-hole) supramolecular bonding","Acta Crystallographica Section C","2020","76","6","","","10.1107/S2053229620006762","","","0.71073","MoKα","","0.0426","0.0321","","","0.0602","0.0632","","","","","","0.92","","","","has coordinates,has Fobs","252312","2020-10-21","18:00:00",""
"2100674","8.2033195","0.0000004","8.2033195","0.0000004","4.3941092","0.000001","90","","90","","120","","256.083","0.00006","273","","298","","","","","","","","","3","P 3","P 3","143","Gallium Arseniate","","","- As Ga O4 -","- As0.75 Ga0.75 Ge0.75 O4.5 -","- As3 Ga3 Ge3 O18 -","4","1.33333","AV5074","Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel","Structural characterization of a new high-pressure phase of GaAsO~4~","Acta Crystallographica Section B","2006","62","6","1019","1024","10.1107/S0108768106039760","","","","CuKα","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2101950","16.152","0.001","16.152","0.001","5.353","0.001","90","","90","","120","","1209.4","0.2","","","","","","","","","","","","3","P 3","P 3","","","","","- C16 H22 N6 -","- C17.3333 H23.3333 N6 -","- C52 H70 N18 -","3","1","NA0079","Ochando, L. E.; Rius, J.; Louër, D.; Claramunt, R. M.; Lopez, C.; Elguero, J.; Amigó, J. M.","Phase Transitions in Tris(3,5-dimethylpyrazol-1-yl)methane. The Structure of the High-Temperature Phase from X-ray Powder Diffraction","Acta Crystallographica Section B","1997","53","6","939","944","10.1107/S0108768197007830","","","1.5406","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","176768","2020-10-21","18:00:00",""
"2103731","20.983","0.0003","20.983","0.0003","7.621","0.0001","90","","90","","120","","2905.88","0.07","293","2","293","2","","","","","","","","4","P 3","P 3","143","","","","- C6 H11 N O -","- C6 H10.35 N O -","- C108 H186.3 N18 O18 -","18","6","NA0119","Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella","Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime","Acta Crystallographica Section B","2001","57","5","705","713","10.1107/S0108768101009624","","","0.7107","MoKα","","0.1006","0.0925","","","","0.27","","","","","","1.053","","","","has coordinates,has disorder","176768","2020-10-21","18:00:00",""
"2104666","10.22887","0.00001","10.22887","0.00001","10.66337","0.00002","90","","90","","120","","966.23","0.002","","","298","","","","","","","","","3","P 3","P 3","143","","","","- Ge9 O33 Pb15 -","- Ge9 O33 Pb15 -","- Ge9 O33 Pb15 -","1","0.333333","BK5091","Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.","Polysomatic apatites","Acta Crystallographica Section B","2010","66","1","1","16","10.1107/S0108768109053981","powder diffraction","neutron","","neutron","","","","","","","","","","1.43","","","","","","","has coordinates","199608","2020-10-21","18:00:00",""
"2104667","10.13385","0.00003","10.13385","0.00003","10.52045","0.00006","90","","90","","120","","935.651","0.007","","","298","","","","","","","","","5","P 3","P 3","143","","","","- Bi1.5 Ge9 Na1.5 O33 Pb12 -","- Bi1.807 Ge9 Na1.519 O33 Pb11.674 -","- Bi1.807 Ge9 Na1.519 O33 Pb11.674 -","1","0.333333","BK5091","Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.","Polysomatic apatites","Acta Crystallographica Section B","2010","66","1","1","16","10.1107/S0108768109053981","powder diffraction","neutron","","neutron","","","","","","","","","","2.35","","","","","","","has coordinates","199608","2020-10-21","18:00:00",""
"2104668","10.08745","0.00003","10.08745","0.00003","10.40506","0.00007","90","","90","","120","","916.934","0.007","","","298","","","","","","","","","5","P 3","P 3","143","","","","- Bi3 Ge9 Na3 O33 Pb9 -","- Bi3.007 Ge9 Na3.03 O33 Pb8.933 -","- Bi3.007 Ge9 Na3.03 O33 Pb8.933 -","1","0.333333","BK5091","Baikie, Tom; Pramana, Stevin S.; Ferraris, Cristiano; Huang, Yizhong; Kendrick, Emma; Knight, Kevin S.; Ahmad, Zahara; White, T. J.","Polysomatic apatites","Acta Crystallographica Section B","2010","66","1","1","16","10.1107/S0108768109053981","powder diffraction","neutron","","neutron","","","","","","","","","","2.5","","","","","","","has coordinates","199608","2020-10-21","18:00:00",""
"2108521","8.1905","0.0012","8.1905","0.0012","7.099","0.0014","90","","90","","120","","412.43","0.12","100","2","100","2","","","","","","","","5","P 3","P 3","143","hodgesmithite","","","- Cu6 H16 O21 S2 Zn -","- Cu6.76 H10 O21 S2 -","- Cu6.76 H10 O21 S2 -","1","0.333333","","Elliott, Peter","Hodgesmithite, (Cu,Zn)~6~Zn(SO~4~)~2~(OH)~10~·3H~2~O, a new copper zinc sulfate mineral with a unique, decorated, interrupted-sheet structure","Acta Crystallographica Section B","2019","75","6","","","10.1107/S205252061901343X","","","0.71073","MoKα","","0.0275","0.0272","","","0.0792","0.0797","","","","","","0.759","","","","has coordinates,has Fobs","227861","2020-10-21","18:00:00",""
"2200391","10.281","0.003","10.281","0.003","14.788","0.006","90","","90","","120","","1353.7","0.8","293","2","293","2","","","","","","","","5","P 3","P 3","143","Bis(DL-Methioninium)sulfate","Bis(DL-Methioninium)sulfate","","- C10 H24 N2 O8 S3 -","- C10 H24 N2 O8 S3 -","- C30 H72 N6 O24 S9 -","3","1","BT6061","N. Srinivasan; B. Sridhar; R. K. Rajaram","Bis(<small>DL</small>-methioninium) sulfate","Acta Crystallographica Section E","2001","57","8","o746","o748","10.1107/S1600536801012016","","","1.5418","CuKα","","0.054","0.0507","","","","0.1473","","","","","","1.09","","","","has coordinates,has disorder,has Fobs","176774","2020-10-21","18:00:00",""
"2226327","17.145","0.001","17.145","0.001","4.2527","0.0005","90","","90","","120","","1082.61","0.16","296","2","296","2","","","","","","","","3","P 3","P 3","143","Strontium tetraborate","strontium tetraborate","","- B4 O7 Sr -","- B4 O7 Sr -","- B36 O63 Sr9 -","9","3","WM2345","Vasiliev, Alexander D.; Cherepakhin, Alexander V.; Zaitsev, Alexander I.","The trigonal polymorph of strontium tetraborate, β-SrB~4~O~7~","Acta Crystallographica Section E","2010","66","6","i48","","10.1107/S1600536810019069","","","0.71073","MoKα","","0.0399","0.0304","","","0.0606","0.064","","","","","","0.849","","","","has coordinates,has Fobs","176435","2020-10-21","18:00:00",""
"2311858","16.4188","0.0005","16.4188","0.0005","8.8395","0.0003","90","","90","","120","","2063.67","0.11","100","2","100","2","","","","","","","","7","P 3","P 3","143","Mg-Valinomycin","Valinomycin hexaaquamagnesium bis(trifluoromethanesulfonate) trihydrate","","- C56 H108 F6 Mg N6 O33 S2 -","- C56 H102 F6 Mg N6 O30 S2 -","- C56 H102 F6 Mg N6 O30 S2 -","1","0.333333","QS3057","Fujita, Megumi; Kazerouni, Amaan M.; Bacsa, John","The structure of a valinomycin-hexaaquamagnesium trifluoromethanesulfonate compound.","Acta crystallographica. Section C, Structural chemistry","2016","72","Pt 8","627","633","10.1107/S2053229616010676","","","0.71073","MoKα","","0.0581","0.0469","","","0.1102","0.1201","","","","","","1.039","","","","has coordinates","246142","2020-10-21","18:00:00",""
"2312129","11.32","0.003","11.32","0.003","8.049","0.002","90","","90","","120","","893.2","0.4","120","2","120","2","","","","","","","","7","P 3","P 3","143","","Bis[tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III)] hexaaquasodium(I) heptachloride","","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","- C12 H60 Cl7 Co2 N12 Na O6 -","1","0.333333","ZO3032","Kollitz, Megan R.; Lappin, A. Graham; Oliver, Allen G.","Double-salt formation in crystal structures containing [Co(en)<sub>3</sub>]Cl<sub>3</sub>.","Acta crystallographica. Section C, Structural chemistry","2023","79","Pt 5","164","169","10.1107/S2053229623002711","","","0.71073","MoKα","","0.0237","0.0212","","","0.0371","0.0378","","","","","","0.995","","","","has coordinates,has Fobs","284363","2023-06-06","04:46:21",""
"3000455","5.05475","","5.05475","","38.8242","","90","","90","","120","","859.078","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","- C8 H6 Mg3 O6 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289147","2024-01-19","08:08:40",""
"3000457","5.05489","","5.05489","","38.844898","","90","","90","","120","","859.583","","0","","0","","0","","0","","","","","4","P 3","P 3","143","Brucite Graphene heterojunction","","","- C8 H6 Mg3 O6 -","- C8 H12 Mg9 O12 -","- C8 H12 Mg9 O12 -","1","0.333333","","Gianfranco Ulian; Giovanni Valdrè","Facile band gap tuning in graphene brucite heterojunctions","Scientific Reports","2023","13","","23090","","","","","","","","","","","","","","","","","","","","","","","has coordinates","289148","2024-01-19","08:09:33",""
"4001757","16.586","0.005","16.586","0.005","18.124","0.007","90","","90","","120","","4318","2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C31.67 H31.67 N4 Ni2 O12.67 -","- C31.6 H28.4 N4 Ni2 O12.6 -","- C94.8 H85.2 N12 Ni6 O37.8 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.2403","0.1172","","","0.2531","0.3168","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001758","16.634","0.002","16.634","0.002","18.194","0.004","90","","90","","120","","4359.7","1.2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C34 H28 N4 Ni2 O12 -","- C34 H26 N4 Ni2 O12 -","- C102 H78 N12 Ni6 O36 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.1403","0.0945","","","0.2337","0.27","","","","","","0.959","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002831","15.612","0.002","15.612","0.002","4.0168","0.0006","90","","90","","120","","847.9","0.2","295","2","295","2","","","","","","","","3","P 3","P 3","143","","","","- Bi13 I2 S18 -","- Bi13 I2 S18 -","- Bi13 I2 S18 -","1","0.333333","","Groom, Ryan; Jacobs, Allison; Cepeda, Marisa; Drummey, Rachel; Latturner, Susan E.","Bi13S18I2: (Re)discovery of a Subvalent Bismuth Compound Featuring [Bi2]4+ Dimers Grown in Sulfur/Iodine Flux Mixtures","Chemistry of Materials","2017","","","","","10.1021/acs.chemmater.7b00702","","","0.71073","MoKα","","0.0217","0.0196","","","0.0427","0.0434","","","","","","1.077","","","","has coordinates","198938","2020-10-21","18:00:00",""
"4036766","11.0527","0.0015","11.0527","0.0015","18.729","0.003","90","","90","","120","","1981.4","0.5","273","2","273","2","","","","","","","","4","P 3","P 3","143","","","","- C21.67 H36 Ho0 O17.67 -","- C21.6667 H36 O17.6667 -","- C65 H108 O53 -","3","1","","Maiti, Krishnagopal; Jayaraman, Narayanaswamy","Synthesis and Structure of Cyclic Trisaccharide with Expanded Glycosidic Linkages.","The Journal of organic chemistry","2016","81","11","4616","4622","10.1021/acs.joc.6b00462","","","0.71073","MoKα","","0.1307","0.1054","","","0.2822","0.301","","","","","","1.045","","","","has coordinates","235206","2020-10-21","18:00:00",""
"4108180","15.2582","0.0018","15.2582","0.0018","6.6579","0.0009","90","","90","","120","","1342.4","0.3","291","2","291","2","","","","","","","","6","P 3","P 3","143","","","","- C33 H66 Br8 Cu8 N6 O3 -","- C33 H66 Br8 Cu8 N6 O3 -","- C33 H66 Br8 Cu8 N6 O3 -","1","0.333333","","Wen Zhang; Ren-Gen Xiong; Songping D. Huang","3D Framework Containing Cu4Br4 Cubane as Connecting Node with Strong Ferroelectricity","Journal of the American Chemical Society","2008","130","","10468","10469","10.1021/ja803021v","","","0.71073","MoKα","","0.0601","0.0482","","","0.0956","0.098","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4110994","10.973","0.002","10.973","0.002","5.23","0.0019","90","","90","","120","","545.4","0.2","150","2","150","2","","","","","","","","6","P 3","P 3","143","","","","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O7.99 S6 -","- C12 H24 Ag Cl2 O7.99 S6 -","1","0.333333","","Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder","Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)","Journal of the American Chemical Society","2006","128","","13827","13839","10.1021/ja0636439","","","0.71073","MoKα","","0.0764","0.0723","","","0.17","0.1734","","","","","","1.202","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4110995","10.851","0.002","10.851","0.002","5.186","0.002","90","","90","","120","","528.8","0.2","30","2","30","2","","","","","","","","6","P 3","P 3","143","","","","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O8 S6 -","- C12 H24 Ag Cl2 O8 S6 -","1","0.333333","","Jennifer L. Shaw; Joanna Wolowska; David Collison; Judith A. K. Howard; Eric J. L. McInnes; Jonathan McMaster; Alexander J. Blake; Claire Wilson; Martin Schröder","Redox Non-innocence of Thioether Macrocycles: Elucidation of the Electronic Structures of Mononuclear Complexes of Gold(II) and Silver(II)","Journal of the American Chemical Society","2006","128","","13827","13839","10.1021/ja0636439","","","0.71073","MoKα","","0.0566","0.0406","","","0.0868","0.0916","","","","","","0.948","","","","has coordinates,has disorder","178880","2020-10-21","18:00:00",""
"4114583","12.277","0.002","12.2772","","9.321","0.002","90","","90","","120","","1216.7","0.3","296.2","","296.2","","","","","","","","","6","P 3","P 3","143","","","","- C18 H30.5 Cl1.5 Co N10 O4 -","- C18 H22.5 Cl1.5 Co0.333 N9.333 O3.666 -","- C36 H45 Cl3 Co0.666 N18.666 O7.332 -","2","0.666667","","Ikuko Katsuki; Yuri Motoda; Yukinari Sunatsuki; Naohide Matsumoto; Toshio Nakashima; Masaaki Kojima","Spontaneous Resolution Induced by Self-Organization of Chiral Self-Complementary Cobalt(III) Complexes with Achiral Tripod-Type Ligands Containing Three Imidazole Groups","Journal of the American Chemical Society","2002","124","","629","640","10.1021/ja0123960","","","0.7107","MoKα","","0.0549","0.055","","0.065","","0.065","","","1.141","","","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4115954","18.4189","0.001","18.4189","0.001","16.2309","0.0009","90","","90","","120","","4768.7","0.5","105","1","105","1","","","","","","","see text","7","P 3","P 3","143","","Λ‒Tris(2,2'-bibpyridyl)ruthenium(II)Δ‒Tris(2,2'-bibpyridyl)osmium(II) Tetra(hexafluorophosphate)","","- C180 H144 F72 N36 Os3 P12 Ru3 -","- C180 H144 F72 N36 Os3 P12 Ru3 -","- C180 H144 F72 N36 Os3 P12 Ru3 -","1","0.333333","","Josef Breu; Cornelius Kratzer; Hartmut Yersin","Crystal Engineering as a Tool for Directed Radiationless Energy Transfer in Layered {Λ-[Ru(bpy)3]Δ-[Os(bpy)3]}(PF6)4","Journal of the American Chemical Society","2000","122","","2548","2555","10.1021/ja993104m","","","0.71069","MoKα","","0.0299","0.0243","","","0.0503","0.0513","","","","","","0.947","","","","has coordinates","178930","2020-10-21","18:00:00",""
"4120480","24.075","0.002","24.075","0.002","10.7146","0.0012","90","","90","","120","","5378.2","0.9","100","2","100","","","","","","","","","4","P 3","P 3","143","","","","- C63.67 H79.33 Cl7.33 N12 -","- C60 H72 N12 -","- C180 H216 N36 -","3","1","","Hasell, Tom; Culshaw, Jamie L.; Chong, Samantha Y.; Schmidtmann, Marc; Little, Marc A.; Jelfs, Kim E.; Pyzer-Knapp, Edward O; Shepherd, Hilary; Adams, Dave J.; Day, Graeme M.; Cooper, Andrew I.","Controlling the crystallization of porous organic cages: molecular analogs of isoreticular frameworks using shape-specific directing solvents.","Journal of the American Chemical Society","2014","136","4","1438","1448","10.1021/ja409594s","","x-ray","0.71073","MoKα","","0.0859","0.0598","","","0.1688","0.1882","","","","","","0.946","","","","has coordinates,has disorder","178981","2020-10-21","18:00:00",""
"4130594","13.6489","0.0004","13.6489","0.0004","7.9023","0.0003","90","","90","","120","","1274.91","0.07","296","2","296","2","","","","","","","","6","P 3","P 3","143","[QT][GaBr4]","","","- C6 Br4 Cl2 Ga N2 S4 -","- C6 Br4 Cl2 Ga N2 S4 -","- C18 Br12 Cl6 Ga3 N6 S12 -","3","1","","Postulka, Lars; Winter, Stephen M.; Mihailov, Adam G.; Mailman, Aaron; Assoud, Abdeljalil; Robertson, Craig M.; Wolf, Bernd; Lang, Michael; Oakley, Richard T.","Spin Frustration in an Organic Radical Ion Salt Based on a Kagome-Coupled Chain Structure.","Journal of the American Chemical Society","2016","138","34","10738","10741","10.1021/jacs.6b05079","","","0.71073","MoKα","","0.0695","0.0436","","","0.079","0.0866","","","","","","1.105","","","","has coordinates","240994","2020-10-21","18:00:00",""
"4133032","13.5493","0.0016","13.5493","0.0016","9.484","0.003","90","","90","","120","","1507.8","0.5","10","2","10","2","","","","","","","","6","P 3","P 3","143","","","","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","0.71073","MoKα","","0.152","0.0715","","","0.1912","0.2391","","","","","","1.086","","","","has coordinates","242885","2020-10-21","18:00:00",""
"4133033","13.616","0.002","13.616","0.002","9.43","0.004","90","","90","","120","","1514.1","0.7","150.01","0.1","150.01","0.1","","","","","","","","6","P 3","P 3","143","","","","- C22 H67 Cl3 Fe2 N9 O41 -","- C22 H9 Cl3 Fe2 N9 O12 -","- C22 H9 Cl3 Fe2 N9 O12 -","1","0.333333","","Sahadevan, Suchithra Ashoka; Abhervé, Alexandre; Monni, Noemi; Sáenz de Pipaón, Cristina; Galán-Mascarós, José Ramón; Waerenborgh, João C; Vieira, Bruno J. C.; Auban-Senzier, Pascale; Pillet, Sébastien; Bendeif, El-Eulmi; Alemany, Pere; Canadell, Enric; Mercuri, Maria Laura; Avarvari, Narcis","Conducting Anilate-Based Mixed-Valence Fe(II)Fe(III) Coordination Polymer: Small-Polaron Hopping Model for Oxalate-Type Fe(II)Fe(III) 2D Networks.","Journal of the American Chemical Society","2018","140","39","12611","12621","10.1021/jacs.8b08032","","","1.54184","CuKα","","0.063","0.0396","","","0.1135","0.1258","","","","","","0.87","","","","has coordinates","242886","2020-10-21","18:00:00",""
"4133181","43.918","0.002","43.918","0.002","13.7792","0.0008","90","","90","","120","","23017","2","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C42 H66 Cl6 I0.84 N6 -","- C42 H66 Cl6 I0.84375 N6 -","- C672 H1056 Cl96 I13.5 N96 -","16","5.33333","","Chaix, Arnaud; Mouchaham, Georges; Shkurenko, Aleksander; Hoang, Phuong; Moosa, Basem; Bhatt, Prashant M.; Adil, Karim; Salama, Khaled N.; Eddaoudi, Mohamed; Khashab, Niveen M.","Trianglamine-Based Supramolecular Organic Framework with Permanent Intrinsic Porosity and Tunable Selectivity.","Journal of the American Chemical Society","2018","140","44","14571","14575","10.1021/jacs.8b08770","","","1.54178","CuKα","","0.2326","0.2189","","","0.4973","0.512","","","","","","2.383","","","","has coordinates,has disorder","243017","2020-10-21","18:00:00",""
"4133249","23.2294","0.0011","23.2294","0.0011","10.0567","0.0005","90","","90","","120","","4699.6","0.4","100","2","100","2","","","","","","","","2","P 3","P 3","143","","","","- C37 H52 -","- C37 H52 -","- C222 H312 -","6","2","","Rösel, Sören; Becker, Jonathan; Allen, Wesley D.; Schreiner, Peter R.","Probing the Delicate Balance between Pauli Repulsion and London Dispersion with Triphenylmethyl Derivatives.","Journal of the American Chemical Society","2018","140","43","14421","14432","10.1021/jacs.8b09145","","","1.54178","CuKα","","0.0967","0.0801","","","0.2068","0.221","","","","","","1.046","","","","has coordinates,has disorder","243081","2020-10-21","18:00:00",""
"4133704","19.1778","0.0012","19.1778","0.0012","9.8155","0.0008","90","","90","","120","","3126.4","0.4","100","2","100","2","","","","","","","","7","P 3","P 3","143","","","","- C42 H51 B F4 Fe N8 O -","- C42 H51 B F4 Fe N8 O -","- C126 H153 B3 F12 Fe3 N24 O3 -","3","1","","Keilwerth, Martin; Hohenberger, Johannes; Heinemann, Frank W.; Sutter, Jörg; Scheurer, Andreas; Fang, Huayi; Bill, Eckhard; Neese, Frank; Ye, Shengfa; Meyer, Karsten","A Series of Iron Nitrosyl Complexes {Fe-NO}<sup>6-9</sup> and a Fleeting {Fe-NO}<sup>10</sup> Intermediate en Route to a Metalacyclic Iron Nitrosoalkane.","Journal of the American Chemical Society","2019","141","43","17217","17235","10.1021/jacs.9b08053","","","0.71073","MoKα","","0.0472","0.0424","","","0.0955","0.0984","","","","","","1.021","","","","has coordinates","243422","2020-10-21","18:00:00",""
"4305618","15.966","0.002","15.966","0.002","9.36","0.0019","90","","90","","120","","2066.3","0.6","571","2","571","2","","","","","","","","6","P 3","P 3","143","","","","- C61 H69 Cr3 Mn3 N8 O36 -","- C61 H69 Cr3 Mn3 N8 O36 -","- C61 H69 Cr3 Mn3 N8 O36 -","1","0.333333","","Miguel Clemente-León; Eugenio Coronado; Joao C. Dias; Alejandra Soriano-Portillo; Roger D. Willett","Synthesis, Structure, and Magnetic Properties of [(S)-[PhCH(CH3)N(CH3)3]][Mn(CH3CN)2/3Cr(ox)3].(CH3CN)_(solvate), a 2D Chiral Magnet Containing a Quaternary Ammonium Chiral Cation","Inorganic Chemistry","2008","47","","6458","6463","10.1021/ic800597w","","","0.71073","MoKα","","0.1022","0.0655","","","0.1555","0.1693","","","","","","0.978","","","","has coordinates","179094","2020-10-21","18:00:00",""
"4309213","21.359","0.003","21.359","0.003","15.206","0.003","90","","90","","120","","6007.7","1.7","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C42 H79 Br8 In5 N6 -","- C42 H79 Br8 In5 N6 -","- C126 H237 Br24 In15 N18 -","3","1","","Marcus L. Cole; Cameron Jones; Marc Kloth","Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]-","Inorganic Chemistry","2005","44","","4909","4911","10.1021/ic050415r","","","0.71073","MoKα","","0.0908","0.0711","","","0.1724","0.1828","","","","","","1.086","","","","has coordinates,has disorder","179130","2020-10-21","18:00:00",""
"4311301","11.8047","0.0007","11.8047","0.0007","9.3705","0.0004","90","","90","","120","","1130.85","0.11","100","2","100","2","","","","","","","","6","P 3","P 3","143","","","","- C36 H45 B2 F8 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","1","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.71073","MoKα","","0.0311","0.0307","","","0.0702","0.0704","","","","","","1.104","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311302","11.9346","0.0009","11.9346","0.0009","9.4354","0.0006","90","","90","","120","","1163.88","0.14","220","2","220","2","","","","","","","","6","P 3","P 3","143","","","","- C36 H45 B2 F8 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","- C36 H45 B1.99 F7.96 Fe2 N20 -","1","0.333333","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.71073","MoKα","","0.0421","0.0412","","","0.108","0.1089","","","","","","1.06","","","","has coordinates,has disorder","179152","2020-10-21","18:00:00",""
"4311303","11.9678","0.0011","11.9678","0.0011","28.5739","0.0014","90","","90","","120","","3544.3","0.5","300","2","300","2","","","","","","","","6","P 3","P 3","143","","","","- C36 H45 B2 F8 Fe2 N20 -","- C36 H45 B2 F8 Fe2 N20 -","- C108 H135 B6 F24 Fe6 N60 -","3","1","","Yukinari Sunatsuki; Hiromi Ohta; Masaaki Kojima; Yuichi Ikuta; Yoshiyuki Goto; Naohide Matsumoto; Seiichiro Iijima; Haruo Akashi; Sumio Kaizaki; Françoise Dahan; Jean-Pierre Tuchagues","Supramolecular Spin-Crossover Iron Complexes Based on Imidazole-Imidazolate Hydrogen Bonds","Inorganic Chemistry","2004","43","","4154","4171","10.1021/ic0498384","","","0.71073","MoKα","","0.0539","0.043","","","0.1056","0.1104","","","","","","1.12","","","","has coordinates","179152","2020-10-21","18:00:00",""
"4311692","15.4413","0.0007","15.441","","7.6252","0.0003","90","","90","","120","","1574.49","0.09","296","2","296","2","","","","","","","","6","P 3","P 3","143","Ammonium ferrous titanium(IV)citrate","","","- C36 H71 Fe N5 O51 Ti2 -","- C36 H71 Fe N5 O51 Ti2 -","- C36 H71 Fe N5 O51 Ti2 -","1","0.333333","","Yuan-Fu Deng; Zhao-Hui Zhou; Hui-Lin Wan","pH-Dependent Isolations and Spectroscopic, Structural, and Thermal Studies of Titanium Citrate Complexes","Inorganic Chemistry","2004","43","","6266","6273","10.1021/ic0496018","","","0.71073","MoKα","","0.0617","0.0518","","","0.1244","0.1304","","","","","","0.989","","","","has coordinates","179155","2020-10-21","18:00:00",""
"4327202","22.3183","0.0002","22.3183","0.0002","13.2925","0.0001","90","","90","","120","","5734.02","0.08","153","","153","","","","","","","","","6","P 3","P 3","143","","","","- C48 Al6 N3 O117 Si3 W30 -","- C48 Al6 N3 O117 Si3 W30 -","- C48 Al6 N3 O117 Si3 W30 -","1","0.333333","","Yuji Kikukawa; Kazuya Yamaguchi; Mitsuhiro Hibino; Noritaka Mizuno","Layered Assemblies of a Dialuminum-Substituted Silicotungstate Trimer and the Reversible Interlayer Cation-Exchange Properties","Inorganic Chemistry","2011","50","","12411","12413","10.1021/ic2022648","","x-ray","0.71069","MoKα","","","0.0743","","","","0.2038","","","","","","1.086","","","","has coordinates","179375","2020-10-21","18:00:00",""
"4327258","12.339","0.004","12.339","0.004","9.339","0.003","90","","90","","120","","1231.4","0.7","293.1","","","","","","","","","","","6","P 3","P 3","143","","","","- C18 H30.5 Br1.5 Co N10 O4 -","- C18 H22.5 Br1.5 Co N10 O3.995 -","- C36 H45 Br3 Co2 N20 O7.99 -","2","0.666667","","Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto","Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups","Inorganic Chemistry","2007","46","","8170","8181","10.1021/ic070286+","","","0.71075","MoKα","","","0.0832","","","","0.2454","","","","","","1.086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327259","12.388","0.003","12.388","0.003","9.389","0.003","90","","90","","120","","1247.8","0.6","296.1","","","","","","","","","","","6","P 3","P 3","143","","","","- C18 H26.5 Co I1.5 N10 O2 -","- C18 H22.5 Co I1.5 N10 O1.995 -","- C36 H45 Co2 I3 N20 O3.99 -","2","0.666667","","Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto","Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups","Inorganic Chemistry","2007","46","","8170","8181","10.1021/ic070286+","","","0.71075","MoKα","","","0.0889","","","","0.2648","","","","","","1.141","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327260","12.254","0.004","12.254","0.004","9.299","0.002","90","","90","","120","","1209.3","0.6","296.1","","","","","","","","","","","7","P 3","P 3","143","","","","- C18 H27.5 B1.5 Co F6 N10 O2.5 -","- C18 H22.5 B1.505 Co F6.02 N10 O2.48 -","- C36 H45 B3.01 Co2 F12.04 N20 O4.96 -","2","0.666667","","Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto","Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups","Inorganic Chemistry","2007","46","","8170","8181","10.1021/ic070286+","","","0.71075","MoKα","","","0.0564","","","","0.1591","","","","","","1.116","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4327261","12.304","0.003","12.304","0.003","9.315","0.003","90","","90","","120","","1221.3","0.6","296.1","","","","","","","","","","","6","P 3","P 3","143","","","","- C18 H24.5 Cl1.5 Co N10 O7 -","- C18 H22.5 Cl1.505 Co N10 O7.015 -","- C36 H45 Cl3.01 Co2 N20 O14.03 -","2","0.666667","","Hirofumi Nakamura; Yukinari Sunatsuki; Masaaki Kojima; Naohide Matsumoto","Chiral Recognition and Conglomerate Crystallization Induced by Self-Organization of Cobalt(III) Complexes of a Tripodal Ligand Containing Three Imidazole Groups","Inorganic Chemistry","2007","46","","8170","8181","10.1021/ic070286+","","","0.71075","MoKα","","","0.0506","","","","0.1425","","","","","","1.118","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4330509","12.6987","0.0014","12.6987","0.0014","11.4114","0.0013","90","","90","","120","","1593.6","0.3","100","2","100","2","","","","","","","","7","P 3","P 3","143","","","","- C67 H73 Co3 F6 N6 O0.5 P4 -","- C67.04 H73.05 Co3 F5.94 N6 O0.51 P3.99 -","- C67.04 H73.05 Co3 F5.94 N6 O0.51 P3.99 -","1","0.333333","","Alison R. Fout; Dianne J. Xiao; Qinliang Zhao; T. David Harris; Evan R. King; Emily V. Eames; Shao-Liang Zheng; Theodore A. Betley","Trigonal Mn3 and Co3 Clusters Supported by Weak-Field Ligands: A Structural, Spectroscopic, Magnetic, and Computational Investigation into the Correlation of Molecular and Electronic Structure","Inorganic Chemistry","2012","51","","10290","10299","10.1021/ic301278m","","","0.71073","MoKα","","0.0277","0.0265","","","0.0718","0.0725","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4334696","23.97","0.004","23.97","0.004","6.6297","0.0011","90","","90","","120","","3298.8","1","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosine-k2N,S)cobalt(III)] dinitrate dihydrate","","- C30 H43 Co N17 O17 S3 -","- C30 H43 Co N17 O17 S3 -","- C90 H129 Co3 N51 O51 S9 -","3","1","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","0.6889","synchrotron","","0.1166","0.1022","","","0.2615","0.2785","","","","","","1.163","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4334697","18.815","0.005","18.815","0.005","6.5787","0.0018","90","","90","","120","","2016.9","0.9","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosinato-k2N,S)cobalt(III)] sesquihydrate","","- C30 H39 Co N15 O13.5 S3 -","- C30 H39 Co N15 O13.5 S3 -","- C60 H78 Co2 N30 O27 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","0.6889","synchrotron","","0.0717","0.0557","","","0.1542","0.1655","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4334698","19.225","0.003","19.225","0.003","6.618","0.002","90","","90","","120","","2118.3","0.8","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[bis(6-thioguanosine-k2N,S)(6-thioguanosinato-k2N,S)cobalt(III)] sulphate trihydrate","","- C30 H42 Co N15 O19 S4 -","- C30 Co N15 O12 S3 -","- C60 Co2 N30 O24 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Félix Zamora","Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","5290","5299","10.1021/ic400237h","","","0.702","synchrotron","","0.2203","0.1769","","","0.4291","0.4687","","","","","","1.711","","","","has coordinates","179449","2020-10-21","18:00:00",""
"4335305","23.97","0.004","23.97","0.004","6.6297","0.0011","90","","90","","120","","3298.8","1","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosine-k2N,S)cobalt(III)] dinitrate dihydrate","","- C30 H43 Co N17 O17 S3 -","- C30 H43 Co N17 O17 S3 -","- C90 H129 Co3 N51 O51 S9 -","3","1","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","0.6889","synchrotron","","0.1166","0.1022","","","0.2615","0.2785","","","","","","1.163","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335306","18.815","0.005","18.815","0.005","6.5787","0.0018","90","","90","","120","","2016.9","0.9","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[tris(6-thioguanosinato-k2N,S)cobalt(III)] sesquihydrate","","- C30 H39 Co N15 O13.5 S3 -","- C30 H39 Co N15 O13.5 S3 -","- C60 H78 Co2 N30 O27 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","0.6889","synchrotron","","0.0717","0.0557","","","0.1542","0.1655","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4335307","19.225","0.003","19.225","0.003","6.618","0.002","90","","90","","120","","2118.3","0.8","120","2","120","2","","","","","","","","6","P 3","P 3","143","","[bis(6-thioguanosine-k2N,S)(6-thioguanosinato-k2N,S)cobalt(III)] sulphate trihydrate","","- C30 H42 Co N15 O19 S4 -","- C30 Co N15 O12 S3 -","- C60 Co2 N30 O24 S6 -","2","0.666667","","Pilar Amo-Ochoa; Simone S. Alexandre; Samira Hribesh; Miguel A. Galindo; Oscar Castillo; Carlos J. Gómez-García; Andrew R. Pike; José M. Soler; Andrew Houlton; Ross W. Harrington; William Clegg; Félix Zamora","Correction to Coordination Chemistry of 6-Thioguanine Derivatives with Cobalt: Toward Formation of Electrical Conductive One-Dimensional Coordination Polymers","Inorganic Chemistry","2013","52","","7306","7306","10.1021/ic401300u","","","0.702","synchrotron","","0.2203","0.1769","","","0.4291","0.4687","","","","","","1.711","","","","has coordinates","179456","2020-10-21","18:00:00",""
"4335635","17.7914","0.0008","17.7914","0.0008","10.9016","0.0006","90","","90","","120","","2988.4","0.3","150","2","150","2","","","","","","","","5","P 3","P 3","143","beta-Formamidinium_Lead_Iodide","","","- C H5 I3 N2 Pb -","- C I3 N2.0025 Pb -","- C12 I36 N24.03 Pb12 -","12","4","","Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis","Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties","Inorganic Chemistry","2013","52","","9019","9038","10.1021/ic401215x","","","0.71073","MoKα","","0.178","0.0656","","","0.1584","0.2133","","","","","","0.839","","","","has coordinates","179459","2020-10-21","18:00:00",""
"4335883","13.7991","0.0002","13.7991","0.0002","9.0281","0.0003","90","","90","","120","","1488.77","0.06","130","2","130","2","","","","","","","","7","P 3","P 3","143","","","","- C54 H29 Cl6 Cr Mn N6 O14 -","- C54 H28.998 Cl6 Cr Mn N6 O14 -","- C54 H28.998 Cl6 Cr Mn N6 O14 -","1","0.333333","","Matteo Atzori; Samia Benmansour; Guillermo Mínguez Espallargas; Miguel Clemente-León; Alexandre Abhervé; Patricia Gómez-Claramunt; Eugenio Coronado; Flavia Artizzu; Elisa Sessini; Paola Deplano; Angela Serpe; Maria Laura Mercuri; Carlos J. Gómez García","A Family of Layered Chiral Porous Magnets Exhibiting Tunable Ordering Temperatures","Inorganic Chemistry","2013","52","","10031","10040","10.1021/ic4013284","","","0.71073","MoKα","","0.0687","0.0559","","","0.162","0.1763","","","","","","1.11","","","","has coordinates,has disorder","179461","2020-10-21","18:00:00",""
"4344212","13.29","","13.29","","8.981","","90","","90","","120","","1373.74","","","","","","","","","","","","","3","P 3","P 3","143","","Ir4 (C O)12","","- C12 Ir3.93357 O12 -","- C12 Ir3.93357 O12 -","- C36 Ir11.8007 O36 -","3","1","","Churchill, M.R.; Hutchinson, J.L.","Crystal structure of tetrairidium dodecacarbonyl, Ir4 (C O)12. An unpleasant case of disorder","Inorganic Chemistry","1978","17","","3528","3535","","","","","","","","","","","","","","","","","","","","","","has coordinates","161032","2020-10-21","18:00:00",""
"4344772","13.1327","0.0008","13.1327","0.0008","7.8434","0.0005","90","","90","","120","","1171.5","0.13","293","2","293","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0482","0.048","","","0.1222","0.1223","","","","","","1.293","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344773","13.1187","0.0007","13.1187","0.0007","7.8357","0.0004","90","","90","","120","","1167.86","0.11","243","2","243","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0464","0.0462","","","0.1197","0.1198","","","","","","1.341","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344774","13.106","0.0007","13.106","0.0007","7.829","0.0004","90","","90","","120","","1164.6","0.11","193","2","193","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0442","0.044","","","0.112","0.1121","","","","","","1.284","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344775","13.0947","0.0007","13.0947","0.0007","7.8233","0.0004","90","","90","","120","","1161.75","0.11","143","2","143","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0429","0.0428","","","0.1123","0.1124","","","","","","1.319","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344776","13.0899","0.0007","13.0899","0.0007","7.8212","0.0004","90","","90","","120","","1160.58","0.11","93","2","93","2","","","","","","","","7","P 3","P 3","143","","","","- C10 H11.33 Cr0.33 K Mn2 N4 O8.67 -","- C10 H10 Cr0.333333 K Mn2 N4 O8.66667 -","- C30 H30 Cr K3 Mn6 N12 O26 -","3","1","","Li, Li; Nishihara, Sadafumi; Inoue, Katsuya; Kurmoo, Mohamedally","Synthesis, Crystal Structure, and Magnetic Properties of a Chiral Cyanide-Bridged Bimetallic Framework K3[Mn(II)(l-asp)]6[Cr(III)(CN)6]·2H2O.","Inorganic chemistry","2015","55","1","300","","10.1021/acs.inorgchem.5b02399","","","0.71073","MoKα","","0.0428","0.0427","","","0.112","0.112","","","","","","1.318","","","","has coordinates,has disorder","175631","2020-10-21","18:00:00",""
"4344806","9.4129","0.0007","9.4129","0.0007","6.1506","0.0004","90","","90","","120","","471.95","0.06","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 Co N18 O4 -","- C6 H18 Cl2 Co N18 O4 -","- C6 H18 Cl2 Co N18 O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0323","0.0284","","","0.0629","0.0656","","","","","","1.061","","","","has coordinates","175641","2020-10-21","18:00:00",""
"4344807","9.5156","0.0002","9.5156","0.0002","6.1577","0.0003","90","","90","","120","","482.86","0.03","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 Mn N18 O4 -","- C6 H18 Cl2 Mn N18 O4 -","- C6 H18 Cl2 Mn N18 O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0176","0.0174","","","0.0446","0.0447","","","","","","1.033","","","","has coordinates","175642","2020-10-21","18:00:00",""
"4344809","9.3258","0.0004","9.3258","0.0004","6.0815","0.0002","90","","90","","120","","458.05","0.03","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 N18 Ni O4 -","- C6 H18 Cl2 N18 Ni O4 -","- C6 H18 Cl2 N18 Ni O4 -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0439","0.0357","","","0.0792","0.0829","","","","","","1.008","","","","has coordinates","175644","2020-10-21","18:00:00",""
"4344810","9.454","0.0009","9.454","0.0009","6.1473","0.0011","90","","90","","120","","475.82","0.11","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C6 H18 Cl2 N18 O4 Zn -","- C6 H18 Cl2 N18 O4 Zn -","- C6 H18 Cl2 N18 O4 Zn -","1","0.333333","","Xu, Caixia; Zhang, Jianguo; Yin, Xin; Cheng, Zhenxuan","Structural Diversity and Properties of M(II) Coordination Compounds Constructed by 3-Hydrazino-4-amino-1,2,4-triazole Dihydrochloride as Starting Material.","Inorganic chemistry","2015","55","1","322","","10.1021/acs.inorgchem.5b02434","","","0.71073","MoKα","","0.0152","0.0151","","","0.0383","0.0383","","","","","","1.122","","","","has coordinates","175645","2020-10-21","18:00:00",""
"4350584","24.496","0.001","24.496","0.001","10.4042","0.0005","90","","90","","120","","5406.7","0.4","161.1","","","","","","","","","","","7","P 3","P 3","143","","","","- C66 H75 Cu3 F9 N9 O9 S3 -","- C66 H75 Cu3 F9 N9 O9 S3 -","- C198 H225 Cu9 F27 N27 O27 S9 -","3","1","","Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu","Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.","Inorganic chemistry","2006","45","26","10825","10835","10.1021/ic061509j","","","0.71075","MoKα","","","0.0435","","","","0.0479","","","","","","0.978","","","","has coordinates","239951","2020-10-21","18:00:00",""
"4502234","11.6534","0.0003","11.6534","0.0003","13.7499","0.0005","90","","90","","120","","1617.09","0.08","293","2","293","2","","","","","","","","6","P 3","P 3","143","","","","- C14.67 H13 Cd N0.33 O7.33 S -","- C14.67 H8 Cd N0.333333 O7.33333 S -","- C44.01 H24 Cd3 N O22 S3 -","3","1","","Lin, Jian-Di; Long, Xi-Fa; Lin, Ping; Du, Shao-Wu","A Series of Cation-Templated, Polycarboxylate-Based Cd(II) or Cd(II)/Li(I) Frameworks with Second-Order Nonlinear Optical and Ferroelectric Properties","Crystal Growth & Design","2010","10","1","146","","10.1021/cg9007476","","","0.71073","MoKα","","0.0394","0.039","","","0.1097","0.1104","","","","","","1.045","","","","has coordinates","179553","2020-10-21","18:00:00",""
"4514873","15.378","0.003","15.378","0.003","5.9449","0.0015","90","","90","","120","","1217.5","0.5","100","2","100","2","","","","","","","","3","P 3","P 3","143","","","","- C18 H28 O2 -","- C18 H28 O2 -","- C54 H84 O6 -","3","1","","Yang, Junfeng; Sun, Qiao; Yoshikai, Naohiko","Cobalt-Catalyzed Regio- and Diastereoselective Formal [3 + 2] Cycloaddition between Cyclopropanols and Allenes","ACS Catalysis","2019","9","3","1973","","10.1021/acscatal.8b05114","","","0.71073","MoKα","","0.1388","0.0963","","","0.222","0.2477","","","","","","1.075","","","","has coordinates,has disorder","220031","2020-10-21","18:00:00",""
"4516924","27.389","0.002","27.389","0.002","9.7549","0.0007","90","","90","","120","","6337.3","0.8","100","2","100","2","","","","","","","","5","P 3","P 3","143","","","","- C80 H120 N18 O16 S -","- C79.998 H119.995 N18 O16 S -","- C239.994 H359.985 N54 O48 S3 -","3","1","","Portis, Bobby; Mirchi, Ali; Emami Khansari, Maryam; Pramanik, Avijit; Johnson, Corey R.; Powell, Douglas R.; Leszczynski, Jerzy; Hossain, Md Alamgir","An Ideal <i>C</i><sub>3</sub>-Symmetric Sulfate Complex: Molecular Recognition of Oxoanions by <i>m</i>-Nitrophenyl- and Pentafluorophenyl-Functionalized Hexaurea Receptors.","ACS omega","2017","2","9","5840","5849","10.1021/acsomega.7b01115","","","0.71073","MoKα","","0.1024","0.071","","","0.1798","0.2007","","","","","","1.007","","","","has coordinates,has disorder","288505","2023-12-22","15:12:03",""
"4519320","40.2698","0.001","40.2698","0.001","23.9273","0.001","90","","90","","120","","33603.4","1.8","275","","275","","","","","","","","","4","P 3","P 3","143","","","","- C138 Nd6 O64 Yb6 -","- C138 Nd6 O64 Yb6 -","- C414 Nd18 O192 Yb18 -","3","1","","Sava Gallis, Dorina F.; Butler, Kimberly S.; Pearce, Charles J.; Valdez, Nichole; Rodriguez, Mark A.","Programmable Photoluminescence via Intrinsic and DNA-Fluorophore Association in a Mixed Cluster Heterometallic MOF.","ACS applied materials & interfaces","2022","14","8","10566","10576","10.1021/acsami.1c24477","","","1.54178","CuKα","","0.1833","0.1084","","","0.3154","0.3743","","","","","","1.204","","","","has coordinates,has disorder","273230","2022-03-03","19:53:02",""
"7004238","38.2173","0.0002","38.2173","0.0002","10.39625","0.00008","90","","90","","120","","13150","0.14","173","2","173","2","","","","","","","","6","P 3","P 3","143","","","","- C66 H55 B N6 P3 Tl -","- C66 H55 B N6 P3 Tl -","- C594 H495 B9 N54 P27 Tl9 -","9","3","","Kealey, Steven; Long, Nicholas J.; Miller, Philip W.; White, Andrew J. P.; Gee, Antony D.","ScorpoPhos: a novel phosphine-nitrogen ligand containing a tris(pyrazolyl)borate ligand core","Dalton Transactions","2008","","20","2677","2679","10.1039/b804608p","","","0.71073","MoKα","","0.0551","0.0371","","","0.0633","0.0696","","","","","","1.016","","","","has coordinates","179746","2020-10-21","18:00:00",""
"7005758","17.44","0.006","17.44","0.006","7.085","0.003","90","","90","","120","","1866.2","1.2","293","","293","","","","","","","","","5","P 3","P 3","143","(Co(N-acetyl-(+)-pseudoephedrine)!2$).2H!2$O","[Co(N-acetyl-(+)-pseudoephedrine)~2~].2H~2~O","","- C24 H36 Co N2 O8 -","- C24 H36 Co N2 O8 -","- C72 H108 Co3 N6 O24 -","3","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","","0.71073","MoKα","","0.0598","0.0339","","0.0498","0.038","0.038","","","","","","1.091","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7005763","17.611","0.012","17.611","0.012","7.158","0.006","90","","90","","120","","1923","2","293","","293","","","","","","","","","5","P 3","P 3","143","(Ni(N-acetyl-(+)-pseudoephedrine)!2$).2H!2$O","[Ni(N-acetyl-(+)-pseudoephedrine)~2~].2H~2~O","","- C24 H36 N2 Ni O8 -","- C24 H36 N2 Ni O8 -","- C72 H108 N6 Ni3 O24 -","3","1","","Vargas-Díaz, Gabriela; López-Sandoval, Horacio; Vázquez-Palma, Adriana B.; Flores-Alamo, Marcos; Peña-Hueso, Adrián; Sánchez-Ruíz, Sonia A.; Flores-Parra, Angelina; Contreras, Rosalinda; Barba-Behrens, Norah","Stereochemistry of optically active nickel(ii) and cobalt(ii) coordination compounds derived from N-acetyl aminoalcohols","Dalton Transactions","2007","","37","4185","","10.1039/b705195f","","","0.71073","MoKα","","0.0738","0.031","","0.0607","0.0346","0.0346","","","","","","1.0815","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7008344","19.7013","0.0002","19.7013","0.0002","8.8318","0.0002","90","","90","","120","","2968.72","0.08","150","2","150","2","","","","","","","","4","P 3","P 3","143","","","","- C18 H56 Ga7 N13 -","- C18 H56 Ga7 N13 -","- C54 H168 Ga21 N39 -","3","1","","Cowley, Andrew R.; Downs, Anthony J.; Himmel, Hans-Jorg; Marchant, Sarah; Parsons, Simon; Yeoman, Justin A.","1,1,3,3-Tetramethylguanidine-gallane, (Me2N)2CN(H).GaH3: an unusually strongly bound gallane adduct.","Dalton transactions (Cambridge, England : 2003)","2005","","9","1591","1597","10.1039/b501818h","","","0.71073","MoKα","","0.0661","0.0638","","","0.1623","0.1643","","","","","","1.165","","","","has coordinates","179787","2020-10-21","18:00:00",""
"7011303","29.2594","0.0005","29.2594","0.0005","19.9252","0.0002","90","","90","","120","","14772.8","0.4","293","2","293","2","","","","","","","","6","P 3","P 3","143","","","","- C168 H161.67 Cl8 N28 O36.33 Zn4 -","- C168 H161.67 Cl8 N28 O36.3333 Zn4 -","- C504 H485.01 Cl24 N84 O109 Zn12 -","3","1","","Cheng He; Le-Yong Wang; Zhe-Ming Wang; Yuan Liu; Chun-Sheng Liao; Chun-Hua Yan","Self-assembly of tetrahedral M4L6 clusters from a new rigid ligand","J. Chem. Soc., Dalton Trans.","2002","","2","134","135","10.1039/b110200a","","","0.71073","MoKα","","0.0878","0.0698","","","0.1895","0.2033","","","","","","1.059","","","","has coordinates,has disorder","179817","2020-10-21","18:00:00",""
"7011304","29.2162","0.0005","29.2162","0.0005","19.9678","0.0004","90","","90","","120","","14760.7","0.5","293","2","293","2","","","","","","","","6","P 3","P 3","143","","","","- C169.33 H163.33 Cl8 Cu4 N26 O37.33 -","- C169.34 H163.35 Cl8 Cu4 N26 O37.33 -","- C508.02 H490.05 Cl24 Cu12 N78 O111.99 -","3","1","","Cheng He; Le-Yong Wang; Zhe-Ming Wang; Yuan Liu; Chun-Sheng Liao; Chun-Hua Yan","Self-assembly of tetrahedral M4L6 clusters from a new rigid ligand","J. Chem. Soc., Dalton Trans.","2002","","2","134","135","10.1039/b110200a","","","0.71073","MoKα","","0.1366","0.0844","","","0.2075","0.2365","","","","","","1.032","","","","has coordinates,has disorder","179817","2020-10-21","18:00:00",""
"7018900","18.3517","0.0003","18.3517","0.0003","14.035","0.0004","90","","90","","120","","4093.51","0.15","180","2","180","2","","","","","","","","7","P 3","P 3","143","","","","- C42 H52 Cu2 Li2 N2 O4 P2 -","- C42 H52 Cu2 Li2 N2 O4 P2 -","- C126 H156 Cu6 Li6 N6 O12 P6 -","3","1","","Harford, Philip J.; Haywood, Joanna; Smith, Matthew R.; Bhawal, Benjamin N.; Raithby, Paul R.; Uchiyama, Masanobu; Wheatley, Andrew E. H.","Expanding the tools available for direct ortho cupration ‒ targeting lithium phosphidocuprates","Dalton Transactions","2012","41","20","6148","","10.1039/c2dt12415g","","","0.71073","MoKα","","0.0865","0.069","","","0.1894","0.1984","","","","","","1.066","","","","has coordinates,has disorder","179893","2020-10-21","18:00:00",""
"7025149","19.567","0.005","19.567","0.005","35.123","0.013","90","","90","","120","","11646","6","200","2","200","2","","","","","","","","8","P 3","P 3","143","","","","- C231 H332 F6 Fe4 N49 Ni6 O41 P -","- C199.985 H168 F6 Fe4 N49 Ni6 P -","- C399.97 H336 F12 Fe8 N98 Ni12 P2 -","2","0.666667","","Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki","Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages","Dalton Transactions","2010","39","20","4730","","10.1039/b925399h","","","0.71073","MoKα","","0.1489","0.0809","","","0.1749","0.1976","","","","","","0.869","","","","has coordinates,has disorder","179956","2020-10-21","18:00:00",""
"7025150","19.574","0.003","19.574","0.003","35.075","0.009","90","","90","","120","","11638","4","200","2","200","2","","","","","","","","8","P 3","P 3","143","","","","- C233 H340 F6 Fe4 N49 Ni6 O43 P -","- C199.98 H168 F6 Fe4 N49 Ni6 P -","- C399.96 H336 F12 Fe8 N98 Ni12 P2 -","2","0.666667","","Shiga, Takuya; Newton, Graham N.; Mathieson, Jennifer S.; Tetsuka, Tamaki; Nihei, Masayuki; Cronin, Leroy; Oshio, Hiroki","Ferromagnetically coupled chiral cyanide-bridged {Ni6Fe4} cages","Dalton Transactions","2010","39","20","4730","","10.1039/b925399h","","","0.71073","MoKα","","0.1577","0.0684","","","0.1346","0.1556","","","","","","0.775","","","","has coordinates,has disorder","179956","2020-10-21","18:00:00",""
"7031956","19.106","0.003","19.106","0.003","11.496","0.002","90","","90","","120","","3634.3","1","293","2","293","2","","","","","","","","5","P 3","P 3","143","","","","- C52 H41 N9 O9 Zn2 -","- C52 H41 N9 O9 Zn2 -","- C156 H123 N27 O27 Zn6 -","3","1","","Wang, Yue; Qi, Yan; Blatov, Vladislav A.; Zheng, Jimin; Li, Qun; Zhang, Chao","Two new zinc(ii) coordination complexes with helix characteristics showing both interpenetration and self-catenation features: a platform for the synthesis of chiral and catenated structures assembled by length-modulated dicarboxylates.","Dalton transactions (Cambridge, England : 2003)","2014","43","40","15151","15158","10.1039/c4dt01431f","","","0.71073","MoKα","","0.1601","0.073","","","0.138","0.171","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7035333","26.2992","0.0004","26.2992","0.0004","19.8472","0.0005","90","","90","","120","","11888.2","0.4","173","2","173","2","","","","","","","","7","P 3","P 3","143","","","","- C181.75 H183 Cl9.5 N24.5 Ni4 O32 S12 -","- C181.75 H182.985 Cl9.5 N24.5 Ni4 O32 S12 -","- C363.5 H365.97 Cl19 N49 Ni8 O64 S24 -","2","0.666667","","Tsang, Chui-Shan; Chen, Lingjing; Li, Lu-Wei; Yiu, Shek-Man; Lau, Tai-Chu; Kwong, Hoi-Lun","Metallosupramolecular Ni2L3 and Ni4L6 complexes of bis-bidentate pyridine-containing ligands: X-ray structures and catalytic proton reduction.","Dalton transactions (Cambridge, England : 2003)","2015","44","29","13087","13092","10.1039/c5dt01706h","","","1.54184","CUKα","","0.0623","0.0553","","","0.148","0.1527","","","","","","1.006","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7043986","17.975","0.0014","17.975","0.0014","8.8636","0.0004","90","","90","","120","","2480.2","0.3","100","0.1","100","0.1","","","","","","","","5","P 3","P 3","143","","","","- C45 H53 Cd2 N7 O18 -","- C45 H53 Cd2 N7 O18 -","- C45 H53 Cd2 N7 O18 -","1","0.333333","","Cao, Li-Hui; Li, Hai-Yang; Xu, Hong; Wei, Yong-Li; Zang, Shuang-Quan","Diverse dissolution-recrystallization structural transformations and sequential Förster resonance energy transfer behavior of a luminescent porous Cd-MOF","Dalton Transactions","2017","46","35","11656","11663","10.1039/c7dt02697h","","","0.71073","MoKα","","0.0705","0.0524","","","0.0921","0.0978","","","","","","1.001","","","","has coordinates","218748","2020-10-21","18:00:00",""
"7051387","16.058","0.002","16.058","0.002","10.286","0.002","90","","90","","120","","2297","0.6","298","2","298","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H38 Cl3.33 Fe0.33 Mg2.33 O8 -","- C21 H38 Cl4.66667 Fe0.666667 Mg2.33333 O8 -","- C63 H114 Cl14 Fe2 Mg7 O24 -","3","1","","","","New Journal of Chemistry","1999","","","","","10.1039/a807745b","","","","","","","0.0666","","","0.1726","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"7100528","13.1879","0.0002","13.1879","0.0002","5.9291","0.0001","90","","90","","120","","893.04","0.02","293","2","293","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Gd N3 O15 -","- C21 H9 Co Gd N3 O15 -","- C21 H9 Co Gd N3 O15 -","1","0.333333","","Srinivasan Natarajan; Giridhar Madras; Partha Mahata; Gopinathan Sankar","A Porous Sheet 4f-3d Mixed-Metal Pyridine Dicarboxylate: Synthesis, Structure, Photophysical Properties and its Transformation to a Perovskite Oxide","Chemical Communications","2005","","","","","10.1039/b509588c","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7102073","14.3387","0.0003","14.3387","0.0003","20.4479","0.0008","90","","90","","120","","3640.82","0.18","180","2","180","2","","","","","","","","5","P 3","P 3","143","","","","- C19.25 H18.25 Br Cl0.75 N -","- C19.25 H18.25 Br Cl0.75 N -","- C154 H146 Br8 Cl6 N8 -","8","2.66667","","Bond, Andrew D; Jørgensen, Wendie H; Pløger, Jane M","Hydrogen-bonded cubanes and ladder fragments by analogy with the inorganic solid state.","Chemical communications (Cambridge, England)","2007","","31","3273","3275","10.1039/b706422e","","","0.71073","MoKα","","0.0734","0.063","","","0.1778","0.1833","","","","","","1.036","","","","has coordinates","180122","2020-10-21","18:00:00",""
"7103978","33.5211","0.001","33.5211","0.001","11.3015","0.0005","90","","90","","120","","10997.7","0.7","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C49 H33 N6 Ni3 O18 -","- C49 H33 N6 Ni3 O18 -","- C147 H99 N18 Ni9 O54 -","3","1","","Prior, T. J.; Bradshaw, D.; Teat, S. J.; Rosseinsky, M. J.","Designed layer assembly: a three-dimensional framework with 74% extra-framework volume by connection of infinite two-dimensional sheets","Chemical Communications (Cambridge, United Kingdom)","2003","","4","500","501","10.1039/b211124c","","","0.6867","Synchrotron","","0.1608","0.1469","","","0.3414","0.3591","","","","","","1.328","","","","has coordinates","210650","2020-10-21","18:00:00",""
"7115117","16.63","0.05","16.62","0.09","16.01","0.03","90","","90","","120","","3832","2","293","2","293","2","","","","","","","","4","P 3","P 3","143","","","","- C56 H56 N12 O15 -","- C53 H51 N11 O15 -","- C159 H153 N33 O45 -","3","1","","Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.","The first D‒π‒A octupolar cryptand molecule to exhibit bulk non-linearity","Chemical Communications","2000","","18","1815","","10.1039/b004679p","","","0.71073","MoKα","","0.1122","0.0457","","","0.1027","0.1459","","","","","","1.289","","","","has coordinates","180265","2020-10-21","18:00:00",""
"7115468","25.2558","0.0011","25.2558","0.0011","11.0068","0.0005","90","","90","","120","","6080.1","0.5","100","2","100","2","","","","","","","","3","P 3","P 3","143","cage3R","","","- C72 H84 N27 -","- C72 H84 N27 -","- C216 H252 N81 -","3","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.0777","0.0642","","","0.1723","0.185","","","","","","1.028","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115469","25.1483","0.0015","25.1483","0.0015","11.0268","0.0007","90","","90","","120","","6039.5","0.6","300","2","300","2","","","","","","","","3","P 3","P 3","143","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C216 H252 N36 -","3","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.0959","0.0689","","","0.1683","0.1884","","","","","","1.065","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7115470","25.2084","0.0015","25.2084","0.0015","11.0674","0.0007","90","","90","","120","","6090.7","0.6","400","2","400","2","","","","","","","","3","P 3","P 3","143","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C216 H252 N36 -","3","1","","Marc A. Little; Samantha Y. Chong; Marc Schmidtmann; Tom Hasell; Andrew I. Cooper","Guest control of structure in porous organic cages","Chem.Commun.","2014","50","","9465","","10.1039/C4cc04158E","","","0.71073","MoKα","","0.0985","0.0576","","","0.1383","0.1637","","","","","","1.019","","","","has coordinates","180268","2020-10-21","18:00:00",""
"7119591","25.444","0.002","25.444","0.002","5.2862","0.0006","90","","90","","120","","2963.8","0.5","100","2","100","2","","","","","","","","5","P 3","P 3","143","dg_inp_benzamin2","dg_inp_benzamin2","","- C45 H48 In N3 O6 -","- C45 H48 In N3 O6 -","- C135 H144 In3 N9 O18 -","3","1","","Gary, Dylan C.; Petrone, Alessio; Li, Xiaosong; Cossairt, Brandi M.","Investigating the role of amine in InP nanocrystal synthesis: destabilizing cluster intermediates by Z-type ligand displacement.","Chemical communications (Cambridge, England)","2016","53","1","161","164","10.1039/c6cc07952k","","","0.71073","MoKα","","0.1216","0.0829","","","0.156","0.1725","","","","","","1.024","","","","has coordinates","191435","2020-10-21","18:00:00",""
"7204416","16.63","0.05","16.63","0.06","16","0.03","90","","90","","120","","3832","19","293","","293","","","","","","","","synthesized","4","P 3","P 3","143","","","","- C158 H158 N34 O45 -","- C53 H52 N11 O15 -","- C159 H156 N33 O45 -","3","1","","Mukhopadhyay, Pritam; Bharadwaj, Parimal K.; Savitha, G.; Krishnan, Anu; Das, Puspendu K.","A new class of three dimensional D-π-A trigonal cryptand derivatives for second-order nonlinear optics","Journal of Materials Chemistry","2002","12","8","2237","","10.1039/b202770b","","","0.71073","MoK-alpha","","0.113","0.066","","0.109","0.065","","","","2.903","2.321","2.321","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7209765","13.593","0.0011","13.593","0.0011","7.1406","0.0011","90","","90","","120","","1142.6","0.2","299","2","299","2","","","","","","","","6","P 3","P 3","143","","","","- C3 H12 Bi Cl3 N6 S3 -","- C3 H12 Bi Cl3 N6 S3 -","- C9 H36 Bi3 Cl9 N18 S9 -","3","1","","Li, Ming; Li, R. K.","Crystal growth and characterization of a new polymorph of bismuth trithiourea chloride","CrystEngComm","2013","15","20","4176","","10.1039/c3ce40121a","","","0.71075","MoKα","","0.0672","0.0481","","","0.0703","0.0765","","","","","","1.111","","","","has coordinates","180428","2020-10-21","18:00:00",""
"7220293","13.135","0.001","13.135","0.001","5.8794","0.0012","90","","90","","120","","878.5","0.2","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","- C21 H15 Co Dy N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0228","0.0227","","","0.057","0.057","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220294","13.0601","0.0003","13.0601","0.0003","5.8637","0.0003","90","","90","","120","","866.15","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","- C21 H15 Co Ho N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0297","0.0291","","","0.0581","0.0583","","","","","","1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220295","13.0479","0.0003","13.0479","0.0003","5.8596","0.0002","90","","90","","120","","863.93","0.04","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","- C21 H15 Co Er N3 O15 -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0304","0.0299","","","0.0606","0.0609","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7220296","13.0373","0.0003","13.0373","0.0003","5.8491","0.0003","90","","90","","120","","860.98","0.05","296","2","296","2","","","","","","","","6","P 3","P 3","143","","","","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","- C21 H15 Co N3 O15 Tm -","1","0.333333","","Yang, Ting-Hai; Silva, Ana Rosa; Shi, Fa-Nian","Two dimensional porous 3d‒4f heterometallic coordination polymers constructed by pyridine-2,3-dicarboxylic acid","CrystEngComm","2015","17","20","3852","","10.1039/C5CE00009B","","","0.71073","MoKα","","0.0336","0.0329","","","0.0666","0.0669","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7222827","8.7287","","8.7287","","5.476","","90","","90","","120","","361.321","","","","","","","","","","","","","3","P 3","P 3","143","","Na2 (S2 O3)","","- Na2 O3 S2 -","- Na1.9998 O3 S2 -","- Na5.9994 O9 S6 -","3","1","","von Benda, H.; von Benda, K.","Zur Polymorphie des Na2 S2 O3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","165279","2020-10-21","18:00:00",""
"7223432","14.014","0.002","14.014","0.002","6.475","0.001","90","","90","","120","","1101.3","0.3","293","2","293","2","","","","","","","-","5","P 3","P 3","143","","o-vanillylidene-D-Penicillamine","","- C13.33 H17.33 N O4.33 S -","- C13.33 H15 N O4.33 S -","- C39.99 H45 N3 O12.99 S3 -","3","1","","Balakrishnan, C.; M, Theetharappan; Natarajan, Satheesh; S, Thalamuthu; M A, Neelakantan","Fluorescence response of a thiazolidine carboxylic acid derivative for the selective and nanomolar detection of Zn(II) ions: quantum chemical calculations and application in real samples","RSC Adv.","2015","","","","","10.1039/C5RA21277D","","","0.71073","MoKα","","0.0542","0.0458","","","0.1072","0.1132","","","","","","1.046","","","","has coordinates,has disorder","171402","2020-10-21","18:00:00",""
"7229527","21.411","0.003","21.411","0.003","9.737","0.0013","90","","90","","120","","3865.7","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.33 H63.33 N2 O8.33 -","- C56.3333 H62 N2 O8.33333 -","- C169 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0496","0.044","","","0.1186","0.1232","","","","","","1.055","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229530","21.4358","0.0015","21.4358","0.0015","9.708","0.0007","90","","90","","120","","3863.1","0.5","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H63 N2.33 O8 -","- C56.6667 H62 N2.33333 O8 -","- C170 H186 N7 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0396","0.0363","","","0.0945","0.0968","","","","","","1.044","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229531","21.4114","0.0018","21.4114","0.0018","9.799","0.0008","90","","90","","120","","3890.5","0.6","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56.67 H64 N2 O8.33 -","- C56.6666 H62 N2 O8.33333 -","- C170 H186 N6 O25 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0492","0.046","","","0.1246","0.1282","","","","","","1.05","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7229532","21.43","0.003","21.43","0.003","9.6863","0.0013","90","","90","","120","","3852.4","0.9","123","2","123","2","","","","","","","","4","P 3","P 3","143","","","","- C56 H62 N2 O8 -","- C56 H62 N2 O8 -","- C168 H186 N6 O24 -","3","1","","Yamasaki, Yutaro; Sekiya, Ryo; Haino, Takeharu","Hexameric assembly of 5,17-di-substituted calix[4]arene in the solid state","CrystEngComm","2017","","","","","10.1039/C7CE01515A","","x-ray","0.71073","MoKα","","0.0418","0.037","","","0.092","0.0955","","","","","","1.062","","","","has coordinates,has disorder","202937","2020-10-21","18:00:00",""
"7233401","19.109","0.002","19.109","0.002","8.6482","0.0011","90","","90","","120","","2734.8","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H70 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","- C90 H57 Gd2 N18 O25 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.0337","0.0281","","","0.073","0.0752","","","","","","1.079","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7233402","19.1877","0.0019","19.1877","0.0019","8.5095","0.0009","90","","90","","120","","2713.2","0.5","120","2","120","2","","","","","","","","5","P 3","P 3","143","","","","- C90 H90 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","- C90 H57 Dy2 N18 O28 -","1","0.333333","","Bhattacharya, Sudeshna; Bala, Sukhen; Mondal, Raju","Ln-MOFs using a compartmental ligand with a unique combination of hard‒soft terminals and their magnetic, gas adsorption and luminescence properties","CrystEngComm","2019","21","37","5665","","10.1039/C9CE01026B","","","0.71073","MoKα","","0.1479","0.0728","","","0.1506","0.1859","","","","","","0.997","","","","has coordinates","223501","2020-10-21","18:00:00",""
"7234364","31.59","0.005","31.59","0.005","18.32","0.004","90","","90","","120","","15833","5","100","2","100","2","","","","","","","","6","P 3","P 3","143","","","","- C188 H180 B8 F32 Fe4 N52 -","- C170.5 H153.75 B7.5 F30 Fe4 N43.25 -","- C511.5 H461.25 B22.5 F90 Fe12 N129.75 -","3","1","","Li Li; Naoto Saigo; Yingjie Zhang; Daniel J. Fanna; Nicholas D. Shepherd; Jack K. Clegg; Rongkun Zheng; Shinya Hayami; Leonard F. Lindoy; Janice R. Aldrich-Wright; Chun-Guang Li; Jason K. Reynolds; David G. Harman; Feng Li","A large spin-crossover [Fe4L4]8+ tetrahedral cage","Journal of Materials Chemistry C","2015","3","","7878","7882","10.1039/C5TC00991J","","","0.7108","silicondoublecrystalmonocromatedsynchrotron","","0.1038","0.0961","","","0.2485","0.258","","","","","","1.077","","","","has coordinates,has disorder","219092","2020-10-21","18:00:00",""
"7237154","26.0992","0.0004","26.0992","0.0004","9.2584","0.0002","90","","90","","120","","5461.61","0.17","150","2","150","2","","","","","","","","5","P 3","P 3","143","","","","- C48 H36 Cu4 N12 O12 -","- C48 H36 Cu4 N12 O12 -","- C144 H108 Cu12 N36 O36 -","3","1","","Li, Ziyin; Ye, Yingxiang; Yao, Zizhu; Guo, Junzhi; Lin, Quanjie; Zhang, Jindan; Zhang, Zhangjing; Wei, Fangfang; Xiang, Shengchang","An antiferromagnetic metalloring pyrazolate (Pz) framework with [Cu12(μ2-OH)12(Pz)12] nodes for separation of C2H2/CH4 mixture","Journal of Materials Chemistry A","2018","6","40","19681","","10.1039/C8TA04498H","","","1.54178","CuKα","","0.0594","0.0402","","","0.0802","0.0862","","","","","","0.834","","","","has coordinates","237456","2020-10-21","18:00:00",""
"7237560","26.526","0.002","26.526","0.002","11.595","0.002","90","","90","","120","","7065.5","1.4","293","2","293","2","","","","","","","","7","P 3","P 3","143","","","","- C264 H289 Mn6 N42 O43 P Ru6 -","- C264 H289 Mn6 N42 O43 P Ru6 -","- C264 H289 Mn6 N42 O43 P Ru6 -","1","0.333333","","Zhang, Daopeng; Cano, Joan; Lan, Wenlong; Liu, Hui; Sun, Fenggang; Dong, Yunhui; Zhou, Zhen; Yang, Lu; Liu, Qingyun; Jiang, Jianzhuang","Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and systematic theoretical magnetism investigation","Journal of Materials Chemistry C","2019","7","12","3623","","10.1039/C8TC05650A","","","0.71073","MoKα","","0.1197","0.0687","","","0.1585","0.2055","","","","","","1.027","","","","has coordinates","237771","2020-10-21","18:00:00",""
"7707868","17.252","0.0006","17.252","0.0006","8.2626","0.0003","90","","90","","120","","2129.74","0.13","88","2","88","2","","","","","","","","6","P 3","P 3","143","","","","- C44 H49 Fe N5 O3.5 P3 -","- C43.9998 H45 Fe N5 O3.5 P3 -","- C87.9996 H90 Fe2 N10 O7 P6 -","2","0.666667","","Sun, Chen; Oswald, Victoria F.; Hill, Ethan A.; Ziller, Joseph W.; Borovik, A. S.","Investigation of iron-ammine and amido complexes within a C<sub>3</sub>-symmetrical phosphinic amido tripodal ligand.","Dalton transactions (Cambridge, England : 2003)","2021","50","32","11197","11205","10.1039/d1dt01032h","","","0.71073","MoKα","","0.024","0.0237","","","0.0626","0.063","","","","","","1.05","","","","has coordinates","268741","2021-09-06","11:05:25",""
"7713468","24.4385","0.0011","24.4385","0.0011","11.3928","0.0006","90","","90","","120","","5892.6","0.5","105","1","105","1","","","","","","","","5","P 3","P 3","143","","","","- C80.33 H76.67 Cl7.67 Co2 N15 -","- C80.3335 H76.6668 Cl7.6667 Co2 N15 -","- C241.001 H230 Cl23.0001 Co6 N45 -","3","1","","Mikhailenko, Maxim V.; Ivanov, Vladislav V.; Shestakov, Alexander F.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Magnetic behavior and ground spin states for coordination {L.[M(II)(Hal)2]3}(3-) assemblies (Hal = Cl or I) of radical trianion hexacyanohexaazatriphenylenes (L) with three coordinated high-spin Fe(II) (S = 2) or Co(II) (S = 3/2) centers","Dalton Transactions","2023","","","","","10.1039/D3DT01571H","","x-ray","0.71073","MoKα","","0.1507","0.0888","","","0.2155","0.2616","","","","","","1.028","","","","has coordinates,has disorder","285208","2023-07-13","23:02:10",""
"7713919","7.8764","0.001","7.8764","0.001","5.5355","0.0007","90","","90","","120","","297.4","0.07","273","2","273","2","","","","","","","","4","P 3","P 3","143","","","","- B2 O17 P3 Pu -","- B2 O17 P3 Pu -","- B2 O17 P3 Pu -","1","0.333333","","Sigmon, Ginger; DiBlasi, Nicole Ann; Hixon, Amy","The Crystal Chemistry of Plutonium(IV) Borophosphate","Dalton Transactions","2023","","","","","10.1039/D3DT00747B","","","0.71073","MoKα","","0.0181","0.0181","","","0.0446","0.0446","","","","","","1.085","","","","has coordinates","286271","2023-09-07","23:00:35",""
"7714594","12.444","0.0005","12.444","0.0005","20.0425","0.0011","90","","90","","120","","2687.8","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P 3","P 3","143","","","","- C102 H108 Cl13 Fe5 N12 -","- C102 H108 Cl13 Fe5 N12 -","- C102 H108 Cl13 Fe5 N12 -","1","0.333333","","Yousuf, Nighat; Ma, Yanping; Mahmood, Qaiser; Zhang, Wenjuan; Wang, Yizhou; Saeed, Hassan; Sun, Wen-Hua","Enhancing isoprene polymerization with high activity and adjustable monomer enchainment using cyclooctyl-fused iminopyridine iron precatalysts.","Dalton transactions (Cambridge, England : 2003)","2024","53","2","753","764","10.1039/d3dt03674j","","x-ray","1.54184","CuKα","","0.0679","0.0502","","","0.135","0.145","","","","","","1.102","","","","has coordinates,has disorder","289517","2024-02-04","12:00:38",""
"8101262","7.95419","0.00006","7.95419","0.00006","7.3613","0.00001","90","","90","","120","","403.345","0.001","295","2","295","2","","","","","","","","4","P 3","P 3","143","Cr2BP3O12","","","- B2 Cr4 O24 P6 -","- B Cr2 O12 P3 -","- B2 Cr4 O24 P6 -","2","0.666667","","Mi, Jin-Xiao; Zhao, Jing-Tai; Mao, Shao-Yu; Huang, Ya-Xi; Engelhardt, Holger; Kniep, Rüdiger","Crystal structure of dichromium monoborotriphosphate, Cr~2~[BP~3~O~12~]","Zeitschrift für Kristallographie - New Crystal Structures","2000","215","2","201","202","10.1515/ncrs-2000-0205","powder diffraction","","","","","","","","","","","","0.0488","","","","","","","","has coordinates","209540","2020-10-21","18:00:00",""
"9000916","10.67","","10.67","","4.68","","90","","90","","120","","461.429","","","","","","","","","","","","","6","P 3","P 3","143","","","Cappelenite-(Y)","- B6 Ba F2 O24 Si3 Y6 -","- B6 Ba F2 O24 Si3 Y6 -","- B6 Ba F2 O24 Si3 Y6 -","1","0.333333","","Shen, J.; Moore, P. B.","Crystal structure of cappelenite, Ba(Y,RE)6[Si3B6O24]F2: a silicoborate sheet structure","American Mineralogist","1984","69","","190","195","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001785","16.06","","16.06","","9.792","","90","","90","","120","","2187.22","","","","","","","","","","","","","3","P 3","P 3","143","","","Bottinoite","- Ni O18 Sb2 -","- H24 Ni O18 Sb2 -","- H144 Ni6 O108 Sb12 -","6","2","","Bonazzi, P.; Mazzi, F.","Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BS2, synthetic Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.","American Mineralogist","1996","81","","1494","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001786","16.045","","16.045","","9.784","","90","","90","","120","","2181.36","","","","","","","","","","","","Bottino mine, Apuan Alps, Italy","3","P 3","P 3","143","","","Bottinoite","- Ni O18 Sb2 -","- H24 Ni O18 Sb2 -","- H144 Ni6 O108 Sb12 -","6","2","","Bonazzi, P.; Mazzi, F.","Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond model Sample: BN1, natural Locality: Bottino mine, Apuan Alps, Italy Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.","American Mineralogist","1996","81","","1494","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9001890","8.319","","8.319","","7.377","","90","","90","","120","","442.133","","","","","","","","","","","","","5","P 3","P 3","143","","","Bechererite","- H12 O23 S Si Zn8 -","- H12 O23 S Si Zn8 -","- H12 O23 S Si Zn8 -","1","0.333333","","Hoffmann, C.; Armbruster, T.; Giester, G.","The acentric structure (P3) of bechererite, Zn7Cu(OH)13[SiO(OH)3SO4] Note U(1,2) for Zn2, Zn21, and O1 changed to match symmetry constraints.","American Mineralogist","1997","82","","1014","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002181","11.2469","","11.2469","","4.4851","","90","","90","","120","","491.325","","","","","","","","","","","","","3","P 3","P 3","143","","","BaSi4O9","- Ba O9 Si4 -","- Ba O9 Si4 -","- Ba3 O27 Si12 -","3","1","","Hazen, R. M.; Yang, H.; Finger, L. W.; Fursenko, B. A.","Crystal chemistry of high-pressure BaSi4O9 in the trigonal (P3) barium tetragermanate structure","American Mineralogist","1999","84","","987","989","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002342","16.119","","16.119","","9.868","","90","","90","","120","","2220.42","","","","","","","","","","","","","4","P 3","P 3","143","","","Brandholzite","- H24 Mg O18 Sb2 -","- H24 Mg O18 Sb2 -","- H144 Mg6 O108 Sb12 -","6","2","","Friedrich, A.; Wildner, M.; Tillmanns, E.; Merz, P. L.","Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co)","American Mineralogist","2000","85","","593","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002343","16.105","","16.105","","9.851","","90","","90","","120","","2212.75","","","","","","","","","","","","","3","P 3","P 3","143","","","","- Co O18 Sb2 -","- Co H24 O18 Sb2 -","- Co6 H144 O108 Sb12 -","6","2","","Friedrich, A.; Wildner, M.; Tillmanns, E.; Merz, P. L.","Crystal chemistry of the new mineral brandholzite, Mg(H2O)6[Sb(OH)6]2, and of the synthetic analogues M(H2O)6[Sb(OH)6]2 (Me=Mg,Co)","American Mineralogist","2000","85","","593","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:42",""
"9002701","7.02","","7.02","","6.992","","90","","90","","120","","298.405","","","","","","","","","","","","","4","P 3","P 3","143","","","Becquerelite","- H9 O14 Sr1.27 U3 -","- H9 O14 Sr1.27 U3 -","- H9 O14 Sr1.27 U3 -","1","0.333333","","Burns, P. C.; Li, Y.","The structures of becquerelite and Sr-exchanged becquerelite put occ in tables Sample: Sr-exchanged becquerelite","American Mineralogist","2002","87","","550","557","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9002900","16.105","","16.105","","9.851","","90","","90","","120","","2212.75","","","","","","","","","","","","","3","P 3","P 3","143","","","","- Co O18 Sb2 -","- Co H24 O18 Sb2 -","- Co6 H144 O108 Sb12 -","6","2","","Friedrich, A.; Mazzi, F.; Wildner, M.; Tillmanns, E.","Isotypism of Co(H2O)6[Sb(OH)6]2 with brandholzite and bottinoite","American Mineralogist","2003","88","","462","463","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:30",""
"9003815","9.077","","9.077","","11.611","","90","","90","","120","","828.486","","","","355.15","","","","","","","","","4","P 3","P 3","143","","","Susannite","- C2 O12 Pb4 S -","- C2 O12 Pb4 S -","- C6 O36 Pb12 S3 -","3","1","","Bindi, L.; Menchetti, S.","Structural changes accompanying the phase transformation between leadhillite and susannite: a structural study by means of in situ high-temperature single- crystal X-ray diffraction Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran Sample: T = 82C","American Mineralogist","2005","90","","1641","1647","10.2138/am.2005.1808","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004255","7.381","","7.381","","4.516","","90","","90","","120","","213.066","","","","","","","","","","","","","4","P 3","P 3","143","","","Simpsonite","- Al4 H O14 Ta3 -","- Al4 H O14 Ta3 -","- Al4 H O14 Ta3 -","1","0.333333","","Ercit, T. S.; Cerny, P.; Hawthorne, F. C.","The crystal chemistry of simpsonite","The Canadian Mineralogist","1992","30","","663","671","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004969","10.824","","10.824","","7.549","","90","","90","","120","","765.942","","","","","","","","","","","","Searle Canyon, Thomas Range, Utah, USA","5","P 3","P 3","143","","","Holfertite","- Ca0.75 H11.17 O32.46 Ti3 U5.31 -","- Ca0.75 H19.96 O32.46 Ti3 U5.31 -","- Ca0.75 H19.96 O32.46 Ti3 U5.31 -","1","0.333333","","Sokolova, E.; Hawthorne, F. C.; Belakovskiy, D. I.; Pautov, L. A.","The OD (order-disorder) structure of holfertite, a hydrated uranyl titanate mineral from Searle Canyon, Thomas Range, Utah, USA","The Canadian Mineralogist","2005","43","","1545","1552","10.2113/gscanmin.43.5.1545","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005394","9.0718","","9.0718","","11.57","","90","","90","","120","","824.614","","","","","","","","","","","","Leadhills, Scotland","5","P 3","P 3","143","","","Susannite","- C2 H2 O12 Pb4 S -","- C2 H2 O12 Pb4 S -","- C6 H6 O36 Pb12 S3 -","3","1","","Steele, I. M.; Pluth, J. J.; Livingstone, A.","Crystal structure of susannite, Pb4SO4(CO3)2(OH)2: a trimorph with macphersonite and leadhillite","European Journal of Mineralogy","1999","11","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:18",""
"9009259","4.434","","4.434","","5.334","","90","","90","","120","","90.819","","","","","","","","","","","","","4","P 3","P 3","143","","","Berborite","- B Be2 H3 O5 -","- B Be2 H3 O5 -","- B Be2 H3 O5 -","1","0.333333","","Giuseppetti, G.; Mazzi, F.; Tadini, C.; Larsen, A. O.; Asheim, A.; Raade, G.","Berborite polytypes Locality: Saga I larvikite quarry, Morje, Porgrunn, Tvelan District, Norway Sample: 1T polytype Note: anisoU's from ICSD","Neues Jahrbuch fur Mineralogie, Abhandlungen","1990","162","","101","116","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:30",""
"9009329","8.1518","","8.1518","","4.8091","","90","","90","","120","","276.759","","","","","","","","","","","","Franciscan Complex, Pennsylvania mine, Santa Clara County,","5","P 3","P 3","143","","","Franciscanite","- H3 Mn3 O7 Si V0.5 -","- H3 Mn3 O7 Si V0.5 -","- H6 Mn6 O14 Si2 V -","2","0.666667","","Pertlik, F.","The crystal structure of franciscanite, Mn3(Vx_1-x)(SiO4)(O,OH)3,(x ~ 0.5) California, USA","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","1986","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009505","6.375","","6.375","","8.399","","90","","90","","120","","295.61","","","","","","","","","","","","Main Tolbachik Fracture Eruption of Kamchatka","4","P 3","P 3","143","","","Averievite","- Cl2 Cu6.01 O10 V2 -","- Cl2 Cu6.01 O10 V2 -","- Cl2 Cu6.01 O10 V2 -","1","0.333333","","Starova, G. L.; Krivovichev, S. V.; Fundamensky, V. S.; Filatov, S. K.","The crystal structure of averievite, Cu5O2(VO4)2*nMX: comparison with related compounds Note: Coordinates for O6 added to the dataset by Krivovichev Aug 2005","Mineralogical Magazine","1997","61","","441","446","10.1180/minmag.1997.061.406.09","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009983","4.2579","","4.2579","","5.2149","","90","","90","","120","","81.878","","","","","","","","","","","","","2","P 3","P 3","143","","","","- Ni Ti0.875 -","- Ni Ti0.875 -","- Ni9 Ti7.875 -","9","3","","Sitepu, H.; Wright, J. P.; Hansen, T.; Chateigner, D.; Brokmeier, H. G.; Ritter, C.; Ohba, T.","Combined synchrotron and neutron structural refinement of R-phase in Ti50.75Ni47.75Fe1.50 shape memory alloy","Materials Science Forum","2005","495","","255","260","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9011952","9.575","","9.575","","18.17","","90","","90","","120","","1442.66","","","","","","","","","","","","Sierra Gorda, Chile","8","P 3","P 3","143","","","Metavoltine","- Cu0.3 Fe6.6 H36 K2 Na6 O68 S12 Zn0.1 -","- Cu0.3 Fe6.6 H36 K2 Na6 O68 S12 Zn0.1 -","- Cu0.3 Fe6.6 H36 K2 Na6 O68 S12 Zn0.1 -","1","0.333333","","Giacovazzo, C.; Scordari, F.; Todisco, A.; Menchetti, S.","Crystal structure model for metavoltine from Sierra Gorda","Tschermaks Mineralogische und Petrographische Mitteilungen","1976","23","","155","166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012620","10.035","","10.035","","7.499","","90","","90","","120","","653.986","","","","","","","","","","","","metamorphic rocks, Kombat region, Namibia","4","P 3","P 3","143","","","Jaffeite","- Ca6 H6 O13 Si2 -","- Ca6 H6 O13 Si2 -","- Ca12 H12 O26 Si4 -","2","0.666667","","Yamnova, N. A.; Sarp, K.; Egorov-Tismenko Y K; Pushcharovskii, D. Y.","Crystal structure of jaffeite","Crystallography Reports","1993","38","","464","467","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012761","2.955","","2.955","","9.37","","90","","90","","120","","70.857","","","","","","","","","","","","Synthetic","3","P 3","P 3","143","","","Ferrihydrite","- Fe0.48 H0.56 O -","- Fe0.48 O -","- Fe0.96 O2 -","2","0.666667","","Jansen, E.; Kyek, A.; Schafer, W.; Schwertmann, U.","The structure of six-line ferrihydrite Sample: defective refinement","Applied Physics A","2002","74","","S1004","S1006","10.1007/s003390101175","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012775","5.541","","5.541","","7.02","","90","","90","","120","","186.657","","","","","","","","","","","","","8","P 3","P 3","143","","","Bario-olgite","- Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -","- Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -","- Ba0.94 Ca0.04 Ce0.18 K0.06 Na2.12 O8 P2 Sr0.66 -","1","0.333333","","Pekov, I. V.; Chukanov, N. V.; Kulikova, I. M.; Zubkova, N. V.; Krotova, O. D.; Sorokina, N. I.; Pushcharovsky, D. Y.","New mineral bario-olgite, Ba(Na,Sr,REE)2Na[PO4]2 and its crystal structure","Zapiski Vserossijskogo Mineralogicheskogo Obshchestva","2004","133","","41","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9013194","13.56","","13.56","","10.004","","90","","90","","120","","1593.03","","","","","","","","","","","","Kelyana deposit, Buryatia, Russia","5","P 3","P 3","143","","","Kelyanite","- Br Cl2 Hg12 O6 Sb -","- Br Cl2 Hg12 O6 Sb -","- Br3 Cl6 Hg36 O18 Sb3 -","3","1","","Pervukhina, N. V.; Borisov, S. V.; Magarill, S. A.; Naumov, D. Y.; Vasilev, V. I.","The crystal structure of kelyanite (Hg2)6(SbO6)BrCl2","American Mineralogist","2008","93","","1666","1669","10.2138/am.2008.2876","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014915","12.913","","12.913","","79.605","","90","","90","","120","","11495.4","","","","","","","","","","","","Biachella Valley, near Sacrofano Caldera, Italy","9","P 3","P 3","143","","","Biachellaite","- Al90 Ca36 Cl3 H12 K9 Na21 O470 S26 Si90 -","- Al90 Ca35.9999 Cl3 H12 K9 Na21 O470 S26 Si90 -","- Al90 Ca35.9999 Cl3 H12 K9 Na21 O470 S26 Si90 -","1","0.333333","","Rastsvetaeva, R. K.; Chukanov, N. V.","Model of the crystal structure of biachellaite as a new 30-layer member of the cancrinite group","Crystallography Reports","2008","53","","981","988","10.1134/S1063774508060114","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:46",""
"9016540","9.937","","9.937","","7.004","","90","","90","","120","","598.946","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P 3","P 3","143","","","Laurentianite","- H18 Na2.76 Nb3 O26 Si4 -","- H18 Na2.76 Nb3 O26 Si4 -","- H18 Na2.76 Nb3 O26 Si4 -","1","0.333333","","Haring, M. M. M.; McDonald, A. M.; Cooper, M. A.; Poirier, G. A.","Laurentianite, [NbO(H2O)]3(Si2O7)2[Na(H2O)2]3, a new mineral from Mont Saint-Hilaire, Quebec: description, crystal-structure determination and paragenesis","The Canadian Mineralogist","2012","50","","1265","1280","10.3749/canmin.50.5.1265","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""