# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T01:09:22+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'F -4 3 c' 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
"1008914","12.097","0.001","12.097","0.001","12.097","0.001","90","","90","","90","","1770.2","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Magnesium boron oxide sulfide (3/7/12.7/0.9)","","- B7 Mg3 O12.65 S0.85 -","- B7 Mg3 O12.65 S0.85 -","- B56 Mg24 O101.2 S6.8 -","8","0.0833333","","Fouassier, C; Levasseur, A; Joubert, J C; Muller, J; Hagenmueller, P","Les systemes B2 O3 - MO - MS boracites M-S (M= Mg, Mn, Fe, Cd) et sodalites M-S (M= Co, Zn)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1970","375","","202","208","10.1002/zaac.19703750210","","","","","","0.14","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1011284","12.1","","12.1","","12.1","","90","","90","","90","","1771.6","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Magnesium borate chloride *","Boracite","- B14 Cl2 Mg6 O26 -","- B14 Cl2 Mg6 O26 -","- B56 Cl8 Mg24 O104 -","4","0.0416667","","Mehmel, M","Kristallstrukturelle Untersuchungen an Borazit","Fortschritte der Mineralogie","1932","17","","436","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1511652","11.955","","11.955","","11.955","","90","","90","","90","","1708.63","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cu3 (B7 O13 Br)","","- B7 Br Cu3 O13 -","- B7 Br Cu3 O13 -","- B56 Br8 Cu24 O104 -","8","0.0833333","","Nelmes, R.J.; Hay, W.J.","Structural studies of boracites- VI. The cubic phase of cobalt iodine boracite, Co3 B7 O13 I, and of copper bromine boracite Cu3 B7 O13 Br","Journal of Physics C","1981","14","","5247","5257","10.1088/0022-3719/14/34/007","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511653","12.31","","12.31","","12.31","","90","","90","","90","","1865.41","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Mn3 (Br B7 O13)","","- B7 Br Mn3 O13 -","- B7 Br Mn3 O13 -","- B56 Br8 Mn24 O104 -","8","0.0833333","","Crottaz, O.; Schmid, H.; Kubel, F.","High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites","Journal of Solid State Chemistry","1995","120","","60","63","10.1006/jssc.1995.1376","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511656","12.491","","12.491","","12.491","","90","","90","","90","","1948.91","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cd3 B7 O13 S2","","- B7 Cd2.988 O12.765 S1.88 -","- B7 Cd2.988 O12.765 S1.88 -","- B56 Cd23.904 O102.12 S15.04 -","8","0.0833333","","Nelmes, R.J.; Gould, S.E.B.; Gould, R.O.","Structural studies of boracites. VII. Cadmium sulphur boracite at room temperature","Journal of Physics C","1981","14","","5259","5267","10.1088/0022-3719/14/34/008","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511657","12.132","","12.132","","12.132","","90","","90","","90","","1785.65","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cr3 (B7 O13 Cl)","","- B7 Cl Cr3 O13 -","- B7 Cl Cr3 O13 -","- B56 Cl8 Cr24 O104 -","8","0.0833333","","Nelmes, R.J.; Thornley, F.R.","Structural studies of boracites. The cubic phase of chromium chlorine boracite, Cr3 B7 O13 Cl","Journal of Physics C","1974","7","","3855","3874","10.1088/0022-3719/7/21/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511664","12.11","","12.11","","12.11","","90","","90","","90","","1775.96","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Co3 (B7 O13 I)","","- B7 Co3 I O13 -","- B7 Co3 I O13 -","- B56 Co24 I8 O104 -","8","0.0833333","","Bugakov, V.I.; Pakhomov, V.I.; Saifuddinov, V.Z.","Preparation and structure of Co3 B7 O13 I crystals","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1980","16","","142","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511673","12.22869","","12.22869","","12.22869","","90","","90","","90","","1828.69","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Fe3 (B7 O13 I)","","- B7 Fe3 I O13 -","- B7 Fe3 I O13 -","- B56 Fe24 I8 O104 -","8","0.0833333","","Kubel, F.","Powder diffraction refinement of cubic and rhombohedral iron iodine boracite, Fe3 B7 O13 I","Ferroelectrics","1994","160","","61","65","10.1080/00150199408007695","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511677","12.3404","","12.3404","","12.3404","","90","","90","","90","","1879.26","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Mn3 (I B7 O13)","","- B7 I Mn3 O13 -","- B7 I Mn3 O13 -","- B56 I8 Mn24 O104 -","8","0.0833333","","Crottaz, O.; Kubel, F.; Schmid, H.","High temperature single crystal X-ray diffraction: structure of cubic manganese iodine and manganese bromine boracites","Journal of Solid State Chemistry","1995","120","","60","63","10.1006/jssc.1995.1376","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511678","12.044","","12.044","","12.044","","90","","90","","90","","1747.08","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13 I)","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Thornley, F.R.; Nelmes, R.J.","Structural studies of boracites: III. The cubic phase of nickel iodine boracite, Ni3 B7 O13 I, at room temperature","Journal of Physics C","1976","9","","665","680","10.1088/0022-3719/9/5/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515861","37.295","0.004","37.295","0.004","37.295","0.004","90","","90","","90","","51874","10","150","2","150","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C32 H138 Cu4 F4 N12 O33 -","- C29.7667 H96 Cu4 F4 N12 O32.28 -","- C714.4 H2304 Cu96 F96 N288 O774.72 -","24","0.25","","Seeber, Georg; Cooper, Geoffrey J. T.; Newton, Graham N.; Rosnes, Mali H.; Long, De-Liang; Kariuki, Benson M.; Kögerler, Paul; Cronin, Leroy","Following the self assembly of supramolecular MOFs using X-ray crystallography and cryospray mass spectrometry","Chemical Science","2010","1","1","62","","10.1039/c0sc00264j","","","1.5418","CuKα","","0.0592","0.0526","","","0.1495","0.1625","","","","","","1.138","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1528553","11.4524","","11.4524","","11.4524","","90","","90","","90","","1502.07","","","","","","","","","","","","","3","F -4 3 c","F -4a 2 3","219","","La Fe11.08 Si1.92","","- Fe11.08 La Si1.92 -","- Fe11.08 La Si1.92 -","- Fe88.64 La8 Si15.36 -","8","0.0833333","","Han Mikyung; Miller, G.J.","An application of the ""coloring problem"": structure - composition - bonding relationships in the magnetocaloric materials La Fe(13-x) Si(x)","Industrial Heating","2008","47","","515","528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532589","24.6645","","24.6645","","24.6645","","90","","90","","90","","15004.3","","","","","","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","Rb124.48 K9.41 (Al96 Si96 O384)","","- Al96 K9.41 O384 Rb124.48 Si96 -","- Al96 K9.408 O384 Rb124.48 Si96 -","- Al96 K9.408 O384 Rb124.48 Si96 -","1","0.0104167","","Ikeda, T.; Kodaira, T.","Crystal structure annd magnetic properties of rubidium clusters in zeolite LTA","Studies in Surface Science and Catalysis","2001","135","","3416","3423","","","","","","","","","","","","","","","","","","","","","","has coordinates","158526","2020-10-21","18:00:00",""
"1535707","19.908","","19.908","","19.908","","90","","90","","90","","7890.11","","","","","","","","","","","","","3","F -4 3 c","F -4a 2 3","219","","K In I4","","- I4 In K -","- I4 In K -","- I96 In24 K24 -","24","0.25","","Burnus, R.; Meyer, G.","Synthese und Kristallstrukturen der Alkali-Tetraiodoindate(III), AInI4 (A = Li, K, Rb, Cs)","Zeitschrift fuer Anorganische und Allgemeine Chemie","1991","602","","31","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1541660","12.016","","12.016","","12.016","","90","","90","","90","","1734.92","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13 I)","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Thornley, F.R.; Kennedy, N.S.J.; Nelmes, R.J.","Structural studies of boracites: IV. Thermal motion in cubic Ni3 B7 O13 I at 77","Journal of Physics C","1976","9","","681","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1552094","17.577","0.004","17.577","0.004","17.577","0.004","90","","90","","90","","5430","2","290","","290","","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- Ga7 H12 Na5 O6 S13 -","- Ga7 H12 Na5 O6 S13 -","- Ga56 H96 Na40 O48 S104 -","8","0.0833333","","Jack Rumble; Paz Vaqueiro","Na5(Ga4S)(GaS4)3 6H2O: A three-dimensional gallium sulphide containing a novel octahedral building block","Solid State Sciences","2011","13","","1137","1142","10.1016/j.solidstatesciences.2011.01.003","","","0.71073","MoKα","","0.0732","0.0319","","0.0639","0.0313","0.0313","","","","","","1.1206","","","","has coordinates","216971","2020-10-21","18:00:00",""
"1553643","29.3374","0.0007","29.3374","0.0007","29.3374","0.0007","90","","90","","90","","25250.2","1","100","","100.05","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 Fe N6 -","- C27 H33 B2 F10.9999 Fe N6 -","- C864 H1056 B64 F351.997 Fe32 N192 -","32","0.333333","","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","","x-ray","0.71073","MoKα","","0.0572","0.0486","","","0.1456","0.1548","","","","","","1.049","","","","has coordinates","235361","2020-10-21","18:00:00",""
"1553647","29.282","0.0008","29.282","0.0008","29.282","0.0008","90","","90","","90","","25107.4","1.2","100","","100.08","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C27 H33 B2 F11 N6 Zn -","- C27 H33 B2 F10.9999 N6 Zn -","- C864 H1056 B64 F351.997 N192 Zn32 -","32","0.333333","","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","","0.0382","0.0355","","","0.1002","0.103","","","","","","1.073","","","","has coordinates","235370","2020-10-21","18:00:00",""
"1554594","34.3297","0.0007","34.3297","0.0007","34.3297","0.0007","90","","90","","90","","40458.5","1.4","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C152 H144 Cd4 F24 N28 O24 S8 -","- C144 H144 Cd4 N28 -","- C1152 H1152 Cd32 N224 -","8","0.0833333","","Percástegui, Edmundo G; Mosquera, Jesús; Ronson, Tanya K.; Plajer, Alex J.; Kieffer, Marion; Nitschke, Jonathan R.","Waterproof architectures through subcomponent self-assembly.","Chemical science","2019","10","7","2006","2018","10.1039/c8sc05085f","","","1.54178","CuKα","","0.0445","0.04","","","0.1062","0.1103","","","","","","1.043","","","","has coordinates,has disorder","237408","2020-10-21","18:00:00",""
"1562289","19.1263","0.0002","19.1263","0.0002","19.1263","0.0002","90","","90","","90","","6996.69","0.13","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- Ag4 H18 Mn5 N6 Se13 Sn3 -","- Ag4 Mn5 N6 Se13 Sn3 -","- Ag32 Mn40 N48 Se104 Sn24 -","8","0.0833333","","Xiong, Wei-Wei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, Qichun","{[M(NH3)6][Ag4M4Sn3Se13]}∞(M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals","Journal of Solid State Chemistry","2014","218","","146","150","10.1016/j.jssc.2014.06.035","","","0.71073","MoKα","","0.042","0.0365","","","0.0829","0.0866","","","","","","1.02","","","","has coordinates","264698","2021-04-29","09:46:17",""
"1562290","18.9679","0.0004","18.9679","0.0004","18.9679","0.0004","90","","90","","90","","6824.3","0.2","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- Ag4 H18 N6 Se13 Sn3 Zn5 -","- Ag4 N6 Se13 Sn3 Zn5 -","- Ag32 N48 Se104 Sn24 Zn40 -","8","0.0833333","","Xiong, Wei-Wei; Miao, Jianwei; Li, Pei-Zhou; Zhao, Yanli; Liu, Bin; Zhang, Qichun","{[M(NH3)6][Ag4M4Sn3Se13]}∞(M=Zn, Mn): Three-dimensional chalcogenide frameworks constructed from quaternary metal selenide clusters with two different transition metals","Journal of Solid State Chemistry","2014","218","","146","150","10.1016/j.jssc.2014.06.035","","","0.71073","MoKα","","0.0635","0.0576","","","0.1526","0.157","","","","","","1.031","","","","has coordinates","264698","2021-04-29","09:46:18",""
"1574667","17.5314","0.0003","17.5314","0.0003","17.5314","0.0003","90","","90","","90","","5388.28","0.16","150","0.2","150","0.2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H36 K4 O4 Si4 -","- C12 H36 K4 O4 Si4 -","- C96 H288 K32 O32 Si32 -","8","0.0833333","","Yang, Xiao; Davison, Nathan; Lowe, Matthew E.; Waddell, Paul G.; Armstrong, Roly J.; McMullin, Claire L.; Hopkinson, Matthew N.; Lu, Erli","CO methylenation mediated by organo-alkali metal reagents: metal identity and ligand effects","Chemical Science","2025","16","24","11151","11160","10.1039/D5SC02313K","","x-ray","1.54184","CuKα","","0.0194","0.0185","","","0.051","0.0517","","","","","","1.12","","","","has coordinates","300540","2025-07-06","13:45:00",""
"2001501","17.573","0.002","17.573","0.002","17.573","0.002","90","","90","","90","","5426.7","1.1","153","2","153","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H36 K4 O4 Si4 -","- C12 H36 K4 O4 Si4 -","- C96 H288 K32 O32 Si32 -","8","0.0833333","SH1040","Pauer, F.; Sheldrick, G. M.","Structure of potassium silanolate at 153 K","Acta Crystallographica Section C","1993","49","7","1283","1284","10.1107/S0108270193001301","","","0.71072","MoKα","","0.0364","0.0227","","0.0716","0.0518","","","","1.084","1.084","1.084","","","","","has coordinates","301791","2025-08-18","23:15:00",""
"2018881","12.214","","12.214","","12.214","","90","","90","","90","","1822.11","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cr3 (B7 O13 I)","","- B7 Cr3 I O13 -","- B7 Cr3 I O13 -","- B56 Cr24 I8 O104 -","8","0.0833333","","Schmid, H.; Berset, G.; Monnier, A.","Cubic structure of chromium iodine borazite","Acta Crystallographica C (39,1983-)","1987","43","","1243","1245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2018882","12.0203","","12.0203","","12.0203","","90","","90","","90","","1736.78","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cu3 (B7 O13 I)","","- B7 Cu3 I O13 -","- B7 Cu3 I O13 -","- B56 Cu24 I8 O104 -","8","0.0833333","","Depmeier, W.; Berset, G.; Schmid, H.; Boutellier, R.","Structure of boracite Cu3 B7 O13 I","Acta Crystallographica C (39,1983-)","1985","41","","1694","1696","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2102130","24.47","","24.47","","24.47","","90","","90","","90","","14652","","293","","293","","","","","","","","","4","F -4 3 c","F -4c 2 3","","Dehydrated Ca-A zeolite","","","- Al96 Ca48 O384 Si96 -","- Al96 Ca25.088 O384 Si96 -","- Al96 Ca25.088 O384 Si96 -","1","0.0104167","BR0095","Porcher, Florence; Souhassou, Mohamed; Graafsma, Heinz; Puig-Molina, Anna; Dusausoy, Yves; Lecomte, Claude","Refinement of framework disorder in dehydrated CaA zeolite from single-crystal synchrotron data","Acta Crystallographica Section B","2000","56","5","766","772","10.1107/S0108768100006893","","","0.248","synchrotron","","0.07","0.07","","0.0667","0.0667","","","","2.45","2.45","2.45","","","","warnings","has coordinates","281832","2023-03-13","07:46:03",""
"2105430","12.134","","12.134","","12.134","","90","","90","","90","","1786.54","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cr3 (B7 O13 Br)","","- B7 Br Cr3 O13 -","- B7 Br Cr3 O13 -","- B56 Br8 Cr24 O104 -","8","0.0833333","","Yvon, K.; Yoshida, M.; Schmid, H.; Kubel, F.","Cubic structure of chromium-bromine boracite at 298 and 113 K","Acta Crystallographica B (39,1983-)","1992","48","","30","32","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106347","12.141","","12.141","","12.141","","90","","90","","90","","1789.63","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Li4 (B7 O12) Cl","","- B7 Cl Li4 O12 -","- B7 Cl Li4 O12 -","- B56 Cl8 Li32 O96 -","8","0.0833333","","Jeitschko, W.; Bither, T.A.; Bierstedt, P.E.","Crystal structure and ionic conductivity of Li boracites","Acta Crystallographica B (24,1968-38,1982)","1977","33","","2767","2775","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106953","17.344","","17.344","","17.344","","90","","90","","90","","5217.32","","","","","","","","","","","","","2","F -4 3 c","F -4a 2 3","219","","(Si5 Cl12) (Si Cl4)","","- Cl16 Si6 -","- Cl16 Si6 -","- Cl128 Si48 -","8","0.0833333","","Fleming, D.K.","The crystal and molecular structure of dodecachloropentasilane silicon tetrachloride","Acta Crystallographica B (24,1968-38,1982)","1972","28","","1233","1236","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:26",""
"2216109","17.76","0.002","17.76","0.002","17.76","0.002","90","","90","","90","","5601.8","1.1","295","2","295","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","tetra-μ~4~-fluorido-dodecamethyltetrapotassiumtetragallium","","- C12 H36 F4 Ga4 K4 -","- C12 H36 F4 Ga4 K4 -","- C96 H288 F32 Ga32 K32 -","8","0.0833333","SF3049","Harald Krautscheid; Oliver Kluge","(KF)~4~·4GaMe~3~","Acta Crystallographica Section E","2007","63","11","m2690","m2690","10.1107/S1600536807048453","","","0.71073","MoKα","","0.0181","0.0137","","","0.0338","0.035","","","","","","1.096","","","","has coordinates,has Fobs","301804","2025-08-19","12:26:29",""
"2312407","12.9839","0.0001","12.9839","0.0001","12.9839","0.0001","90","","90","","90","","2188.85","0.03","297","2","297","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Lithium aluminoboracite","Lithium aluminoboracite","","- Al3 B4 Cl Li4 O12 -","- Al3 B4 Cl Li3.997 O12 -","- Al24 B32 Cl8 Li31.976 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0307","0.0307","","","0.0746","0.0747","","","","","","1.155","","","","has coordinates","290317","2024-03-05","20:28:11",""
"2312409","13.5904","0.0001","13.5904","0.0001","13.5904","0.0001","90","","90","","90","","2510.13","0.03","294","2","294","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","Sodium aluminoboracite","Sodium aluminoboracite","","- Al3 B4 Cl0.92 Na3.92 O12 -","- Al3 B4 Cl0.92 Na3.918 O12 -","- Al24 B32 Cl7.36 Na31.344 O96 -","8","0.0833333","WM5704","Yoshino, Sho; Arima, Hidechika; Ishijima, Masanao; Kajihara, Koichi","Crystal structures of the alkali aluminoboracites <i>A</i><sub>4</sub>B<sub>4</sub>Al<sub>3</sub>O<sub>12</sub>Cl (<i>A</i> = Li, Na).","Acta crystallographica. Section E, Crystallographic communications","2024","80","Pt 2","169","173","10.1107/S2056989024000501","","","1.54178","CuKα","","0.0222","0.022","","","0.055","0.0551","","","","","","1.197","","","","has coordinates","290317","2024-03-05","20:28:12",""
"4023219","32.348","0.005","32.348","0.005","32.348","0.005","90","","90","","90","","33848","9","180","2","180","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C120 H72 O16 Ti4 -","- C120 H72 O16 Ti4 -","- C960 H576 O128 Ti32 -","8","0.0833333","","Bernd Schetter; Burkhard Ziemer; Gregor Schnakenburg; Rainer Mahrwald","Tetranuclear BINOL-Titanium Complex in Selective Direct Aldol Additions","Journal of Organic Chemistry","2008","73","","813","819","10.1021/jo7014054","","","0.71073","MoKα","","0.0718","0.0497","","","0.1198","0.1294","","","","","","0.871","","","","has coordinates","178411","2020-10-21","18:00:00",""
"4100730","18.2136","0.0013","18.2136","0.0013","18.2136","0.0013","90","","90","","90","","6042.1","0.7","233","2","233","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- H5 In7 Na5 O6 P0 S13 -","- H12 In7 Na5 O6 S13 -","- H96 In56 Na40 O48 S104 -","8","0.0833333","","","","Journal of the American Chemical Society","2005","","","","","10.1021/ja050281g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4111888","48.344","0.0007","48.344","0.0007","48.344","0.0007","90","","90","","90","","112987","3","293","2","293","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TMA","","","- C304 H296 Cd54 N4 O4 S80 -","- C288 Cd54 O4 S80 -","- C2304 Cd432 O32 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.1561","0.0739","","","0.2362","0.2992","","","","","","1.048","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4111889","48.248","0.003","48.248","0.003","48.248","0.003","90","","90","","90","","112315","12","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","MOL-1CdS-TPhP","","","- C384 H328 Cd54 O4 P4 S48 Se32 -","- C288 Cd54 O4 P9.6 S80 -","- C2304 Cd432 O32 P76.8 S640 -","8","0.0833333","","Nanfeng Zheng; Xianhui Bu; Haiwei Lu; Qichun Zhang; Pingyun Feng","Crystalline Superlattices from Single-Sized Quantum Dots","Journal of the American Chemical Society","2005","127","","11963","11965","10.1021/ja053588o","","","0.71073","MoKα","","0.2041","0.1034","","","0.3496","0.4042","","","","","","1.796","","","","has coordinates","178889","2020-10-21","18:00:00",""
"4117203","40.95","0.005","40.95","0.005","40.95","0.005","90","","90","","90","","68669","15","130","2","130","2","","","","","","","synthetic","5","F -4 3 c","F -4a 2 3","219","Ni(II) DPP","Ni(II) 2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrin","","- C127.9 H130.9 Cl2.6 N4 Ni -","- C129.813 H60 Cl2.52 N4 Ni -","- C3115.52 H1440 Cl60.48 N96 Ni24 -","24","0.25","","Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith","Conformational Flexibility in Dodecasubstituted Porphyrins","Journal of the American Chemical Society","1996","118","","10918","10919","10.1021/ja962164e","","","1.54178","CuKα","","0.1102","0.0891","","0.2883","0.225","","","","1.026","1.041","1.041","","","","","has coordinates","178943","2020-10-21","18:00:00",""
"4120768","46.6523","0.0001","46.6523","0.0001","46.6523","0.0001","90","","90","","90","","101536","0.4","123","2","123","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C164 H146 F24 N14 O8 P12 Re4 -","- C163.987 H128 F24.04 N13.9867 O8 P12.0067 Re4 -","- C3935.68 H3072 F576.96 N335.68 O192 P288.16 Re96 -","24","0.25","","Tatsuki Morimoto; Chiaki Nishiura; Marina Tanaka; Jana Rohacova; Yuki Nakagawa; Yusuke Funada; Kazuhide Koike; Youhei Yamamoto; Sayaka Shishido; Tatsuhiro Kojima; Takuro Saeki; Tomoji Ozeki; Osamu Ishitani","Ring-Shaped Re(I) Multinuclear Complexes with Unique Photofunctional Properties","Journal of the American Chemical Society","2013","135","","13266","13269","10.1021/ja406144h","","","0.689","synchrotron","","0.0207","0.0197","","","0.0566","0.0574","","","","","","1.071","","","","has coordinates,has disorder","178984","2020-10-21","18:00:00",""
"4301787","31.9148","0.0008","31.9148","0.0008","31.9148","0.0008","90","","90","","90","","32507","1.4","200","2","200","2","","","","","","","Synthesized by the authors. See text","7","F -4 3 c","F -4a 2 3","219","","","","- C167 H156 Cu4 F24 N16 O12 P4 -","- C166.92 H155.88 Cu4 F24 N16 O12 P4 -","- C1335.36 H1247.04 Cu32 F192 N128 O96 P32 -","8","0.0833333","","Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest","Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)","Inorganic Chemistry","2009","48","","2793","2807","10.1021/ic8019809","","","1.54178","CuKα","","0.0842","0.0745","","","0.1971","0.2041","","","","","","1.059","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4301794","31.7641","0.0011","31.7641","0.0011","31.7641","0.0011","90","","90","","90","","32048.6","1.9","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","F -4 3 c","F -4a 2 3","219","","","","- C159 H152 Cu4 N20 O40 -","- C159 H151.999 Cu4 N20 O39.9976 -","- C1272 H1215.99 Cu32 N160 O319.981 -","8","0.0833333","","Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest","Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)","Inorganic Chemistry","2009","48","","2793","2807","10.1021/ic8019809","","","1.54178","CuKα","","0.0643","0.0628","","","0.1502","0.1506","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4301795","32.049","0.009","32.049","0.009","32.049","0.009","90","","90","","90","","32919","16","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","F -4 3 c","F -4a 2 3","219","","","","- C167 H156 B4 Cu4 F16 N16 O12 -","- C167 H156 B4 Cu4 F16 N16 O12 -","- C1336 H1248 B32 Cu32 F128 N128 O96 -","8","0.0833333","","Patrick E. Ryan; Christophe Lescop; Dominic Laliberté; Tamara Hamilton; Thierry Maris; James D. Wuest","Engineering New Metal-Organic Frameworks Built from Flexible Tetrapyridines Coordinated to Cu(II) and Cu(I)","Inorganic Chemistry","2009","48","","2793","2807","10.1021/ic8019809","","","1.54178","CuKα","","0.0752","0.0749","","","0.1859","0.1867","","","","","","1.162","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4308050","28.6613","0.0009","28.6613","0.0009","28.6613","0.0009","90","","90","","90","","23544.4","1.3","293","2","293","2","","","","","","","","8","F -4 3 c","F -4a 2 3","219","CLUSTER-2","Cluster Co-Hg-Te","","- C108 H60 Cl4 Co Hg8 N6 O6 Te13 -","- C108 H60 Cl4 Co Hg8 N6 O6 Te13 -","- C864 H480 Cl32 Co8 Hg64 N48 O48 Te104 -","8","0.0833333","","Davi F. Back; Gelson N. M. de Oliveira; Robert A. Burrow; Ernesto E. Castellano; Ulrich Abram; Ernesto S. Lang","Mercury Bis(phenyltellurolate) as a Precursor for the Synthesis of Binary and Ternary Nanoclusters","Inorganic Chemistry","2007","46","","2356","2358","10.1021/ic070006q","","","0.71073","MoKα","","0.0597","0.0343","","","0.0954","0.1633","","","","","","1.32","","","","has coordinates","268283","2021-08-30","06:31:22",""
"4308051","28.6613","0.0009","28.6613","0.0009","28.6613","0.0009","90","","90","","90","","23544.4","1.3","296","2","296","2","","","","","","","","8","F -4 3 c","F -4a 2 3","219","","[(PhTe)12Hg8TeCl4][NiDMF6]","","- C90 H60 Cl4 Hg8 N6 Ni O6 Te13 -","- C90 H60 Cl4 Hg8 N6 Ni O6 Te13 -","- C720 H480 Cl32 Hg64 N48 Ni8 O48 Te104 -","8","0.0833333","","Davi F. Back; Gelson N. M. de Oliveira; Robert A. Burrow; Ernesto E. Castellano; Ulrich Abram; Ernesto S. Lang","Mercury Bis(phenyltellurolate) as a Precursor for the Synthesis of Binary and Ternary Nanoclusters","Inorganic Chemistry","2007","46","","2356","2358","10.1021/ic070006q","","","0.71073","MoKα","","0.0754","0.038","","","0.1089","0.1523","","","","","","1.344","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4309223","37.1143","0.0012","37.1143","0.0012","37.1143","0.0012","90","","90","","90","","51124","3","150","2","150","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C108 H144 Hg10 P4 Se16 -","- C108 Hg10 P4 Se16 -","- C1728 Hg160 P64 Se256 -","16","0.166667","","Marty W. DeGroot; Nicholas J. Taylor; John F. Corrigan","Controlled Synthesis of Ternary II-II'-VI Nanoclusters and the Effects of Metal Ion Distribution on Their Spectral Properties","Inorganic Chemistry","2005","44","","5447","5458","10.1021/ic0481576","","x-ray","0.71073","MoKα","","0.1355","0.0695","","","0.1636","0.1669","","","","","","2.424","","","","has coordinates","179130","2020-10-21","18:00:00",""
"4314116","19.923","0.003","19.923","0.003","19.923","0.003","90","","90","","90","","7908","2","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- K10 S17 Sn4 Zn4 -","- K10 S17 Sn4 Zn4 -","- K80 S136 Sn32 Zn32 -","8","0.0833333","","Oleg Palchik; Ratnasabapathy G. Iyer; J. H. Liao; Mercouri G. Kanatzidis","K10M4Sn4S17 (M = Mn, Fe, Co, Zn): Soluble Quaternary Sulfides with the Discrete [M4Sn4S17]10- Supertetrahedral Clusters","Inorganic Chemistry","2003","42","","5052","5054","10.1021/ic034600l","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4315529","39.504","0.01","39.504","0.01","39.504","0.01","90","","90","","90","","61649","3","150","2","150","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C55 H104 Li O4 P3 Si6 Sn -","- C54.96 H103.92 Li O4 P3 Si6 Sn -","- C1758.72 H3325.44 Li32 O128 P96 Si192 Sn32 -","32","0.333333","","Keith Izod; John Stewart; Ewan R. Clark; William Clegg; Ross W. Harrington","Germanium(II) and Tin(II) Complexes of a Sterically Demanding Phosphanide Ligand","Inorganic Chemistry","2010","49","","4698","4707","10.1021/ic1003534","","","0.71073","MoKα","","0.1108","0.0552","","","0.1137","0.1456","","","","","","1.109","","","","has coordinates,has disorder","179235","2020-10-21","18:00:00",""
"4316213","37.295","0.004","37.295","0.004","37.295","0.004","90","","90","","90","","51874","10","190","2","190","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C108 H144 Cd4 Mn6 P4 Se16 -","- C108 H144 Cd4.02 Mn5.98 P4 Se16 -","- C1728 H2304 Cd64.32 Mn95.68 P64 Se256 -","16","0.166667","","Andreas Eichhöfer; Oliver Hampe; Sergei Lebedkin; Florian Weigend","Bistrimethylsilylamide Transition-Metal Complexes as Starting Reagents in the Synthesis of Ternary Cd-Mn-Se Cluster Complexes","Inorganic Chemistry","2010","49","","7331","7339","10.1021/ic100310w","","","0.71073","MoKα","","0.0526","0.0442","","","0.128","0.1347","","","","","","0.972","","","","has coordinates","179242","2020-10-21","18:00:00",""
"4329084","36.38","0.003","36.38","0.003","36.38","0.003","90","","90","","90","","48149","7","100","2","100","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C84 H48 Ni8 O118.72 P16 U12 -","- C84 H48 Ni8 O118.72 P16 U12 -","- C672 H384 Ni64 O949.76 P128 U96 -","8","0.0833333","","Pius O. Adelani; Allen G. Oliver; Thomas E. Albrecht-Schmitt","Uranyl Heteropolyoxometalate: Synthesis, Structure, and Spectroscopic Properties","Inorganic Chemistry","2012","51","","4885","4887","10.1021/ic300035n","","","0.71073","MoKα","","0.0519","0.0344","","","0.0903","0.0969","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4339377","55.983","0.007","55.983","0.007","55.983","0.007","90","","90","","90","","175456","4","100","2","100","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C432 H384 Cu12 N120 O120 -","- C432 H384 Cu12 N120 O120 -","- C3456 H3072 Cu96 N960 O960 -","8","0.0833333","","Park, Jaejoon; Hong, Seunghee; Moon, Dohyun; Park, Mira; Lee, Kyungjin; Kang, Sangmi; Zou, Yang; John, Rohith P.; Kim, Ghyung Hwa; Lah, Myoung Soo","Porous metal-organic frameworks based on metal-organic polyhedra with nanosized cavities as supramolecular building blocks: two-fold interpenetrating primitive cubic networks of [Cu6L8]12+ nanocages.","Inorganic chemistry","2007","46","24","10208","10213","10.1021/ic7013623","","","0.74999","synchrotron","","0.079","0.0659","","","0.2001","0.2091","","","","","","1.029","","","","has coordinates","179496","2020-10-21","18:00:00",""
"4345120","17.878","0.002","17.878","0.002","17.878","0.002","90","","90","","90","","5714.2","1.1","293","2","293","2","","","","","","","","3","F -4 3 c","F -4a 2 3","219","","","","- Cu8 S12 Sn3 -","- Cu8 S12 Sn3 -","- Cu32 S48 Sn12 -","4","0.0416667","","Zhang, Dan; Li, Guangshe; Peng, Yu; Li, Liping","Synthesis of a Ternary Thiostannate with 3D Channel Decorated by Hydronium for High Proton Conductivity.","Inorganic chemistry","2017","56","1","208","212","10.1021/acs.inorgchem.6b02012","","","0.71073","MoKα","","0.0346","0.0326","","","0.1214","0.1255","","","","","","1.008","","","","has coordinates","191265","2020-10-21","18:00:00",""
"4505115","35.8","0.004","35.8","0.004","35.8","0.004","90","","90","","90","","45883","9","173","2","173","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","silver tris(2-pyridylmethyl)cyclotriguaiacylene hexafluorophosphine","","","- C42 H39 Ag1.5 F9 N3 O6 P1.5 -","- C42 H39 Ag1.5 F9.03 N3 O6 P1.5 -","- C1344 H1248 Ag48 F288.96 N96 O192 P48 -","32","0.333333","","Sumby, Christopher J.; Hardie, Michaele J.","Disentangling Disorder in the Three-Dimensional Coordination Network of {Ag3[Tris(2-pyridylmethyl)cyclotriguaiacylene]2}(PF6)3","Crystal Growth & Design","2005","5","4","1321","","10.1021/cg050061e","","","0.71073","MoKα","","0.2193","0.1574","","","0.3641","0.4178","","","","","","2.748","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4518645","33.212","0.0003","33.212","0.0003","33.212","0.0003","90","","90","","90","","36634.1","0.6","123","0.1","123","0.1","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C180 H184 Ag Cu16 F6 P13 S8 -","- C180 H184 Ag Cu16 F6 P13 S8 -","- C1440 H1472 Ag8 Cu128 F48 P104 S64 -","8","0.0833333","","Han, Bao-Liang; Wang, Zhi; Gupta, Rakesh Kumar; Feng, Lei; Wang, Suna; Kurmoo, Mohamedally; Gao, Zhi-Yong; Schein, Stan; Tung, Chen-Ho; Sun, Di","Precise Implantation of an Archimedean Ag@Cu<sub>12</sub> Cuboctahedron into a Platonic Cu<sub>4</sub>Bis(diphenylphosphino)hexane<sub>6</sub> Tetrahedron.","ACS nano","2021","","","","","10.1021/acsnano.1c00942","","x-ray","1.54184","CuKα","","0.0759","0.069","","","0.2244","0.2351","","","","","","1.13","","","","has coordinates,has disorder","264707","2021-04-29","21:55:06",""
"7006714","29.6863","0.0003","29.6863","0.0003","29.6863","0.0003","90","","90","","90","","26161.8","0.5","233","2","233","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","Fe(3+) . NL3(3-)H(1+) . I3(1-)1-x . I(1-)x . nH2O x=0.475, n=2.625","Fe(3+) . NL3(3-)H(1+) . I3(1-)1-x . I(1-)x . nH2O x=0.475, n=2.625","","- C21 H33.25 Fe I2.05 N10 O2.625 -","- C21 H33.24 Fe I2.04995 N10 O2.625 -","- C672 H1063.68 Fe32 I65.5984 N320 O84 -","32","0.333333","","Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Noll, Bruce C.; Scheidt, W. Robert; Viragh, Carol; Zavalij, Peter Y.; Zielaski, Daniel","Synthesis and characterization of manganese(II) and iron(III) d5 tripodal imidazole complexes. Effect of oxidation state, protonation state and ligand conformation on coordination number and spin state.","Dalton transactions (Cambridge, England : 2003)","2006","","8","1009","1019","10.1039/b513282g","","","0.71073","MoKα","","0.0678","0.0494","","","0.1283","0.1512","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7017275","39.2647","0.0009","39.2647","0.0009","39.2647","0.0009","90","","90","","90","","60535","2","100","","100","","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C56 H106 Cl2 Fe12 N8 O38 -","- C56 H106 Fe12 N8 O38 -","- C1344 H2544 Fe288 N192 O912 -","24","0.25","","Graham, Kristoffer; Douglas, Fraser J.; Mathieson, Jennifer S.; Moggach, Stephen A.; Schnack, Jürgen; Murrie, Mark","Cubic assembly of a geometrically frustrated {Fe(12)} spin cluster.","Dalton transactions (Cambridge, England : 2003)","2011","40","45","12271","12276","10.1039/c1dt10910c","","","0.71073","MoKα","","0.0334","0.0253","","0.0741","0.0614","0.0741","","","","","","0.824","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7041392","33.108","0.003","33.108","0.003","33.108","0.003","90","","90","","90","","36291","6","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","TriphosNiCl ClO4","TriphosNiCl ClO4","","- C40 H39 Cl2 Ni O4 P3 Si -","- C40 H38.97 Cl2 Ni O4 P3 Si -","- C1280 H1247.04 Cl64 Ni32 O128 P96 Si32 -","32","0.333333","","Petuker, Anette; Mebs, Stefan; Schuth, Nils; Gerschel, Philipp; Reback, Matthew L.; Mallick, Bert; van Gastel, Maurice; Haumann, Michael; Apfel, Ulf-Peter","Spontaneous Si-C bond cleavage in (Triphos(Si))-nickel complexes.","Dalton transactions (Cambridge, England : 2003)","2017","46","3","907","917","10.1039/c6dt04048a","","","0.71073","MoKα","","0.111","0.083","","","0.2256","0.2451","","","","","","0.923","","","","has coordinates,has disorder","191645","2020-10-21","18:00:00",""
"7101808","34.9941","0.0014","34.9941","0.0014","34.9941","0.0014","90","","90","","90","","42853","3","160","","160","","","","","","","","","8","F -4 3 c","F -4a 2 3","219","","","","- C148 H210 B8 Cl4 Cr8 Cu6 N72 O42 -","- C159 H80 B8 Cl3 Cr8 Cu6 N72 O28.5 -","- C1272 H640 B64 Cl24 Cr64 Cu48 N576 O228 -","8","0.0833333","","Harris, T David; Long, Jeffrey R","Linkage isomerism in a face-centered cubic Cu6Cr8(CN)24 cluster with an S=15 ground state.","Chemical communications (Cambridge, England)","2007","","13","1360","1362","10.1039/b615141h","","","0.71073","MoKα","","0.1254","0.0703","","","0.1897","0.2459","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7105935","35.204","0.004","35.204","0.004","35.204","0.004","90","","90","","90","","43629","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C134 H188 Al4 Br Li17 O14.5 P12 -","- C134.2 H180.36 Al4 Br Li16.99 O14.52 P12 -","- C1073.6 H1442.88 Al32 Br8 Li135.92 O116.16 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.0761","0.0656","","","0.1723","0.1881","","","","","","1.13","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105936","35.133","0.004","35.133","0.004","35.133","0.004","90","","90","","90","","43366","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C144 H196 Br Ga4 Li17 O17 P12 -","- C144.06 H191.88 Br Ga4 Li17 O16.96 P12 -","- C1152.48 H1535.04 Br8 Ga32 Li136 O135.68 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.097","0.0671","","","0.1842","0.2235","","","","","","1.09","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7105937","35.019","0.004","35.019","0.004","35.019","0.004","90","","90","","90","","42945","8","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C134 H188 Ga4 I0.5 Li16.5 O14.5 P12 -","- C134.2 H184.2 Ga4 I0.5 Li16.48 O15.6 P12 -","- C1073.6 H1473.6 Ga32 I4 Li131.84 O124.8 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.0639","0.0523","","","0.1402","0.1509","","","","","","1.105","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105938","35.11","0.004","35.11","0.004","35.11","0.004","90","","90","","90","","43281","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C134 H188 Br In4 Li17 O14.5 P12 -","- C134.2 H184.2 Br In4 Li17.03 O14.52 P12 -","- C1073.6 H1473.6 Br8 In32 Li136.24 O116.16 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.1028","0.0703","","","0.1838","0.2077","","","","","","1.104","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7105939","35.312","0.004","35.312","0.004","35.312","0.004","90","","90","","90","","44032","9","180","2","180","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C138.67 H193.33 I0.67 In4 Li16.67 O15.67 P12 -","- C138.34 H183.24 I0.67 In4 Li16.68 O15.56 P12 -","- C1106.72 H1465.92 I5.36 In32 Li133.44 O124.48 P96 -","8","0.0833333","","Felipe Garcia; Robert J. Less; Mary McPartlin; Annette Michalski; Robert E. Mulvey; Vesal Naseri; Matthew Stead; Ana Moran de Vega; Dominic S. Wright","Confinement of halide ions within homologous inverse coordination hosts; modification of halide-ion selectivity","Chemical Communications","2011","47","6","1821","1823","10.1039/c0cc04483k","","","0.71073","MoKα","","0.1001","0.0699","","","0.1864","0.2116","","","","","","1.129","","","","has coordinates,has disorder","180163","2020-10-21","18:00:00",""
"7108022","39.6914","0.0012","39.6914","0.0012","39.6914","0.0012","90","","90","","90","","62530","3","296","2","296","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C54 H36 Mn10 N24 O33 -","- C54 H36 Mn10 N24 O33 -","- C864 H576 Mn160 N384 O528 -","16","0.166667","","Le Wang; Jason Morales; Tao Wu; Xiang Zhao; Ward P. Beyermann; Xianhui Bu; Pingyun Feng","Assembly of super-supertetrahedral metal-organic clusters into a hierarchical porous cubic framework","Chem.Commun.","2012","48","","7498","","10.1039/c2cc32907g","","","0.71073","MoKα","","0.0617","0.0499","","","0.1063","0.1096","","","","","","1.158","","","","has coordinates","180184","2020-10-21","18:00:00",""
"7108559","30.1702","0.0011","30.1702","0.0011","30.1702","0.0011","90","","90","","90","","27462.2","1.7","185","2","185","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C12 H28 Cu3 N6 O17 -","- C12 H6 Cu3 N6 O10 -","- C384 H192 Cu96 N192 O320 -","32","0.333333","","Shengqun Su; Yibo Zhang; Min Zhu; Xuezhi Song; Song Wang; Shuna Zhao; Shuyan Song; Xiangguang Yang; Hongjie Zhang","An active-site-accessible porous metal-organic framework composed of triangular building units: preparation, catalytic activity and magnetic property","Chem.Commun.","2012","48","","11118","","10.1039/c2cc35606f","","","0.71073","MoKα","","0.067","0.0638","","","0.194","0.201","","","","","","1.162","","","","has coordinates,has disorder","180189","2020-10-21","18:00:00",""
"7117998","48.2907","0.0017","48.2907","0.0017","48.2907","0.0017","90","","90","","90","","112614","7","173","2","173","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C31 H20 B N -","- C31 H20 B N -","- C5952 H3840 B192 N192 -","192","2","","Schickedanz, Kai; Trageser, Timo; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","A boron-doped helicene as a highly soluble, benchtop-stable green emitter","Chemical Communications (Cambridge, United Kingdom)","2015","51","87","15808","15810","10.1039/c5cc07208e","","","0.71073","MoKα","","0.114","0.0654","","","0.1133","0.1311","","","","","","0.941","","","","has coordinates","301857","2025-08-21","22:47:30",""
"7125313","48.1642","0.0008","48.1642","0.0008","48.1642","0.0008","90","","90","","90","","111731","3","293","2","293","2","","","","","","","","5","F -4 3 c","F -4a 2 3","219","","","","- C24 H12 N3 Na2.58333 O6 -","- C24 H12 N3 Na2.58333 O6 -","- C2304 H1152 N288 Na248 O576 -","96","1","","Chen, Di-Ming; Tian, Jia-Yue; Wang, Zhuo-Wei; Liu, Chun-Sen; Chen, Min; Du, Miao","An anionic Na(i)-organic framework platform: separation of organic dyes and post-modification for highly sensitive detection of picric acid.","Chemical communications (Cambridge, England)","2017","53","77","10668","10671","10.1039/c7cc06073d","","","1.54184","CuKα","","0.1252","0.0954","","","0.2603","0.2877","","","","","","0.868","","","","has coordinates","290444","2024-03-12","09:55:30",""
"7133946","35.2652","0.0008","35.2652","0.0008","35.2652","0.0008","90","","90","","90","","43857","1.7","150","2","150","2","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C350.54 H326.54 Cl45 N24 -","- C350.536 H326.544 Cl45 N24 -","- C1402.14 H1306.18 Cl180 N96 -","4","0.0416667","","David, Tim; Oestreich, Robert; Pausch, Tobias; Wada, Yuki; Fleck-Kunde, Tom; Kawano, Masaki; Janiak, Christoph; Schmidt, Bernd M.","Fluorinated <i>vs.</i> non-fluorinated tetrahedral Tri<sup>4</sup>Tri<sup>4</sup> porous organic cages for H<sub>2</sub>, CO<sub>2</sub>, and CH<sub>4</sub> adsorption.","Chemical communications (Cambridge, England)","2024","60","99","14762","14765","10.1039/d4cc05277c","","","1.54184","CuKα","","0.142","0.1258","","","0.3244","0.3455","","","","","","1.334","","","","has coordinates,has disorder","297078","2025-01-06","10:21:14",""
"7209494","12.1866","","12.1866","","12.1866","","90","","90","","90","","1809.87","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Li4 (B7 O12) Cl","","- B7 Cl Li4 O12 -","- B7 Cl Li4.1 O12 -","- B56 Cl8 Li32.8 O96 -","8","0.0833333","","Bither, T.A.; Jeitschko, W.","Lithium halogenoboracites - the crystal structures of Li4 B7 O12 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1423","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7212014","36.577","0.007","36.577","0.007","36.577","0.007","90","","90","","90","","48936","16","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C48 H72 Cl4 Cu31 N96 O32 S32 -","- C384 H576 Cl32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0561","0.0501","","","0.1007","0.1035","","","","","","1.106","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212015","36.3997","0.0005","36.3997","0.0005","36.3997","0.0005","90","","90","","90","","48227.4","1.1","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C48 H72 Br4 Cu31 N96 O32 S32 -","- C384 H576 Br32 Cu248 N768 O256 S256 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0363","0.0333","","","0.0839","0.0854","","","","","","1.066","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7212016","36.6289","0.0011","36.6289","0.0011","36.6289","0.0011","90","","90","","90","","49144","3","298","2","298","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C48 H72 Cu31 I4 N96 O32 S32 -","- C48 H72 Cu31 I4 N96 O31.996 S31.996 -","- C384 H576 Cu248 I32 N768 O255.968 S255.968 -","8","0.0833333","","Hao, Zheng-Ming; Guo, Cai-Hong; Wu, Hai-Shun; Zhang, Xian-Ming","Luminescent boracite-like metal‒organic frameworks constructed by Cu-centered CuCu4 tetrahedra and CuCu3 triangles with an acentric cubic superlarge cell","CrystEngComm","2010","12","1","55","","10.1039/b918159h","","","0.71073","MoKα","","0.0327","0.0316","","","0.084","0.0847","","","","","","1.065","","","","has coordinates,has disorder","180451","2020-10-21","18:00:00",""
"7236101","18.04","0.002","18.04","0.002","18.04","0.002","90","","90","","90","","5871","1.1","293","2","293","2","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C12 H0 Cu16 N8 O0 S24 Sn6 -","- C12 Cu16 N8 S24 Sn6 -","- C48 Cu64 N32 S96 Sn24 -","4","0.0416667","","Nie, Lina; Zhang, Yu; Ye, Kaiqi; Han, Jianyu; Wang, Yue; Rakesh, Ganguly; Li, Yongxin; Xu, Rong; Yan, Qingyu; Zhang, Qichun","A crystalline Cu‒Sn‒S framework for high-performance lithium storage","Journal of Materials Chemistry A","2015","3","38","19410","","10.1039/C5TA04699H","","","0.71073","MoKα","","0.0525","0.0374","","","0.1058","0.1157","","","","","","1.118","","","","has coordinates","233915","2020-10-21","18:00:00",""
"7702038","35.5021","0.0001","35.5021","0.0001","35.5021","0.0001","90","","90","","90","","44746.8","0.2","123","2","123","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C33.8 H59.67 Cl6.85 Cu9.85 N1.9 P9 -","- C32.5334 H55.9998 Cl6.8501 Cu9.8501 N1.2667 P9 -","- C1041.07 H1791.99 Cl219.203 Cu315.203 N40.5344 P288 -","32","0.333333","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0466","0.046","","","0.1327","0.1332","","","","","","1.071","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702039","35.779","0.0001","35.779","0.0001","35.779","0.0001","90","","90","","90","","45802","0.2","123","2","123","2","","","","","","","","6","F -4 3 c","F -4a 2 3","219","","","","- C33.13 H58.7 Br7.1 Cu10.1 N1.57 P9 -","- C32.3336 H55.9998 Br7.1001 Cu10.1 N1.1667 P9 -","- C1034.68 H1791.99 Br227.203 Cu323.2 N37.3344 P288 -","32","0.333333","","Heindl, Claudia; Peresypkina, Eugenia V.; Virovets, Alexander V.; Komarov, Vladislav Yu; Scheer, Manfred","1,2,4-Triphospholyl anions - versatile building blocks for the formation of 1D, 2D and 3D assemblies.","Dalton transactions (Cambridge, England : 2003)","2015","44","22","10245","10252","10.1039/c5dt01230a","","x-ray","1.54178","CuKα","","0.0305","0.0304","","","0.0874","0.0875","","","","","","1.069","","","","has coordinates,has disorder","233438","2020-10-21","18:00:00",""
"7702051","39.4115","0.0004","39.4115","0.0004","39.4115","0.0004","90","","90","","90","","61216.6","1.1","293","","293","","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C216 H288 Cd3 Cl5 N24 O44 Se12 -","- C216 H288 Cd3 Cl4.99996 N24 O44 Se12 -","- C1728 H2304 Cd24 Cl39.9997 N192 O352 Se96 -","8","0.0833333","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.052911","0.041308","","","","0.12664","","","","","","1.05267","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702052","38.8082","0.0005","38.8082","0.0005","38.8082","0.0005","90","","90","","90","","58448.1","1.3","150","","150","","","","","","","","","7","F -4 3 c","F -4a 2 3","219","","","","- C216 H288 Cl5 N24 O52 Se12 Zn3 -","- C216 H288 Cl4.99996 N24 O52 Se12 Zn3 -","- C1728 H2304 Cl39.9997 N192 O416 Se96 Zn24 -","8","0.0833333","","Naga Babu, Chatla; Srinivas, Katam; Prabusankar, Ganesan","Facile access to zinc and cadmium selones: highly active catalysts for Barbier reactions in aqueous media.","Dalton transactions (Cambridge, England : 2003)","2016","45","15","6456","6465","10.1039/c5dt04871k","","x-ray","1.54184","CuKα","","0.062882","0.057438","","","","0.171034","","","","","","1.02092","","","","has coordinates","233452","2020-10-21","18:00:00",""
"7702167","60.721","0.008","60.721","0.008","60.721","0.008","90","","90","","90","","223881","5","100","2","100.15","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C520 H328 N72 Zn12 -","- C520 H328 N72 Zn12 -","- C4160 H2624 N576 Zn96 -","8","0.0833333","","Chakraborty, Sourav; Endres, Kevin J.; Bera, Ranajit; Wojtas, Lukasz; Moorefield, Charles N.; Saunders, Mary Jane; Das, Neeladri; Wesdemiotis, Chrys; Newkome, George R.","Concentration dependent supramolecular interconversions of triptycene-based cubic, prismatic, and tetrahedral structures.","Dalton transactions (Cambridge, England : 2003)","2018","47","40","14189","14194","10.1039/c7dt04571a","","","0.44281","","","0.1002","0.0996","","","0.2558","0.2567","","","","","","1.097","","","","has coordinates","235687","2020-10-21","18:00:00",""
"8103646","12.0368","","12.0368","","12.0368","","90","","90","","90","","1743.95","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Ni3 (B7 O13) I","","- B7 I Ni3 O13 -","- B7 I Ni3 O13 -","- B56 I8 Ni24 O104 -","8","0.0833333","","Becker, W.J.; Will, G.","Roentgen- und Neutronenbeugungsuntersuchungen an Ni-J-Boracit","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1970","131","","139","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"9000373","12.0986","","12.0986","","12.0986","","90","","90","","90","","1770.95","","","","673.15","","","","","","","","Solvayshall, Roschwitz, Germany","4","F -4 3 c","F -4a 2 3","219","","","Boracite","- B7 Cl Mg3 O13 -","- B7 Cl Mg3 O13 -","- B56 Cl8 Mg24 O104 -","8","0.0833333","","Sueno, S.; Clark, J. R.; Papike, J. J.; Konnert, J. A.","Crystal-structure refinement of cubic boracite T = 400 C","American Mineralogist","1973","58","","691","697","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9007766","17.255","","17.255","","17.255","","90","","90","","90","","5137.42","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","","","- C16 Co4 O16 Sn -","- C16 Co4 O16 Sn -","- C128 Co32 O128 Sn8 -","8","0.0833333","","Leigh, J. S.; Whitmire, K. H.","The structures of [Sn{Co(CO4)4}4] and [Pb{Co(CO)4}4]","Acta Crystallographica, Section C","1990","46","","732","736","10.1107/S0108270189006025","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9015802","12.1","","12.1","","12.1","","90","","90","","90","","1771.56","","","","","","","","","","","","Stassfurt, Germany","4","F -4 3 c","F -4a 2 3","219","","","Boracite","- B7 Cl Mg3 O13 -","- B7 Cl Mg3 O13 -","- B56 Cl8 Mg24 O104 -","8","0.0833333","","Ito, T.; Morimoto, N.; Sadanaga, R.","The crystal structure of boracite Note: high boracite Note: T = 300 C","Acta Crystallographica","1951","4","","310","316","10.1107/S0365110X51001033","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:53",""