# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T20:23:01+02:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'P -6 2 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
"1001687","5.699","0.001","5.699","0.001","13.07","0.01","90","","90","","120","","367.6","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sodium vanadium oxide (1/6/11)","","- Na O11 V6 -","- Na O11 V6 -","- Na2 O22 V12 -","2","0.166667","","De Roy, M E; Besse, J P; Chevalier, R; Gasperin, M","Synthese et structure cristalline de Na V6 O11","Journal of Solid State Chemistry","1987","67","","185","189","10.1016/0022-4596(87)90353-7","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009043","5.968","","5.968","","11.74","","90","","90","","120","","362.1","","","","","","","","","","","","synthetic","2","P -6 2 c","P -6c -2c","190","","Iron sulfide - LT","Troilite 2H","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Bertaut, F","La structure de sulfure de fer","Journal de Physique et du Radium","1954","15","","775","775","","","","","","","0.195","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010303","6.326","","6.326","","11.535","","90","","90","","120","","399.8","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Caesium duo-disulfate","","- Cs2 O6 S2 -","- Cs2 O6 S2 -","- Cs4 O12 S4 -","2","0.166667","","Haegg, G.","Die Kristallstruktur von Caesiumdithionat, Cs~2~S~2~O~6~","Zeitschrift für Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1932","18","","327","342","","","","","","","","","","","","","","","","","","","","","","has coordinates","282478","2023-04-06","12:32:03",""
"1010958","7.094","0.007","7.094","0.007","9.718","0.008","90","","90","","120","","423.5","","","","","","","","","","","","from W. Cheyenne Canon, Colorado","5","P -6 2 c","P -6c -2c","190","","Cerium lanthanum fluoride carbonate (.5/.5/1/1)","Bastnaesite (La)","- C Ce0.5 F La0.5 O3 -","- C0.333333 Ce0.5 F La0.5 O2.33333 -","- C2 Ce3 F6 La3 O14 -","6","0.5","","Oftedal, I","Zur Kristallstruktur von Bastnaesit (Ce La) F C O3","Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977)","1931","78","","462","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","208910","2020-10-21","18:00:00",""
"1100722","12.531","0.003","12.531","0.003","18.476","0.011","90","","90","","120","","2512.5","1.7","153","2","153","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C33 H15 Cl4 Fe4 N3 O17 -","- C33 H15 Cl3.999 Fe4 N3 O17 -","- C66 H30 Cl7.998 Fe8 N6 O34 -","2","0.166667","","Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi","Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New ""acs"" Topology","Inorganic Chemistry","2005","44","","2998","3000","10.1021/ic050064g","","","0.71073","MoKα","","0.1241","0.1044","","","0.2454","0.255","","","","","","1.26","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1100723","13.01","0.004","13.01","0.004","14.874","0.009","90","","90","","120","","2180.3","1.6","153","2","153","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","C40.50 H18 Fe3 N3 O16","","","- C40.5 H18 Fe3 N3 O16 -","- C40.5 H18 Fe3 N3 O16 -","- C81 H36 Fe6 N6 O32 -","2","0.166667","","Andrea C. Sudik; Adrien P. Côté; Omar M. Yaghi","Metal-Organic Frameworks Based on Trigonal Prismatic Building Blocks and the New ""acs"" Topology","Inorganic Chemistry","2005","44","","2998","3000","10.1021/ic050064g","","","0.71073","MoKα","","0.1382","0.0651","","","0.1039","0.1193","","","","","","1.004","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510580","9.631","","9.631","","9.856","","90","","90","","120","","791.725","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","K4 Au6 S5","","- Au6 K4 S5 -","- Au6 K4 S5 -","- Au12 K8 S10 -","2","0.166667","","Klepp, K.O.; Bronger, W.","Darstellung und Kristallstruktur von K4 Au6 S5 - ein Thioaurat mit anionischen (Au6 S5)-Baugruppen","Journal of the Less-Common Metals","1988","137","","13","20","10.1016/0022-5088(88)90071-9","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510581","9.983","","9.983","","9.95","","90","","90","","120","","858.768","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Rb4 (Au6 S5)","","- Au6 Rb4 S5 -","- Au6 Rb4 S5 -","- Au12 Rb8 S10 -","2","0.166667","","Weithaler, C.; Klepp, K.O.","Preparation and crystal structures of the new gold rich thioaurates Rb4 Au6 S5 and Cs4 Au6 S5","Journal of Alloys Compd.","1996","243","","12","18","10.1016/S0925-8388(96)02362-6","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520876","9.434","","9.434","","10.492","","90","","90","","120","","808.687","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Mg (H Se O3)2 (H2 O)3","","- H8 Mg O9 Se2 -","- H7.5 Mg O9 Se2 -","- H30 Mg4 O36 Se8 -","4","0.333333","","Boldt, K.; Engelen, B.; Panthoefer, M.; Mueller, H.; Unterderweide, K.","Mg (H Se O3)2 . 3(H2 O) : crystal structure, rotational and orientational disorder of 'free' (H Se O3)(-) ions and low temperature phase transition","Journal of Molecular Structure","1999","475","","35","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521129","7.0433","","7.0433","","7.7826","","90","","90","","120","","334.355","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Tb Ni Al D0.303","","- Al D0.303 Ni Tb -","- Al D0.303333 Ni Tb -","- Al6 D1.82 Ni6 Tb6 -","6","0.5","","Hauback, B.C.; Fjellvag, H.; Palhaugen, L.; Yartys', V.A.; Yvon, K.","Crystal and magnetic structure of Tb Ni Al - based deuterides, Tb Ni Al D0.3 and Tb Ni Al D1.04, studied by neutron diffraction and synchrotron radiation","Journal of Alloys Compd.","1999","293","","178","184","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521635","7.0832","","7.0832","","10.8948","","90","","90","","120","","473.379","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","La3 F3 (Si3 O9)","","- F3 La3 O9 Si3 -","- F3 La3 O9 Si3 -","- F6 La6 O18 Si6 -","2","0.166667","","Mueller-Bunz, H.; Schleid, T.","La3 F3 (Si3 O9): das erste Fluoridsilicat aus dem ternaeren System La F3 / La2 O3 / Si O2","Zeitschrift fuer Anorganische und Allgemeine Chemie","1999","625","","1377","1383","","","","","","","","","","","","","","","","","","","","","","has coordinates","141848","2020-10-21","18:00:00",""
"1523635","7.794","","7.794","","6.893","","90","","90","","120","","362.627","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","","- Ga Mg2 -","- Ga Mg2 -","- Ga6 Mg12 -","6","0.5","","Frank, K.; Schubert, K.","Kristallstrukturen von Mg2 Ga und Mg2 Tl","Journal of the Less-Common Metals","1970","20","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527418","8.607","","8.607","","6.898","","90","","90","","120","","442.545","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Co5.56 Er8 Ga10.44 -","- Co5.56 Er8 Ga10.44 -","- Co5.56 Er8 Ga10.44 -","1","0.0833333","","Gladyshevskii, R.E.; Cenzual, K.; Parthe, E.","Er2 Rh Si3 and R2 Co Ga3 (R= Y, Tb, Dy, Ho, Er, Tm, Yb) with Lu2 Co Ga3 type structure: new members of the Al B2 structure family","Journal of Alloys Compd.","1992","189","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527419","8.659","","8.659","","6.823","","90","","90","","120","","443.039","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Co Ga3 Lu2 -","- Co Ga3 Lu2 -","- Co4 Ga12 Lu8 -","4","0.333333","","Gladyshevskii, R.E.; Cenzual, K.; Parthe, E.","Er2 Rh Si3 and R2 Co Ga3 (R= Y, Tb, Dy, Ho, Er, Tm, Yb) with Lu2 Co Ga3 type structure: new members of the Al B2 structure family","Journal of Alloys Compd.","1992","189","","221","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527482","10.108","","10.108","","8.638","","90","","90","","120","","764.318","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Ba3 Pt2.07 O7.11","","- Ba3 O7.11 Pt2.07 -","- Ba3 O7.11 Pt2.075 -","- Ba12 O28.44 Pt8.3 -","4","0.333333","","Haradem, P.S.; Chamberland, B.L.; Gleizes, A.; Katz, L.","A structural model for barium platinum oxide, Ba3 Pt2 O7","Journal of Solid State Chemistry","1977","21","","217","223","","","","","","","","","","","","","","","","","","","","","","has coordinates","149079","2020-10-21","18:00:00",""
"1528115","8.262","","8.262","","8.439","","90","","90","","120","","498.875","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ce2 Rh Si3 -","- Ce2 Rh Si3 -","- Ce8 Rh4 Si12 -","4","0.333333","","Szytula, A.; Leciejewicz, J.; Maletka, K.","Neutron diffraction study of Ce2 Rh Si3, Nd2 Rh Si3 and Th2 Rh Si3","Journal of Magnetism and Magnetic Materials","1993","118","","302","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530015","3.35","","3.35","","17.94","","90","","90","","120","","174.358","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","K0.5 (H2 O)0.4 Nb S2","","- Nb S2 -","- Nb S2 -","- Nb2 S4 -","2","0.166667","","Graf, H.A.; Lerf, A.; Schoellhorn, R.","A crystal structure investigation of the hydrated layered chalcogenides Kx (H2 O)y Nb S2 and Kx (H2 O)y Ta S2","Journal of the Less-Common Metals","1977","55","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530016","3.336","","3.336","","18.18","","90","","90","","120","","175.217","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","K0.33 (H2 O)0.6 Ta S2","","- S2 Ta -","- S2 Ta -","- S4 Ta2 -","2","0.166667","","Graf, H.A.; Schoellhorn, R.; Lerf, A.","A crystal structure investigation of the hydrated layered chalcogenides Kx (H2 O)y Nb S2 and Kx (H2 O)y Ta S2","Journal of the Less-Common Metals","1977","55","","213","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533027","5.9261","","5.9261","","24.4","","90","","90","","120","","742.093","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Ba5 Na2 (Ru2 O9) (Ru O5)","","- Ba5 Na2 O14 Ru3 -","- Ba5 Na2 O13.998 Ru3 -","- Ba10 Na4 O27.996 Ru6 -","2","0.166667","","Quarez, E.; Mentre, O.","Electrosynthesis, structural transitions and characterization of the new 10H-(Ba5 Ru3 Na2 O14)","Solid State Sciences","2003","5","","1105","1116","","","","","","","","","","","","","","","","","","","","","","has coordinates","159105","2020-10-21","18:00:00",""
"1533648","8.086","","8.086","","7.804","","90","","90","","120","","441.891","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ho2 Rh Si3 -","- Ho2 Rh Si3 -","- Ho8 Rh4 Si12 -","4","0.333333","","Bazela, W.; Wawrzynska, E.; Szytula, A.; Penc, B.; Zygmunt, A.; Stuesser, N.","Magnetic structures of R2 Rh Si3 (R = Ho, Er) compounds","Journal of Alloys Compd.","2003","360","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1533655","8.078","","8.078","","7.748","","90","","90","","120","","437.853","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Er2 Rh Si3 -","- Er2 Rh Si3 -","- Er8 Rh4 Si12 -","4","0.333333","","Bazela, W.; Wawrzynska, E.; Penc, B.; Zygmunt, A.; Stuesser, N.; Szytula, A.","Magnetic structures of R2 Rh Si3 (R = Ho, Er) compounds","Journal of Alloys Compd.","2003","360","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534808","8.715","","8.715","","7.086","","90","","90","","120","","466.087","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sm8 Pt11 Si5","","- Pt11 Si5 Sm8 -","- Pt11.044 Si4.956 Sm8 -","- Pt11.044 Si4.956 Sm8 -","1","0.0833333","","Barakatova, Zh.M.; Aksel'rud, L.G.; Seropegin, Yu.D.; Bodak, O.I.","Crystal structure of Sm8 Pt11 Si5","Kristallografiya","1995","40","","370","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","161816","2020-10-21","18:00:00",""
"1537071","8.923","","8.923","","17.503","","90","","90","","120","","1206.88","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","C (Cl6 (Cl3 (W Cl)3)2)","","- C Cl18 W6 -","- C Cl18 W6 -","- C2 Cl36 W12 -","2","0.166667","","Zheng, Y.-Q.; Grin', Yu.; von Schnering, H.G.; Chang, J.-H.; Engelhardt, G.; Heckmann, G.","The carbon-centered triprismo-hexatungsten chlorides C W6 Cl16 and C W6 Cl18","Zeitschrift fuer Anorganische und Allgemeine Chemie","2003","629","","1256","1264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538513","10.561","","10.561","","13.522","","90","","90","","120","","1306.12","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Tl6 Pb I10","","- I10 Pb Tl6 -","- I10 Pb Tl6 -","- I20 Pb2 Tl12 -","2","0.166667","","Rabenau, A.; Schulz, H.; Stoeger, W.","A polyiodide with regular I4(2-) chains: Tl6 Pb I10","Naturwissenschaften","1976","63","","245","245","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539817","5.959","","5.959","","11.664","","90","","90","","120","","358.695","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Fe.92 Co.08 S","","- Co0.08 Fe0.92 S -","- Co0.08 Fe0.92 S -","- Co0.96 Fe11.04 S12 -","12","1","","Collin, G.; Gardette, M.F.; Comes, R.","The Fe1-x Cox S system (X<0.25); transition and the high temperature phase","Journal of Physics and Chemistry of Solids","1987","48","","791","802","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539927","6.345","","6.345","","14.82","","90","","90","","120","","516.704","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Cs3 Fe2 F9","","- Cs3 F9 Fe2 -","- Cs3 F9 Fe2 -","- Cs6 F18 Fe4 -","2","0.166667","","Wall, F.; Pausewang, G.; Babel, D.","Die Kristallstruktur von Cs2 Fe2 F9 : Ein Zweikerniger Fluorokomplex","Journal of the Less-Common Metals","1971","25","","257","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","169017","2020-10-21","18:00:00",""
"1540752","8.057","","8.057","","5.84","","90","","90","","120","","328.315","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","(Ag (N H3)3) (N O3)","","- Ag H9 N4 O3 -","- Ag N4 O3 -","- Ag2 N8 O6 -","2","0.166667","","Zachwieja, U.; Jacobs, H.","Kolumnarstrukturen bei Tri- und Diamminnitraten, (M (N H3)3) (N O3) und (M (N H3)2) (N O3) des einwertigen Kupfers und Silbers","Zeitschrift fuer Anorganische und Allgemeine Chemie","1989","571","","37","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541985","9.22","","9.22","","7.38","","90","","90","","120","","543.311","","","","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","Cu (N H3)2 Ag (S C N)3","","- C3 H6 Ag Cu N5 S3 -","- C3 Ag Cu N5 S3 -","- C6 Ag2 Cu2 N10 S6 -","2","0.166667","","Huang, J.-L.; Li, J.M.; Lu, J.-X.","The crystal chemistry of thiocyanate-ligated compounds of transition metals. I. The crystal structure of di-ammine complex of copper(II) silver(I) trithiocyanate Cu (N H3)2 Ag (S C N)3","Acta Chimica Sinica (see: Hua Hsueh Hsueh Pao)","1966","32","","162","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1543194","16.9152","0.0002","16.9152","0.0002","31.3646","0.0006","90","","90","","120","","7771.9","0.2","150","0.2","150","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C106 H210 Gd7 N8 O45 -","- C106 H209.999 Gd7 N8 O45 -","- C212 H419.999 Gd14 N16 O90 -","2","0.166667","","Pineda, Eufemio Moreno; Lorusso, Giulia; Zangana, Karzan H.; Palacios, Elias; Schnack, Jürgen; Evangelisti, Marco; Winpenny, Richard E. P.; McInnes, Eric J. L.","Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet","Chem. Sci.","2016","7","8","4891","","10.1039/C6SC01415A","","x-ray","0.71073","MoKα","","0.0355","0.031","","","0.0637","0.0672","","","","","","1.096","","","","has coordinates,has disorder","185157","2020-10-21","18:00:00",""
"1548855","19.559","0.003","19.559","0.003","41.863","0.006","90","","90","","120","","13869","4","173","2","173","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C225 H333 Al9 N18 O18 -","- C225 H331.5 Al9 N18 O18 -","- C450 H663 Al18 N36 O36 -","2","0.166667","","Pang, Xuan; Duan, Ranlong; Li, Xiang; Hu, Chenyang; Wang, Xianhong; Chen, Xuesi","Breaking the Paradox between Catalytic Activity and Stereoselectivity: rac-Lactide Polymerization by Trinuclear Salen‒Al Complexes","Macromolecules","2018","51","3","906","","10.1021/acs.macromol.7b02662","","","1.54178","CuKα","","0.1773","0.1508","","","0.365","0.3896","","","","","","1.001","","","","has coordinates,has disorder","227642","2020-10-21","18:00:00",""
"1551167","22.67","0.003","22.67","0.003","16.778","0.003","90","","90","","120","","7467.5","1.9","153","2","153","2","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C41 H40 O16 -","- C33 H24 O12 -","- C198 H144 O72 -","6","0.5","","Zhou, Yue; Kan, Liang; Eubank, Jarrod F.; Li, Guanghua; Zhang, Lirong; Liu, Yunling","Self-assembly of two robust 3D supramolecular organic frameworks from a geometrically non-planar molecule for high gas selectivity performance","Chemical Science","2019","","","","","10.1039/C9SC00290A","","","0.71073","MoKα","","0.0897","0.0726","","","0.2186","0.236","","","","","","1.112","","","","has coordinates,has disorder","215593","2020-10-21","18:00:00",""
"1551368","24.7578","0.0002","24.7578","0.0002","41.4172","0.001","90","","90","","120","","21985.5","0.6","120","2","120","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C188 H168 Co4 F24 N34 O24 S8 -","- C171.5 H143.997 Co4 F22.5 N28 O22.5 S7.5 -","- C686 H575.988 Co16 F90 N112 O90 S30 -","4","0.333333","","Imogen A. Riddell; Maarten M. J. Smulders; Jack K. Clegg; Yana R. Hristova; Boris Breiner; John D. Thoburn; Jonathan R. Nitschke","Anion-induced reconstitution of a self-assembling system to express a chloride-binding Co10L15 pentagonal prism","Nature Chemistry","2012","4","","751","756","10.1038/nchem.1407","","","1.54178","CuKα","","0.1226","0.1027","","","0.2835","0.3019","","","","","","1.113","","","","has coordinates","287876","2023-11-30","07:26:55",""
"1563653","6.2252","0.0001","6.2252","0.0001","32.5155","0.001","90","","90","","120","","1091.26","0.04","173","2","173","2","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Cu5 O30 Ta11 -","- Cu4.98 O30 Ta11 -","- Cu9.96 O60 Ta22 -","2","0.166667","","Palasyuk, Olena; Palasyuk, Andriy; Maggard, Paul A.","Syntheses, optical properties and electronic structures of copper(I) tantalates: Cu5Ta11O30 and Cu3Ta7O19","Journal of Solid State Chemistry","2010","183","4","814","822","10.1016/j.jssc.2010.01.030","","","0.71073","MoKα","","0.0404","0.0269","","","0.0488","0.0518","","","","","","1.096","","","","has coordinates","266634","2021-06-23","08:51:39",""
"1564912","12.6391","0.0008","12.6391","0.0008","18.3551","0.0014","90","","90","","120","","2539.3","0.3","150","","150","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C33 H33 B F4 Fe3 N3 O16 -","- C33 H24 B0.9999 F3.9996 Fe3 N3 O16 -","- C66 H48 B1.9998 F7.9992 Fe6 N6 O32 -","2","0.166667","","Bara, Dominic; Meekel, Emily G.; Pakamorė, Ignas; Wilson, Claire; Ling, Sanliang; Forgan, Ross S.","Exploring and expanding the Fe-terephthalate metal-organic framework phase space by coordination and oxidation modulation.","Materials horizons","2021","8","12","3377","3386","10.1039/d1mh01663f","","","0.71073","MoKα","","0.0562","0.0551","","","0.1384","0.139","","","","","","1.181","","","","has coordinates,has disorder","271237","2021-12-07","04:03:54",""
"2002691","6.021","0.001","6.021","0.001","17.37398","0.003","90","","90","","120","","545.5","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Tribarium diplatinum diplatinum(V) mercury oxide","","- Ba3 Hg O11 Pt4 -","- Ba3 Hg0.999 O10.998 Pt4.001 -","- Ba6 Hg1.998 O21.996 Pt8.002 -","2","0.166667","","Hansen, Th; Mueller-Buschbaum, Hk","Ein Beitrag ueber Ba3 Pt4 Hg O11: das erste Erdalkalimetall- Oxoplatinat(II,V)/Oxomercurat","Zeitschrift fuer Anorganische und Allgemeine Chemie","1994","620","","1471","1475","10.1002/zaac.19946200825","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2003439","9.012","0.001","9.012","0.001","8.027","0.001","90","","90","","120","","564.58","0.11","293","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- K3 Nb3 O13 Si2 -","- K3 Nb3 O13 Si2 -","- K6 Nb6 O26 Si4 -","2","0.166667","DU1095","Jaulmes, S.; Launay, S.; Mahé, P.; Quarton, M.","Silicatoniobate de Potassium, K~3~Nb~3~O~6~Si~2~O~7~","Acta Crystallographica Section C","1995","51","5","794","796","10.1107/S0108270194012114","","","0.71073","MoKα","","","0.045","","","0.061","","","","","0.8","0.8","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2007207","9.295","0.001","9.295","0.001","17.689","0.003","90","","90","","120","","1323.5","0.3","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Tri-aquo-tris-(oxydiacetate) (europium(III) lanthanum(III))-pentahydrate","","- C12 H28 Eu La O23 -","- C12 H12 Eu La O22.98 -","- C24 H24 Eu2 La2 O45.96 -","2","0.166667","BK1364","Baggio, Ricardo; Garland, Maria Teresa; Perec, Mireille","Triaquatris(μ-oxydiacetato)europium(III)lanthanum(III) Pentahydrate","Acta Crystallographica Section C","1998","54","5","591","594","10.1107/S0108270197017356","","","0.71073","MoKα","","0.0267","0.023","","0.065","0.0632","","","","1.09","1.11","1.11","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2007711","13.196","0.002","13.196","0.002","7.943","0.003","90","","90","","120","","1197.8","0.5","183","","183","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Potassium pentasilver trisulfide","","- Ag5 K S3 -","- Ag5 K S3 -","- Ag30 K6 S18 -","6","0.5","BR1202","Emirdag, Mehtap; Schimek, George L.; Kolis, Joseph W.","KAg~5~S~3~","Acta Crystallographica Section C","1998","54","10","1376","1378","10.1107/S0108270198003680","","","0.71073","MoKα","","0.084","0.062","","0.069","0.04","","","","","2.71","2.71","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2010690","9.4003","0.0012","9.4003","0.0012","17.35","0.004","90","","90","","120","","1327.7","0.4","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","Praseodimium oxydiacetate","","- C12 H28 O23 Pr2 -","- C12 H12 O22.998 Pr2 -","- C24 H24 O45.996 Pr4 -","2","0.166667","BK1511","Baggio, Ricardo; Perec, Mireille; Garland, Maria Teresa","Triaquatris(μ-oxydiacetato)dipraseodymium(III) pentahydrate and hexaaquatris(μ-oxydiacetato)dineodymium(III) oxydiacetic acid solvate dihydrate","Acta Crystallographica Section C","2000","56","3","312","315","10.1107/S0108270199015851","","","0.71073","MoKα","","0.032","0.02","","","","0.059","","","","","","1.083","","","","has coordinates","176760","2020-10-21","18:00:00",""
"2013740","9.4316","0.0007","9.4316","0.0007","8.3595","0.0008","90","","90","","120","","643.99","0.09","297","2","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","rubidium grimselite","rubidium sodium uranyl tricarbonate hydrate","","- C3 H Na O11.5 Rb3 U -","- C3 Na O11.5 Rb3 U -","- C6 Na2 O23 Rb6 U2 -","2","0.166667","BC1032","Hughes Kubatko, Karrie-Ann; Burns, Peter C.","The Rb analogue of grimselite, Rb~6~Na~2~[(UO~2~)(CO~3~)~3~]~2~(H~2~O)","Acta Crystallographica Section C","2004","60","3","i25","i26","10.1107/S0108270103028312","","","0.71073","MoKα","","","0.034","","","","0.085","","","","","","0.967","","","","has coordinates,has disorder,has Fobs","283803","2023-05-16","08:05:52",""
"2019524","4.7988","0.0001","4.7988","0.0001","9.7802","0.0002","90","","90","","120","","195.049","0.007","299","2","299","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","Distrontium europium diboron disilicon dialiminium octanitride","","- Al1.88 B1.76 Eu0.1 N8.12 Si2.36 Sr1.9 -","- Al1.88 B1.76 Eu0.102 N8.12 Si2.36 Sr1.898 -","- Al1.88 B1.76 Eu0.102 N8.12 Si2.36 Sr1.898 -","1","0.0833333","QS3038","Funahashi, Shiro; Michiue, Yuichi; Takeda, Takashi; Xie, Rong-Jun; Hirosaki, Naoto","Substitutional disorder in Sr~2{-~<i>y</i>}Eu~<i>y~</i>B~2{-~2<i>x</i>}Si~2+3<i>x~</i>Al~2{-~<i>x</i>}N~8+<i>x~</i> (<i>x</i> ≃0.12, <i>y</i> ≃0.10)","Acta Crystallographica Section C","2014","70","5","452","454","10.1107/S2053229614007414","","","0.71073","MoKα","","0.022","0.0177","","","0.0371","0.0379","","","","","","1.16","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2021638","9.0318","0.0005","9.0318","0.0005","32.6499","0.0013","90","","90","","120","","2306.5","0.2","293","","293","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Octadecalanthanum decatungsten heptapentacontaoxide","","- La18 O57 W10 -","- La18 O57 W10 -","- La36 O114 W20 -","2","0.166667","SK3724","Novikova, Nataliya E.; Sorokin, Timofei A.; Antipin, Alexander M.; Bolotina, Nadezhda B.; Alekseeva, Olga A.; Sorokina, Nataliya I.; Voronkova, Valentina I.","Characteristic features of polytypism in compounds with the La~18~W~10~O~57~-type structure","Acta Crystallographica Section C","2019","75","6","","","10.1107/S2053229619006107","","x-ray","0.71069","MoKα","","0.024","0.0237","","","0.0333","0.0334","","","","2.09","2.09","2.09","","","","has coordinates,has Fobs","215391","2020-10-21","18:00:00",""
"2106976","4.5961","","4.5961","","8.93","","90","","90","","120","","163.366","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sr Be3 O4","","- Be3 O4 Sr -","- Be3 O4 Sr -","- Be6 O8 Sr2 -","2","0.166667","","Harris, L.A.; Yakel, H.L.jr.","The Crystal Structure of Sr Be3 O4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1647","1651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2209513","13.1386","0.0012","13.1386","0.0012","21.63","0.003","90","","90","","120","","3233.6","0.6","173","2","173","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C30 H33 Br2 Fe N6 O4.5 -","- C30 H24 Br2 Fe N6 O4.5 -","- C120 H96 Br8 Fe4 N24 O18 -","4","0.333333","HB2074","Heilmann, Julia; Lerner, Hans-Wolfram; Bolte, Michael","Tris(2,2'-bipyridyl)iron(II) dibromide 4.5-hydrate","Acta Crystallographica Section E","2006","62","7","m1477","m1478","10.1107/S1600536806020903","","","0.71073","MoKα","","0.1214","0.1008","","","0.2605","0.2829","","","","","","1.145","","","","has coordinates,has disorder,has Fobs","176435","2020-10-21","18:00:00",""
"2212460","11.8038","0.0014","11.8038","0.0014","6.3881","0.0007","90","","90","","120","","770.81","0.15","140","2","140","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","catena-poly[[sodium(I)-tri-μ-dimethylformamide-κ^6^O:O] iodide]","","- C9 H21 I N3 Na O3 -","- C9 H21 I N3 Na O3 -","- C18 H42 I2 N6 Na2 O6 -","2","0.166667","BI2152","Chessa, Simona; Wright, Joseph A.","Redetermination of <i>catena</i>-poly[[sodium(I)-tri-μ-dimethylformamide-κ^6^<i>O</i>:<i>O</i>] iodide] at 140 K","Acta Crystallographica Section E","2007","63","3","m787","m789","10.1107/S1600536807007052","","","0.71073","MoKα","","0.0252","0.0205","","","0.0317","0.0324","","","","","","1.008","","","","has coordinates,has Fobs","176787","2020-10-21","18:00:00",""
"2230974","8.5405","0.0005","8.5405","0.0005","10.8094","0.0009","90","","90","","120","","682.81","0.08","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","tricalcium manganese bis(sulfate) hexahydroxide trihydrate","","- Ca3 H12 Mn O17 S2 -","- Ca3 H12 Mn O17 S2 -","- Ca6 H24 Mn2 O34 S4 -","2","0.166667","WM2518","Barkley, Madison C.; Yang, Hexiong; Evans, Stanley H.; Downs, Robert T.; Origlieri, Marcus J.","Redetermination of despujolsite, Ca~3~Mn^4+^(SO~4~)~2~(OH)~6~.3H~2~O","Acta Crystallographica, Section E","2011","67","9","i47","i48","10.1107/S1600536811030911","","","0.71073","MoKα","","0.0312","0.0235","","","0.0459","0.048","","","","","","1.06","","","","has coordinates,has Fobs","176798","2020-10-21","18:00:00",""
"2240468","6.6585","0.0013","6.6585","0.0013","9.962","0.003","90","","90","","120","","382.5","0.16","105","","105","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","Octadecanickel dodecagermanide","","- Ge11.87 Ni18.06 -","- Ge11.868 Ni18.064 -","- Ge11.868 Ni18.064 -","1","0.0833333","RU2062","Kars, Mohammed; Herrero, Adrian Gómez; Roisnel, Thierry; Rebbah, Allaoua; Otero-Diáz, L. Carlos","Structure cristalline du composé intermétallique Ni~18~Ge~12~","Acta Crystallographica Section E","2015","71","3","318","320","10.1107/S2056989015003680","","","0.71073","MoKα","","0.1119","0.0622","","","0.0735","0.0905","","","","","","1.26","","","","has coordinates,has Fobs","176809","2020-10-21","18:00:00",""
"4000947","10.26904","0.00033","10.26904","","8.4729","0.0004","90","","90","","120","","773.79","0.04","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 O13.5 Ta3 -","- Ba6 O13.5 Ta3 -","- Ba12 O27 Ta6 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Macquart, René B.; Hoelzel, Markus","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Ta2O9","Chemistry of Materials","2010","22","2","532","","10.1021/cm903170t","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001052","10.3829","0.0006","10.3829","","8.5722","0.0008","90","","90","","120","","800.31","0.09","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ba6 Nb3 O13.5 -","- Ba6 Nb3 O13.5 -","- Ba12 Nb6 O27 -","2","0.166667","","Ling, Chris D.; Avdeev, Maxim; Kutteh, Ramzi; Kharton, Vladislav V.; Yaremchenko, Aleksey A.; Fialkova, Svitlana; Sharma, Neeraj; Macquart, René B; Hoelzel, Markus; Gutmann, Matthias","Structures, Phase Transitions, Hydration, and Ionic Conductivity of Ba4Nb2O9","Chemistry of Materials","2009","21","16","3853","","10.1021/cm901644e","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001450","7.524","0.0011","7.524","0.0011","14.746","0.003","90","","90","","120","","722.9","0.2","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C8 H30 Al4 Ge6 N6 O20 -","- C7.96 Al4.028 Ge5.972 N6.02 O20 -","- C7.96 Al4.028 Ge5.972 N6.02 O20 -","1","0.0833333","","Shi, Lei; Christensen, Kirsten E.; Jansson, Kjell; Sun, Junliang; Zou, Xiaodong","Synthesis and Characterization of an Aluminogermanate SU-46 with a Zeolite Structure","Chemistry of Materials","2007","19","24","5973","","10.1021/cm071790f","","","0.71073","MoKα","","0.0315","0.0251","","","0.0636","0.0647","","","","","","1.062","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002170","6.2359","0.0002","6.2359","0.0002","32.2139","0.0005","90","","90","","120","","1084.86","0.05","298","","298","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Cu3.2 O30 Ta11 -","- Cu3.192 O30 Ta11 -","- Cu6.384 O60 Ta22 -","2","0.166667","","Sullivan, Ian; Sahoo, Prangya P.; Fuoco, Lindsay; Hewitt, Andrew S.; Stuart, Sean; Dougherty, Daniel; Maggard, Paul A.","Cu-Deficiency in thep-Type Semiconductor Cu5‒xTa11O30: Impact on Its Crystalline Structure, Surfaces, and Photoelectrochemical Properties","Chemistry of Materials","2014","26","23","6711","","10.1021/cm502891t","powder diffraction","","1.54187","CuKα","","0.0396","0.0391","","","0.0256","0.0256","","","","","","1.88","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4003609","16.4279","0.0009","16.4279","0.0009","21.9721","0.0019","90","","90","","120","","5135.3","0.6","150","2","150","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C66 H57 Cl2 F3 O20 Zr6 -","- C66 H57 Cl2.0001 F3 O20 Zr6 -","- C132 H114 Cl4.0002 F6 O40 Zr12 -","2","0.166667","","Gosselin, Eric J.; Decker, Gerald E.; McNichols, Brett W.; Baumann, James E.; Yap, Glenn P. A.; Sellinger, Alan; Bloch, Eric D.","Ligand-Based Phase Control in Porous Zirconium Coordination Cages","Chemistry of Materials","2020","","","","","10.1021/acs.chemmater.0c01965","","","1.54178","CuKα","","0.0898","0.0885","","","0.2477","0.2514","","","","","","1.277","","","","has coordinates,has disorder","253527","2020-10-21","18:00:00",""
"4030716","9.642","0.002","9.642","0.002","8.104","0.002","90","","90","","120","","652.5","0.3","","","293","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- O9 Ru2 Sr4 -","- O9 Ru2 Sr4 -","- O27 Ru6 Sr12 -","3","0.25","","Dussarrat, C.; Fompeyrine, J.; Darriet, J.","Sr4Ru2O9: A structural model resulting from the stacking of [Sr3O9] and [Sr3O6] mixed layers. Structural relationships to related perovskite-type structures","European Journal of Solid State and Inorganic Chemistry","1995","32","","3","14","","","x-ray","0.71073","MoKα","","","0.037","","","0.066","","","","","","","","","","","has coordinates","178486","2020-10-21","18:00:00",""
"4030938","3.0626","0.0002","3.0626","0.0002","11.3996","0.0007","90","","90","","120","","92.598","0.01","","","293","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- O4 Rh2 Sr -","- O4 Rh2 Sr0.97 -","- O4 Rh2 Sr0.97 -","1","0.0833333","","Hector, A. L.; Levason, W.; Weller, M. T.","Structure of β-SrRh~2~O~4~ from X-ray and neutron powder diffraction","European Journal of Solid State and Inorganic Chemistry","1998","35","10-11","679","687","10.1016/S0992-4361(99)80008-3","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","","","","","","","","","has coordinates","182190","2020-10-21","18:00:00",""
"4038945","13.3732","0.0007","13.3732","0.0007","10.8212","0.0007","90","","90","","120","","1676.01","0.16","150","","150","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19 -nonaene-4,5,11,12,17,18-hexol unknown solvate","","- C20 H14 O6 -","- C20 H14 O6 -","- C40 H28 O12 -","2","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids.","The Journal of organic chemistry","2018","83","24","15426","15437","10.1021/acs.joc.8b02706","","x-ray","1.34139","GaKα","","0.0493","0.0488","","","0.1623","0.1635","","","","","","1.131","","","","has coordinates,has disorder,has Fobs","260362","2021-01-02","03:47:05",""
"4085240","25.36","0.004","25.36","0.004","11.528","0.002","90","","90","","120","","6420.7","1.8","123","2","123","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C6 H60 B66 Cs5.96 Hg3 I6 -","- C6 H60 B66 Cs5.96 Hg3 I6 -","- C12 H120 B132 Cs11.92 Hg6 I12 -","2","0.166667","","Himmelspach, Alexander; Warneke, Jonas; Schäfer, Marius; Hailmann, Michael; Finze, Maik","Salts of the Dianions [Hg(12-X-closo-1-CB11H10)2]2‒(X = I, C≡CH, C≡CFc, C≡CSiiPr3): Synthesis and Spectroscopic and Structural Characterization","Organometallics","2015","34","2","462","","10.1021/om5009956","","","0.71073","MoKα","","0.0536","0.0431","","","0.1125","0.1154","","","","","","1.04","","","","has coordinates","178741","2020-10-21","18:00:00",""
"4110344","14.2165","0.0008","14.2165","0.0008","21.748","0.002","90","","90","","120","","3806.6","0.5","293","2","293","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","[Cd7(C5HN2O4)6].Na4.(H2O)7.(C10H8N2)3","","","- C60 H44 Cd7 N18 Na4 O31 -","- C60 H30 Cd7 N18 Na3.98 O31 -","- C120 H60 Cd14 N36 Na7.96 O62 -","2","0.166667","","Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen","Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls","Journal of the American Chemical Society","2006","128","","34","35","10.1021/ja0567337","","","0.71073","MoKα","","0.072","0.0534","","","0.1432","0.1598","","","","","","1.081","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4110345","14.3027","0.001","14.3027","0.001","21.493","0.003","90","","90","","120","","3807.7","0.7","293","2","293","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","[Cd7(C5HN2O4)6].K3.(H2O)6.(C16H36N)","","","- C46 H54 Cd7 K3 N13 O30 -","- C45.96 H6 Cd7 K3 N13 O30 -","- C91.92 H12 Cd14 K6 N26 O60 -","2","0.166667","","Wen-Guan Lu; Cheng-Yong Su; Tong-Bu Lu; Long Jiang; Jia-Mei Chen","Two Stable 3D Metal-Organic Frameworks Constructed by Nanoscale Cages via Sharing the Single-Layer Walls","Journal of the American Chemical Society","2006","128","","34","35","10.1021/ja0567337","","","0.71073","MoKα","","0.0657","0.0551","","","0.1434","0.1551","","","","","","1.027","","","","has coordinates,has disorder","178874","2020-10-21","18:00:00",""
"4119354","24.581","0.005","24.581","0.005","41.33","0.011","90","","90","","120","","21627","8","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C200.5 H210.75 F24 N30.25 Ni4 O30 S8 -","- C176.5 H150.75 F23.9998 N30.25 Ni4 O23.9998 S7.99995 -","- C706 H603 F95.9994 N121 Ni16 O95.9994 S31.9998 -","4","0.333333","","Imogen A. Riddell; Yana R. Hristova; Jack K. Clegg; Christopher S. Wood; Boris Breiner; Jonathan R. Nitschke","Five Discrete Multinuclear Metal-Organic Assemblies from One Ligand: Deciphering the Effects of Different Templates","Journal of the American Chemical Society","2013","135","","2723","2733","10.1021/ja311285b","","","0.6889","synchrotron","","0.1009","0.0989","","","0.2713","0.274","","","","","","1.066","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4120118","18.1997","0.0008","18.1997","0.0008","20.0204","0.001","90","","90","","120","","5742.9","0.5","296","2","296","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C63 H51 Co2 In3 N6 O37 -","- C63 H51 Co2 In3 N6 O37 -","- C126 H102 Co4 In6 N12 O74 -","2","0.166667","","Shou-Tian Zheng; Xiang Zhao; Samuel Lau; Addis Fuhr; Pingyun Feng; Xianhui Bu","Entrapment of Metal Clusters in Metal-Organic Framework Channels by Extended Hooks Anchored at Open Metal Sites","Journal of the American Chemical Society","2013","135","","10270","10273","10.1021/ja4044642","","","0.71073","MoKα","","0.0567","0.038","","","0.0979","0.1039","","","","","","0.943","","","","has coordinates","178978","2020-10-21","18:00:00",""
"4126518","8.5229","0.0019","8.5229","0.0019","7.178","0.002","90","","90","","120","","451.55","0.19","100","0.1","100","0.1","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C Na O P -","- C Na O P -","- C6 Na6 O6 P6 -","6","0.5","","Hennersdorf, Felix; Frötschel, Julia; Weigand, Jan J.","Selective Derivatization of a Hexaphosphane from Functionalization of White Phosphorus.","Journal of the American Chemical Society","2017","","","","","10.1021/jacs.7b07704","","x-ray","0.71073","MoKα","","0.0869","0.0755","","","0.2004","0.2103","","","","","","1.185","","","","has coordinates","201609","2020-10-21","18:00:00",""
"4127833","37.888","0.002","37.888","0.002","54.616","0.004","90","","90","","120","","67898","7","250","2","250","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C110 H62 O12 -","- C110 H62 O12 -","- C660 H372 O72 -","6","0.5","","Li, Penghao; Chen, Zhijie; Ryder, Matthew R.; Stern, Charlotte L.; Guo, Qing-Hui; Wang, Xingjie; Farha, Omar K.; Stoddart, J. Fraser","Assembly of a Porous Supramolecular Polyknot from Rigid Trigonal Prismatic Building Blocks.","Journal of the American Chemical Society","2019","141","33","12998","13002","10.1021/jacs.9b06445","","","1.54178","CuKα","","0.0734","0.0376","","","0.1009","0.1319","","","","","","0.641","","","","has coordinates,has disorder","221005","2020-10-21","18:00:00",""
"4130656","31.718","0.0015","31.718","0.0015","17.1352","0.0009","90","","90","","120","","14929","1.3","250","","250","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C188 H97.5 In9 N1.5 O46.5 -","- C187.999 H97.5 In9 N1.5 O46.5 -","- C375.998 H195 In18 N3 O93 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.0777","0.0649","","","0.1825","0.1939","","","","","","1.14","","","","has coordinates","241048","2020-10-21","18:00:00",""
"4130657","31.8903","0.0007","31.8903","0.0007","17.1915","0.0005","90","","90","","120","","15141.2","0.6","250","","250","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C168 H90 In9 O48 -","- C168 H90 In9 O48 -","- C336 H180 In18 O96 -","2","0.166667","","Reinares-Fisac, Daniel; Aguirre-Díaz, Lina María; Iglesias, Marta; Snejko, Natalia; Gutiérrez-Puebla, Enrique; Monge, M Ángeles; Gándara, Felipe","A Mesoporous Indium Metal-Organic Framework: Remarkable Advances in Catalytic Activity for Strecker Reaction of Ketones.","Journal of the American Chemical Society","2016","138","29","9089","9092","10.1021/jacs.6b05706","","","1.54178","CuKα","","0.1607","0.0961","","","0.2409","0.3034","","","","","","1.006","","","","has coordinates,has disorder","241049","2020-10-21","18:00:00",""
"4130927","13.636","0.001","13.636","0.001","14.9222","0.0013","90","","90","","120","","2402.9","0.3","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Ag In3 N3 O16 -","- C21 H9 Ag In3 N3 O16 -","- C42 H18 Ag2 In6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0436","0.0404","","","0.1209","0.1248","","","","","","1.195","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4130928","13.1696","0.0012","13.1696","0.0012","14.7973","0.0017","90","","90","","120","","2222.6","0.4","174","2","174","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C21 H9 Cu Mg3 N3 O16 -","- C21 H9 Cu Mg3 N3 O16 -","- C42 H18 Cu2 Mg6 N6 O32 -","2","0.166667","","Zhao, Xiang; Bu, Xianhui; Nguyen, Edward T.; Zhai, Quan-Guo; Mao, Chengyu; Feng, Pingyun","Multivariable Modular Design of Pore Space Partition.","Journal of the American Chemical Society","2016","138","46","15102","15105","10.1021/jacs.6b07901","","","0.71073","MoKα","","0.0592","0.0518","","","0.1504","0.1577","","","","","","1.084","","","","has coordinates","241266","2020-10-21","18:00:00",""
"4131504","9.821","0.002","9.821","0.002","8.2067","0.0016","90","","90","","120","","685.5","0.2","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C6 H14 I3 N2 Rb -","- C6 H14 I3 N2 Rb -","- C12 H28 I6 N4 Rb2 -","2","0.166667","","Zhang, Wan-Ying; Tang, Yuan-Yuan; Li, Peng-Fei; Shi, Ping-Ping; Liao, Wei-Qiang; Fu, Da-Wei; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen","Precise Molecular Design of High-T<sub>c</sub> 3D Organic-Inorganic Perovskite Ferroelectric: [MeHdabco]RbI<sub>3</sub> (MeHdabco = N-Methyl-1,4-diazoniabicyclo[2.2.2]octane).","Journal of the American Chemical Society","2017","139","31","10897","10902","10.1021/jacs.7b06013","","","0.71073","MoKα","","0.0284","0.0279","","","0.0609","0.0611","","","","","","1.052","","","","has coordinates","241695","2020-10-21","18:00:00",""
"4301648","12.861","0.002","12.861","0.002","8.4402","0.0008","90","","90","","120","","1209","0.3","293","2","293","2","","","","","","","","2","P -6 2 c","P -6c -2c","190","Sm Ga2.67","samarium-gallium","","- Ga2.83 Sm1.06 -","- Ga2.8236 Sm1.0588 -","- Ga42.354 Sm15.882 -","15","1.25","","Monique Tillard; David Zitoun; Claude Belin","Structural Versatility of the ε-SmGax Phase: X-Ray, Electron Diffraction, and DFT Studies","Inorganic Chemistry","2009","48","","2399","2406","10.1021/ic801379c","","x-ray","0.71073","MoKα","","0.0884","0.054","","","0.1759","0.1943","","","","","","1.131","","","","has coordinates","179054","2020-10-21","18:00:00",""
"4304912","16.8442","0.0016","16.8442","0.0016","34.778","0.007","90","","90","","120","","8545","2","110","2","110","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C117 H75 Cl5 N6 O52 P6 V12 -","- C117 H78 Cl5 N6 O52 P6 V12 -","- C234 H156 Cl10 N12 O104 P12 V24 -","2","0.166667","","Sanjit Konar; Abraham Clearfield","Mixed-Valent Dodecanuclear Vanadium Cluster Encapsulating Chloride Anions and Its Reaction To Form a ""Bowl""-Shaped Cluster","Inorganic Chemistry","2008","47","","3492","3494","10.1021/ic800013f","","","0.71073","MoKα","","0.0735","0.0632","","","0.1809","0.1976","","","","","","1.186","","","","has coordinates","179087","2020-10-21","18:00:00",""
"4305090","9.5389","0.0005","9.5389","0.0005","8.3389","0.0009","90","","90","","120","","657.11","0.09","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- K3 O13 Si2 U3 -","- K3 O13 Si2 U3 -","- K6 O26 Si4 U6 -","2","0.166667","","Chia-Hui Lin; Chih-Shan Chen; A. A. Shiryaev; Ya. V. Zubavichus; Kwang-Hwa Lii","K3(U3O6)(Si2O7) and Rb3(U3O6)(Ge2O7): A Pentavalent-Uranium Silicate and Germanate","Inorganic Chemistry","2008","47","","4445","4447","10.1021/ic800300v","","","0.71073","MoKα","","0.0308","0.0247","","","0.0542","0.0564","","","","","","1.084","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4305091","9.8014","0.0003","9.8014","0.0003","8.4198","0.0004","90","","90","","120","","700.5","0.05","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- Ge2 O13 Rb3 U3 -","- Ge2 O13 Rb3 U3 -","- Ge4 O26 Rb6 U6 -","2","0.166667","","Chia-Hui Lin; Chih-Shan Chen; A. A. Shiryaev; Ya. V. Zubavichus; Kwang-Hwa Lii","K3(U3O6)(Si2O7) and Rb3(U3O6)(Ge2O7): A Pentavalent-Uranium Silicate and Germanate","Inorganic Chemistry","2008","47","","4445","4447","10.1021/ic800300v","","","0.71073","MoKα","","0.0228","0.0214","","","0.0528","0.0532","","","","","","0.992","","","","has coordinates","179088","2020-10-21","18:00:00",""
"4311826","16.474","0.002","16.474","0.002","20.244","0.004","90","","90","","120","","4758","1.2","293","2","293","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C81 H81 Cl3 Cu3 Mn3 N15 O32 -","- C81 H81 Cl3 Cu3 Mn3 N15 O32 -","- C162 H162 Cl6 Cu6 Mn6 N30 O64 -","2","0.166667","","Mirela Pascu; Francesc Lloret; Narcis Avarvari; Miguel Julve; Marius Andruh","Ferromagnetic Coupling through Spin Polarization in the Hexanuclear [MnII3CuII3] Complex","Inorganic Chemistry","2004","43","","5189","5191","10.1021/ic0493651","","","0.71073","MoKα","","0.1468","0.0546","","","0.0899","0.113","","","","","","0.808","","","","has coordinates","179157","2020-10-21","18:00:00",""
"4327495","9.0448","0.0001","9.0448","0.0001","32.6846","0.0003","90","","90","","120","","2315.64","0.04","293","2","293","2","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- La18 O57 W10 -","- La18 O57 W10 -","- La36 O114 W20 -","2","0.166667","","Chambrier, M H; Le Bail, A; Kodjikian, S; Suard, E; Goutenoire, F","Structure Determination of La18W10O57","Inorganic Chemistry","2009","48","","6566","6572","10.1021/ic9005482","","","","","","","","","","","","","","","","","","","","","has coordinates","179377","2020-10-21","18:00:00",""
"4329281","20.282","0.006","20.282","0.006","13.339","0.004","90","","90","","120","","4752","2","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C36 H84.24 Dy N9 O36.12 Zn6 -","- C36 H84 Dy N9 O36.12 Zn6 -","- C72 H168 Dy2 N18 O72.24 Zn12 -","2","0.166667","","George J. Sopasis; Angelos B. Canaj; Aggelos Philippidis; Milosz Siczek; Tadeusz Lis; James R. O'Brien; Manolis M. Antonakis; Spiros A. Pergantis; Constantinos J. Milios","Heptanuclear Heterometallic [Cu6Ln] Clusters: Trapping Lanthanides into Copper Cages with Artificial Amino Acids","Inorganic Chemistry","2012","51","","5911","5918","10.1021/ic300538q","","","0.71073","MoKα","","0.0563","0.0449","","","0.1177","0.1224","","","","","","1.099","","","","has coordinates,has disorder","179395","2020-10-21","18:00:00",""
"4332004","13.1198","0.0004","13.1198","0.0004","13.6007","0.0007","90","","90","","120","","2027.43","0.14","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C9 H24 Cd5 N46 O6 -","- C9 H15 Cd5 N46 O6 -","- C18 H30 Cd10 N92 O12 -","2","0.166667","","He, Xiang; Lu, Can-Zhong; Yuan, Da-Qiang","Two 3D Porous Cadmium Tetrazolate Frameworks with Hexagonal Tunnels","Inorganic Chemistry","2006","45","15","5760","5766","10.1021/ic0520162","","","0.71073","MoKα","","0.0239","0.0237","","","0.057","0.0572","","","","","","1.027","","","","has coordinates","179423","2020-10-21","18:00:00",""
"4332825","6.9238","0.0011","6.9238","0.0011","8.491","0.003","90","","90","","120","","352.52","0.15","120","2","120","2","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","","- Ge5 Sm3 -","- Ge5 Sm3 -","- Ge10 Sm6 -","2","0.166667","","Tobash, Paul H.; Lins, Daniel; Bobev, Svilen; Hur, Namjung; Thompson, Joe D.; Sarrao, John L.","Vacancy Ordering in SmGe2-xand GdGe2-x(x= 0.33): Structure and Properties of Two Sm3Ge5Polymorphs and of Gd3Ge5","Inorganic Chemistry","2006","45","18","7286","7294","10.1021/ic060913f","","","0.71073","MoKα","","0.0215","0.0162","","","0.0366","0.0382","","","","","","1.125","","","","has coordinates","179431","2020-10-21","18:00:00",""
"4334876","15.6681","0.0008","15.6681","0.0008","13.2867","0.0008","90","","90","","120","","2824.8","0.3","100","2","100","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C63 H57 F6 N3 P Pt3 S3 Tl -","- C63 H57 F5.96 N3 P Pt3 S3 Tl -","- C126 H114 F11.92 N6 P2 Pt6 S6 Tl2 -","2","0.166667","","Úrsula Belío; Sara Fuertes; Antonio Martín","Synthesis and Characterization of a ""Pt3Tl"" Cluster Containing an Unprecedented Trigonal Environment for Thallium(I)","Inorganic Chemistry","2013","52","","5627","5629","10.1021/ic400167w","","","0.71073","MoKα","","0.0341","0.0331","","","0.0889","0.0894","","","","","","1.043","","","","has coordinates","179451","2020-10-21","18:00:00",""
"4335432","13.1976","0.0003","13.1976","0.0003","38.5008","0.0008","90","","90","","120","","5807.5","0.2","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","[Cu2(2,6-dppeb)3]I2","","","- C201 H144 Cl6 Cu4 I4 N6 P12 -","- C201 H144 Cl6 Cu4 I4 N6 P12 -","- C201 H144 Cl6 Cu4 I4 N6 P12 -","1","0.0833333","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0857","0.0837","","","0.2424","0.2456","","","","","","1.04","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4335433","13.3154","0.0009","13.3154","0.0009","38.938","0.003","90","","90","","120","","5978.8","0.7","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","[Au2(2,6-dppeb)3]I2","","","- C102 H75 Au2 Cl3 I2 N3 P6 -","- C102 H75 Au2 Cl3 I2 N3 P6 -","- C204 H150 Au4 Cl6 I4 N6 P12 -","2","0.166667","","Sang Ho Lim; Seth M. Cohen","Self-Assembled Supramolecular Clusters Based on Phosphines and Coinage Metals: Tetrahedra, Helicates, and Mesocates","Inorganic Chemistry","2013","52","","7862","7872","10.1021/ic302840x","","","1.54178","CuKα","","0.0866","0.0852","","","0.2364","0.239","","","","","","1.072","","","","has coordinates,has disorder","179457","2020-10-21","18:00:00",""
"4336646","13.2208","0.0012","13.2208","0.0012","7.9479","0.0014","90","","90","","120","","1203.1","0.3","296","","296","","","","","","","","","3","P -6 2 c","P -6c -2c","190","Compound-1","","","- Ag5 K S3 -","- Ag5 K S3 -","- Ag30 K6 S18 -","6","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.0344","0.0336","","","0.0789","0.0797","","","","","","1.333","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4336647","13.296","0.009","13.296","0.009","8.006","0.011","90","","90","","120","","1226","2","296","","296","","","","","","","","","3","P -6 2 c","P -6c -2c","190","Compound-2","","","- Ag5 Rb S3 -","- Ag5 Rb S3 -","- Ag30 Rb6 S18 -","6","0.5","","Chi Zhang; Kai-Ni Wang; Min Ji; Yong-Lin An","Mild Solvothermal Syntheses of Thioargentates A-Ag-S (A = K, Rb, Cs) and A-Ag-Ge-S (A = Na, Rb): Crucial Role of Excess Sulfur","Inorganic Chemistry","2013","52","","12367","12371","10.1021/ic402092r","","","0.71073","MoKα","","0.0431","0.0339","","","0.0935","0.1113","","","","","","1.062","","","","has coordinates","179469","2020-10-21","18:00:00",""
"4344191","7.19","","7.19","","16.662","","90","","90","","120","","745.96","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Rb3 (Mo2 Cl8)","","- Cl8 Mo2 Rb3 -","- Cl8.0001 Mo2 Rb3 -","- Cl16.0002 Mo4 Rb6 -","2","0.166667","","Bennett, M.J.; Brencic, J.V.; Cotton, F.A.","The preparation and structural characterization of trirubidium octachlorodimolybdenum. A binuclear structure with strong metal-metal bonding.","Inorganic Chemistry","1969","8","","1060","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","160793","2020-10-21","18:00:00",""
"4345073","22.4349","0.0005","22.4349","0.0005","28.8212","0.0009","90","","90","","120","","12562.9","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C171 H147 Er12 N3 O66 -","- C165 H93 Er12 O66 -","- C330 H186 Er24 O132 -","2","0.166667","","Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan","The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.","Inorganic chemistry","2017","56","4","2159","2164","10.1021/acs.inorgchem.6b02811","","x-ray","0.71073","MoKα","","0.0426","0.0366","","","0.097","0.0999","","","","","","1.034","","","","has coordinates","193418","2020-10-21","18:00:00",""
"4345074","22.6051","0.0004","22.6051","0.0004","28.9178","0.0007","90","","90","","120","","12797","0.4","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C171 H147 Gd12 N3 O66 -","- C165 H93 Gd12 O66 -","- C330 H186 Gd24 O132 -","2","0.166667","","Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan","The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.","Inorganic chemistry","2017","56","4","2159","2164","10.1021/acs.inorgchem.6b02811","","x-ray","0.71073","MoKα","","0.0399","0.0329","","","0.0684","0.0704","","","","","","1.015","","","","has coordinates","193418","2020-10-21","18:00:00",""
"4345351","22.5682","0.0006","22.5682","0.0006","28.9654","0.0008","90","","90","","120","","12776.3","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C171 H147 N3 O66 Tb12 -","- C165 H93 O66 Tb12 -","- C330 H186 O132 Tb24 -","2","0.166667","","Li, Yun-Jian; Wang, Yu-Ling; Liu, Qing-Yan","The Highly Connected MOFs Constructed from Nonanuclear and Trinuclear Lanthanide-Carboxylate Clusters: Selective Gas Adsorption and Luminescent pH Sensing.","Inorganic chemistry","2017","56","4","2159","2164","10.1021/acs.inorgchem.6b02811","","x-ray","0.71073","MoKα","","0.0571","0.0434","","","0.1074","0.1137","","","","","","1.006","","","","has coordinates","192908","2020-10-21","18:00:00",""
"4347384","18.6908","0.0008","18.6908","0.0008","22.3049","0.0009","90","","90","","120","","6748.2","0.5","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C102 H97.5 N12 Na2 Ni8 O33 P3 -","- C102 H87 N12 Na2 Ni8 O33 P3 -","- C204 H174 N24 Na4 Ni16 O66 P6 -","2","0.166667","","Escuer, Albert; Mayans, Júlia; Font-Bardia, Mercè","Linked Nickel Metallacrowns from a Phosphonate/2-Pyridyloximate Blend of Ligands: Structure and Magnetic Properties.","Inorganic chemistry","2016","55","6","3161","3168","10.1021/acs.inorgchem.6b00103","","","0.71073","MoKα","","0.0428","0.0391","","","0.1073","0.11","","","","","","1.107","","","","has coordinates","289268","2024-02-02","08:58:43",""
"4500727","15.7406","0.0006","15.7406","0.0006","36.836","0.003","90","","90","","120","","7904","0.8","293","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C145 H139 Cl3 F6 O33 Sn6 -","- C145 H126 Cl3 F6 O33 Sn6 -","- C290 H252 Cl6 F12 O66 Sn12 -","2","0.166667","","Chandrasekhar, V.; Thilagar, P.; Steiner, A.","Guest-Assisted Self-assembly of Organostannoxane Nanotubules on a Mica Surface","Crystal Growth & Design","2011","11","5","1446","","10.1021/cg2001927","","","0.71073","MoKα","","0.0761","0.0691","","","0.1732","0.1787","","","","","","0.981","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500908","17.3726","0.0007","17.3726","0.0007","10.0243","0.0008","90","","90","","120","","2620.1","0.3","298","0.2","298","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C9 H3 N O9 Sr2 -","- C9 H3 N O9 Sr2 -","- C54 H18 N6 O54 Sr12 -","6","0.5","","Lee, Dong Woo; Jo, Vinna; Ok, Kang Min","Sr2[C6H3(CO2)3(NO3)]·DMF: One-Dimensional Nano-Channel in a New Non-Centrosymmetric Strontium‒Organic Framework with High Thermal Stability","Crystal Growth & Design","2011","11","7","2698","","10.1021/cg200503d","","","0.71073","MoKα","","0.0454","0.0419","","","0.1512","0.1523","","","","","","1.247","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503674","13.8529","0.0008","13.8529","0.0008","7.4159","0.0008","90","","90","","120","","1232.47","0.17","298","2","298","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C6 H15 N27 O7 Zn4 -","- C6 H3 N27 O7 Zn4 -","- C12 H6 N54 O14 Zn8 -","2","0.166667","","Jiang, Tao; Zhang, Xian-Ming","Temperature Tuned Synthesis of ZincN,N-bis-(1(2)H-tetrazol-5-yl)-amine Complexes: From Zn3O Cluster-Based 3-Connected 63-hcband (3,6)-Connected (43)2(46)-kgdLayers to Zn5(OH)4Chain-Based 3D Open Framework","Crystal Growth & Design","2008","8","8","3077","","10.1021/cg800248b","","","0.71073","MoKα","","0.0628","0.0535","","","0.1236","0.1282","","","","","","1.089","","","","has coordinates","179571","2020-10-21","18:00:00",""
"5900017","7.27","","7.27","","8.44","","90","","90","","120","","386.32","","","","","","","","","","","","","4","P -6 2 c","","190","","Antimony dichloropropane","","- C3 H6 Cl2 Sb -","- C3 H9 Cl2 Sb -","- C6 H18 Cl4 Sb2 -","2","0.166667","","Wells, A. F.","The Crystal Structure of the Trimethylstibine Dihalides (CH~3~)~3~SbX~2~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","367","367","10.1524/zkri.1938.99.1.367","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900018","7.38","","7.38","","8.9","","90","","90","","120","","419.79","","","","","","","","","","","","","4","P -6 2 c","","190","","Antimony dibromopropane","","- C3 H6 Br2 Sb -","- C3 H9 Br2 Sb -","- C6 H18 Br4 Sb2 -","2","0.166667","","Wells, A. F.","The Crystal Structure of the Trimethylstibine Dihalides (CH~3~)~3~SbX~2~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","367","367","10.1524/zkri.1938.99.1.367","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"5900019","7.53","","7.53","","9.59","","90","","90","","120","","470.91","","","","","","","","","","","","","4","P -6 2 c","","190","","Antimony diiodopropane","","- C3 H6 I2 Sb -","- C3 H9 I2 Sb -","- C6 H18 I4 Sb2 -","2","0.166667","","Wells, A. F.","The Crystal Structure of the Trimethylstibine Dihalides (CH~3~)~3~SbX~2~","Zeitschrift für Kristallographie - Crystalline Materials","1938","99","1-6","367","367","10.1524/zkri.1938.99.1.367","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000341","7.321","","7.321","","7.322","","90","","90","","120","","339.86","","","","","","","","","","","","","3","P -6 2 c","","","","","","- Ir Sn Zr -","","","","","","Zumdick, M. F.; Pottgen, R.","Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn","Zeitschrift für Kristallographie","1999","214","2","90","97","10.1524/zkri.1999.214.2.90","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000342","7.131","","7.131","","7.054","","90","","90","","120","","310.65","","","","","","","","","","","","","3","P -6 2 c","","","","","","- Co Hf Sn -","","","","","","Zumdick, M. F.; Pottgen, R.","Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn","Zeitschrift für Kristallographie","1999","214","2","90","97","10.1524/zkri.1999.214.2.90","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000343","7.32","","7.32","","7.148","","90","","90","","120","","331.69","","","","","","","","","","","","","3","P -6 2 c","","","","","","- Hf Rh Sn -","","","","","","Zumdick, M. F.; Pottgen, R.","Determination of the superstructures for the stannides ZrIrSn, HfCoSn, and HfRhSn","Zeitschrift für Kristallographie","1999","214","2","90","97","10.1524/zkri.1999.214.2.90","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7003651","13.2836","0.0015","13.2836","0.0015","18.5844","0.0019","90","","90","","120","","2840","0.5","293","2","293","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C39 H57 Ag F6 Fe3 O12 P4 Se3 -","- C39 H57 Ag F6.02 Fe3 O12 P4 Se3 -","- C78 H114 Ag2 F12.04 Fe6 O24 P8 Se6 -","2","0.166667","","Santra, Bidyut Kumar; Chen, Jia-Li; Sarkar, Bijay; Liu, C. W.","The coordination chemistry of selenophosphite ligands. Synthesis and characterization of heterometallic tetranuclear clusters [M{CpFe(CO)2P(Se)(OR)2}3](PF6) (M = Cu, Ag; R = nPr, iPr) and [Cu(μ-X) {CpFe(CO)2P(Se)(OiPr)2}]2 (X = Cl, Br)","Dalton Transactions","2008","","17","2270","2276","10.1039/b717963d","","","0.71073","MoKα","","0.0446","0.0343","","","0.0857","0.0912","","","","","","1.036","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7003652","13.0809","0.0013","13.0809","0.0013","18.877","0.003","90","","90","","120","","2797.3","0.6","293","2","293","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C39 H57 Cu F6 Fe3 O12 P4 Se3 -","- C39 H57 Cu F5.99 Fe3 O12 P4 Se3 -","- C78 H114 Cu2 F11.98 Fe6 O24 P8 Se6 -","2","0.166667","","Santra, Bidyut Kumar; Chen, Jia-Li; Sarkar, Bijay; Liu, C. W.","The coordination chemistry of selenophosphite ligands. Synthesis and characterization of heterometallic tetranuclear clusters [M{CpFe(CO)2P(Se)(OR)2}3](PF6) (M = Cu, Ag; R = nPr, iPr) and [Cu(μ-X) {CpFe(CO)2P(Se)(OiPr)2}]2 (X = Cl, Br)","Dalton Transactions","2008","","17","2270","2276","10.1039/b717963d","","","0.71073","MoKα","","0.038","0.0285","","","0.0594","0.062","","","","","","1.053","","","","has coordinates","179740","2020-10-21","18:00:00",""
"7016988","13.2","0.001","13.2","0.001","7.117","0.001","90","","90","","120","","1073.93","0.19","173","2","173","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C12 H23 Br5 N6 -","- C12 H22.98 Br5 N6 -","- C24 H45.96 Br10 N12 -","2","0.166667","","Driver, Gordon W.; Mutikainen, Ilpo","The complex story of a simple Brønsted acid: Unusual speciation of HBr in an ionic liquid medium.","Dalton transactions (Cambridge, England : 2003)","2011","40","41","10801","10803","10.1039/c1dt10427f","","","0.71073","MoKα","","0.052","0.0364","","","0.0789","0.0895","","","","","","1.183","","","","has coordinates","179873","2020-10-21","18:00:00",""
"7021184","15","0.002","15","0.002","29.211","0.009","90","","90","","120","","5692","2","293","2","293","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C36 H108 Cl9 La3 N15 Na3 Ni9 O96 -","- C36 H84 Cl9 La3 N15 Ni9 O84 -","- C72 H168 Cl18 La6 N30 Ni18 O168 -","2","0.166667","","Li, Zhong-Yi; Zhu, Jiang; Wang, Xiao-Qun; Ni, Jun; Zhang, Jian-Jun; Liu, Shu-Qin; Duan, Chun-Ying","New 3d-4f heterometallic clusters built from mixed glycine and iminodiacetate acid: dioctahedron {La2Ni9} and onion-like {Gd5}⊂{Ni12} with interesting magnetocaloric effect.","Dalton transactions (Cambridge, England : 2003)","2013","42","16","5711","5717","10.1039/c3dt32752c","","","0.71073","MoKα","","0.0316","0.0298","","","0.0784","0.0796","","","","","","1.073","","","","has coordinates","179916","2020-10-21","18:00:00",""
"7030914","15.6681","0.0008","15.6681","0.0008","13.2867","0.0008","90","","90","","120","","2824.8","0.3","100","2","100","2","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","","- C63 H57 F6 N3 P Pt3 S3 Tl -","- C63 H57 F5.96 N3 P Pt3 S3 Tl -","- C126 H114 F11.92 N6 P2 Pt6 S6 Tl2 -","2","0.166667","","Belío, Ursula; Fuertes, Sara; Martín, Antonio","Preparation of Pt-Tl clusters showing new geometries. X-ray, NMR and luminescence studies.","Dalton transactions (Cambridge, England : 2003)","2014","43","28","10828","10843","10.1039/c4dt00536h","","","0.71073","MoKα","","0.0341","0.0331","","","0.0889","0.0894","","","","","","1.043","","","","has coordinates","180015","2020-10-21","18:00:00",""
"7036757","20.594","0.0016","20.594","0.0016","6.5304","0.0004","90","","90","","120","","2398.6","0.3","180","2","180","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C24 H49 Co4 N9 O27 P3 S0.5 -","- C24 H19 Co4 N9 O13 P3 -","- C48 H38 Co8 N18 O26 P6 -","2","0.166667","","Begum, S.; Horike, S.; Kitagawa, S.; Krautscheid, H.","Water stable triazolyl phosphonate MOFs: steep water uptake and facile regeneration.","Dalton transactions (Cambridge, England : 2003)","2015","44","43","18727","18730","10.1039/c5dt02651b","","","0.71073","MoKα","","0.0672","0.054","","","0.1347","0.1416","","","","","","0.978","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7047934","18.3047","0.0006","18.3047","0.0006","37.9711","0.0015","90","","90","","120","","11018.2","0.7","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C78 H85 Cd3 N13 O25 -","- C75 H66 Cd3 N12 O18 -","- C300 H264 Cd12 N48 O72 -","4","0.333333","","Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang","Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16197","16204","10.1039/c8dt03215g","","","0.71073","MoKα","","0.0897","0.0578","","","0.1583","0.1737","","","","","","0.974","","","","has coordinates","229956","2020-10-21","18:00:00",""
"7047935","19.456","0.0011","19.456","0.0011","37.381","0.003","90","","90","","120","","12254.3","1.4","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C84 H95 N15 O28 Zn3 -","- C75 H63 N12 O21 Zn3 -","- C300 H252 N48 O84 Zn12 -","4","0.333333","","Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang","Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16197","16204","10.1039/c8dt03215g","","","0.71073","MoKα","","0.1137","0.0763","","","0.2162","0.2403","","","","","","0.957","","","","has coordinates,has disorder","229956","2020-10-21","18:00:00",""
"7047936","18.113","0.0005","18.113","0.0005","39.272","0.0015","90","","90","","120","","11158.2","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C81 H78 Cd3 N12 O18 -","- C81 H78 Cd3 N12 O18 -","- C324 H312 Cd12 N48 O72 -","4","0.333333","","Kang, Da-Wei; Han, Xue; Ma, Xin-Jun; Liu, Ying-Ying; Ma, Jian-Fang","Two cyclotriveratrylene metal-organic frameworks as effective catalysts for Knoevenagel condensation and CO<sub>2</sub> cycloaddition with epoxides.","Dalton transactions (Cambridge, England : 2003)","2018","47","45","16197","16204","10.1039/c8dt03215g","","","0.71069","MoKα","","0.0954","0.0687","","","0.1809","0.2037","","","","","","1.093","","","","has coordinates","229956","2020-10-21","18:00:00",""
"7049963","12.991","0.0006","12.991","0.0006","23.1099","0.0012","90","","90","","120","","3377.6","0.3","100","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","Compound 1","","- C H0 N6 Na6 O73 V15 -","- C N6 Na6 O73 V15 -","- C2 N12 Na12 O146 V30 -","2","0.166667","","Mulkapuri, Sateesh; Kurapati, Sathish Kumar; Das, Samar K.","Carbonate encapsulation from dissolved atmospheric CO<sub>2</sub> into a polyoxovanadate capsule.","Dalton transactions (Cambridge, England : 2003)","2019","48","24","8773","8781","10.1039/c9dt01103j","","","0.71073","MoKα","","0.0313","0.0285","","","0.0769","0.0788","","","","","","1.085","","","","has coordinates","223785","2020-10-21","18:00:00",""
"7058007","10.84404","0.00019","10.84404","0.00019","15.4345","0.0004","90","","90","","120","","1571.83","0.06","120","2","120","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C15 H30 N9 Nd O12 S3 -","- C15 H27 N9 Nd O12 S3 -","- C30 H54 N18 Nd2 O24 S6 -","2","0.166667","","Packiaraj, S.; Kanchana, P.; Pushpaveni, A.; Puschmann, H.; Govindarajan, S.","Different coordination geometries of lighter lanthanates driven by the symmetry of guanidines as charge compensators","New Journal of Chemistry","2019","43","2","979","","10.1039/C8NJ03600D","","","0.7107","MoKα","","0.0371","0.0295","","","0.0767","0.0814","","","","","","1.092","","","","has coordinates,has disorder","224816","2020-10-21","18:00:00",""
"7058009","10.8781","0.0003","10.8781","0.0003","15.3633","0.0004","90","","90","","120","","1574.42","0.07","120","","120","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C15 H30 N9 O12 Pr S3 -","- C15 H30 N9 O12 Pr S3 -","- C30 H60 N18 O24 Pr2 S6 -","2","0.166667","","Packiaraj, S.; Kanchana, P.; Pushpaveni, A.; Puschmann, H.; Govindarajan, S.","Different coordination geometries of lighter lanthanates driven by the symmetry of guanidines as charge compensators","New Journal of Chemistry","2019","43","2","979","","10.1039/C8NJ03600D","","","0.7107","MoKα","","0.0368","0.0293","","","0.0753","0.0797","","","","","","1.094","","","","has coordinates,has disorder","224816","2020-10-21","18:00:00",""
"7059326","11.1399","0.0009","11.1399","0.0009","30.495","0.005","90","","90","","120","","3277.3","0.7","296","2","296.15","","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C H38 B24 K15 N2 Na O68 -","- C H37.9998 B24 K15 N2 Na O67.998 -","- C2 H75.9996 B48 K30 N4 Na2 O135.996 -","2","0.166667","","Cao, Yuchen; Zhang, Bingbing; Liu, Hongkun; Li, Danni; Wang, Ying","NaK15[B4O5(OH)4]6(NO2)2(CO3)·7H2O: assembly of an unprecedented mixed anion inorganic compound via a facile hydrothermal route","New Journal of Chemistry","2020","44","11","4253","4256","10.1039/D0NJ00249F","","","0.71073","MoKα","","0.0384","0.0316","","","0.0801","0.0844","","","","","","1.106","","","","has coordinates,has disorder","257891","2020-10-21","18:00:00",""
"7060587","11.409","0.0007","11.409","0.0007","6.5079","0.0004","90","","90","","120","","733.61","0.08","120","2","120","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","3,5-Dichloro-1H-1,2,4-triazole","","- C2 H Cl2 N3 -","- C2 H Cl2 N3 -","- C12 H6 Cl12 N18 -","6","0.5","","Kordestani, Nazanin; Amiri Rudbari, Hadi; Correia, Isabel; Valente, Andreia; Côrte-Real, Leonor; Islam, Mohammad Khairul; Micale, Nicola; Braun, Jason D.; Herbert, David E.; Tumanov, Nikolay; Wouters, Johan; Enamullah, Mohammed","Heteroleptic enantiopure Pd(ii)-complexes derived from halogen-substituted Schiff bases and 2-picolylamine: synthesis, experimental and computational characterization and investigation of the influence of chirality and halogen atoms on the anticancer activity","New Journal of Chemistry","2021","45","20","9163","9180","10.1039/D1NJ01491A","","","0.71073","MoKα","","0.0201","0.0195","","","0.0481","0.0484","","","","","","1.146","","","","has coordinates","266137","2021-06-05","19:20:48",""
"7100637","11.0282","0.001","11.0282","0.001","18.9717","0.001","90","","90","","120","","1998.2","0.3","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C58 Cr6 N2 O48 -","- C57.99 Cr6 N1.998 O48 -","- C57.99 Cr6 N1.998 O48 -","","","","Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble","An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology","Chemical Communications","2006","","","","","10.1039/b512169h","","","","","","","","","","","","","","","","","","","","","has coordinates","208201","2020-10-21","18:00:00",""
"7100638","12.1647","0.001","12.1647","0.001","27.1971","0.001","90","","90","","120","","3485.4","0.4","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C84 Cr6 N56 O50 -","- C84 Cr6 N56 O50 -","- C84 Cr6 N56 O50 -","","","","Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble","An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology","Chemical Communications","2006","","","","","10.1039/b512169h","","","","","","","","","","","","","","","","","","","","","has coordinates","208201","2020-10-21","18:00:00",""
"7100639","10.1751","0.001","10.1751","0.001","23.7722","0.001","90","","90","","120","","2131.5","0.3","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C90.4 Fe6 O46.4 -","- C90.402 Fe6 O46.396 -","- C90.402 Fe6 O46.396 -","","","","Christian Serre; Gerard Ferey; Caroline Mellot-Draznieks; Franck Millange; Suzy Surble","An new isoreticular class of Metal-Organic-Frameworks with the MIL-88 topology","Chemical Communications","2006","","","","","10.1039/b512169h","","","","","","","","","","","","","","","","","","","","","has coordinates","208201","2020-10-21","18:00:00",""
"7107838","19.4356","0.0009","19.4356","0.0009","27.893","0.003","90","","90","","120","","9124.8","1.1","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C66 H42 In3 O16 -","- C66 H36 In3 O16 -","- C132 H72 In6 O32 -","2","0.166667","","Fuxing Sun; Jiangtao Jia; Tsolmon Borjigin; Hao Ren; Tingting Zhang; Zheng Bian; Lianxun Gao; Guangshan Zhu","Highly porous and robust ionic MOFs with nia topology constructed by connecting an octahedral ligand and a trigonal prismatic metal cluster","Chem.Commun.","2012","48","","6010","","10.1039/c2cc32347h","","","0.71073","MoKα","","0.0262","0.0217","","","0.0416","0.0422","","","","","","0.978","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7107839","20.0962","0.0003","20.0962","0.0003","26.9145","0.0009","90","","90","","120","","9413.4","0.4","293","2","293","2","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","","- C66 H43 Mn3 O16 -","- C66 H36 Mn3 O16 -","- C132 H72 Mn6 O32 -","2","0.166667","","Fuxing Sun; Jiangtao Jia; Tsolmon Borjigin; Hao Ren; Tingting Zhang; Zheng Bian; Lianxun Gao; Guangshan Zhu","Highly porous and robust ionic MOFs with nia topology constructed by connecting an octahedral ligand and a trigonal prismatic metal cluster","Chem.Commun.","2012","48","","6010","","10.1039/c2cc32347h","","","0.71073","MoKα","","0.0567","0.037","","","0.0488","0.0514","","","","","","0.944","","","","has coordinates","180182","2020-10-21","18:00:00",""
"7108891","13.3201","0.0006","13.3201","0.0006","24.738","0.0013","90","","90","","120","","3801.1","0.3","200","2","200","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C36 H68 Cl16 Fe6 N12 O23 -","- C36 H66 Cl16 Fe6 N12 O23 -","- C72 H132 Cl32 Fe12 N24 O46 -","2","0.166667","","Prodius, Denis; Macaev, Fliur; Stingaci, Eugenia; Pogrebnoi, Vsevolod; Mereacre, Valeriu; Novitchi, Ghenadie; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.","Catalytic ""triangles"": binding of iron in task-specific ionic liquids","Chemical Communications (Cambridge, United Kingdom)","2013","49","19","1915","1917","10.1039/c2cc36741f","","","0.71073","MoKα","","0.0583","0.0457","","","0.1159","0.1226","","","","","","1.066","","","","has coordinates,has disorder","209773","2020-10-21","18:00:00",""
"7109533","19.848","0.0002","19.848","0.0002","27.853","0.0005","90","","90","","120","","9502.5","0.2","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C66 H0 N0 O16 Yb3 -","- C66 H36 O16 Yb3 -","- C132 H72 O32 Yb6 -","2","0.166667","","Yabing He; Hiroyasu Furukawa; Chuande Wu; Michael O'Keeffe; Rajamani Krishna; Banglin Chen","Low-energy regeneration and high productivity in a lanthanide-hexacarboxylate framework for high-pressure CO2-CH4-H2 separation","Chem.Commun.","2013","49","","6773","","10.1039/c3cc43196g","","","1.54178","CuKα","","0.0736","0.0633","","","0.1943","0.2097","","","","","","1.23","","","","has coordinates","180199","2020-10-21","18:00:00",""
"7110645","13.494","0.002","13.494","0.002","16.834","0.002","90","","90","","120","","2654.6","0.6","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","(Et4N)3[Ru(dithiolate)3].2CH3CN","","- C40 H66 N11 Ru S6 -","- C40 H66 N11 Ru S6 -","- C80 H132 N22 Ru2 S12 -","2","0.166667","","Maiti, Rabindranath; Shang, Maoyu; Graham Lappin, A.","A ruthenium(IV) complex with six sulfur donor atoms","Chemical Communications","1999","","23","2349","","10.1039/a905243g","","","0.71073","MoKα","","0.0252","0.0219","","0.0589","0.0568","","","","0.976","0.995","0.995","","","","","has coordinates","180220","2020-10-21","18:00:00",""
"7115933","18.058","0.004","18.058","0.004","14.612","0.003","90","","90","","120","","4126.5","1.5","296","2","296","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C25 H21 B2 F8 N6 Ni -","- C25 H21 B2 F8.33333 N6 Ni -","- C150 H126 B12 F50 N36 Ni6 -","6","0.5","","Peili Zhang; Mei Wang; Yong Yang; Dehua Zheng; Kai Han; Licheng Sun","Highly efficient molecular nickel catalysts for electrochemical hydrogen production from neutral water","Chem.Commun.","2014","50","","14153","","10.1039/C4cc05511J","","","0.71073","MoKα","","0.091","0.0594","","","0.1617","0.1834","","","","","","1.023","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7122380","14.5594","0.0005","14.5594","0.0005","13.7247","0.0007","90","","90","","120","","2519.54","0.18","100.01","0.1","100.01","0.1","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Co-pydc","","- C29 H18 Co3 N O16 -","- C29.0001 H18.0001 Co3 N0.9999 O16 -","- C58.0002 H36.0002 Co6 N1.9998 O32 -","2","0.166667","","Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan","Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.","Chemical communications (Cambridge, England)","2018","54","85","12029","12032","10.1039/c8cc06593d","","x-ray","0.71073","MoKα","","0.0285","0.0261","","","0.0684","0.0691","","","","","","1.107","","","","has coordinates,has disorder","228379","2020-10-21","18:00:00",""
"7122381","14.3406","0.0002","14.3406","0.0002","14.1626","0.0004","90","","90","","120","","2522.37","0.09","150","0.1","150","0.1","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Co-pydc-TPB-activated","","- C50.01 H28 Co3 N4 O13 -","- C50.01 H28 Co3 N3.9999 O13 -","- C100.02 H56 Co6 N7.9998 O26 -","2","0.166667","","Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan","Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.","Chemical communications (Cambridge, England)","2018","54","85","12029","12032","10.1039/c8cc06593d","","x-ray","1.54184","CuKα","","0.0633","0.0595","","","0.1627","0.1659","","","","","","1.09","","","","has coordinates,has disorder","228379","2020-10-21","18:00:00",""
"7122382","14.339","0.0002","14.339","0.0002","14.359","0.0003","90","","90","","120","","2556.78","0.07","150","0.1","150","0.1","","","","","","","","5","P -6 2 c","P -6c -2c","190","","Co-pydc-TPB","","- C50.01 H28 Co3 N4 O13 -","- C50.01 H28 Co3 N3.9999 O13 -","- C100.02 H56 Co6 N7.9998 O26 -","2","0.166667","","Zhang, Qing-Qing; Liu, Xiao-Fei; Ma, Lin; Wei, Yong-Sheng; Wang, Zhao-Yang; Xu, Hong; Zang, Shuang-Quan","Remoulding a MOF's pores by auxiliary ligand introduction for stability improvement and highly selective CO<sub>2</sub>-capture.","Chemical communications (Cambridge, England)","2018","54","85","12029","12032","10.1039/c8cc06593d","","x-ray","1.54184","CuKα","","0.0695","0.0646","","","0.1835","0.1914","","","","","","1.114","","","","has coordinates,has disorder","228379","2020-10-21","18:00:00",""
"7130694","16.6805","0.0005","16.6805","0.0005","24.152","0.0013","90","","90","","120","","5819.7","0.4","180","2","180","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C60 H78 F41 N12 P7 Pd3 -","- C60 H78 F41 N12 P7 Pd3 -","- C120 H156 F82 N24 P14 Pd6 -","2","0.166667","","Abe, Tsukasa; Horiuchi, Shinnosuke; Hiraoka, Shuichi","Kinetically controlled narcissistic self-sorting of Pd(ii)-linked self-assemblies from structurally similar tritopic ligands","Chemical Communications","2022","","","","","10.1039/D2CC04496J","","","1.54184","CuKα","","0.1016","0.083","","","0.2268","0.2556","","","","","","1.036","","","","has coordinates,has disorder","277716","2022-09-07","22:04:16",""
"7200275","16.6361","0.0008","16.6361","0.0008","27.868","0.003","90","","90","","120","","6679.4","0.9","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C22 H29 N5 Ni O9 -","- C13 H7 N2 Ni O6 -","- C156 H84 N24 Ni12 O72 -","12","1","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.1658","0.1472","","","0.4233","0.4438","","","","","","1.757","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7209370","10.48","","10.48","","13.415","","90","","90","","120","","1275.98","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Tl6 Ag2 I10","","- Ag2 I10 Tl6 -","- Ag2 I10 Tl6 -","- Ag4 I20 Tl12 -","2","0.166667","","Stoeger, W.; Rabenau, A.","Tl6 Ag2 I10, ein Polyiodid mit Ag2-Paaren. Darstellung, Eigenschaften und Kristallstruktur","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1978","33","","740","744","","","","","","","","","","","","","","","","","","","","","","has coordinates","180424","2020-10-21","18:00:00",""
"7209409","10.569","","10.569","","13.431","","90","","90","","120","","1299.29","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Tl6 Au2 I10","","- Au2 I10 Tl6 -","- Au2 I10 Tl6 -","- Au4 I20 Tl12 -","2","0.166667","","Stoeger, W.; Rabenau, A.","Darstellung, Eigenschaften und Kristallstruktur von Tl6 Au2 I10","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (33,1978-41,1986)","1979","34","","685","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","180425","2020-10-21","18:00:00",""
"7212776","22.9885","0.0013","22.9885","0.0013","21.3679","0.0014","90","","90","","120","","9779.4","1","173","2","173","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- H150 K12 O239 P6 Rb6 V8 W39 -","- K11.982 O203 P6 Rb6 V8 W39 -","- K23.964 O406 P12 Rb12 V16 W78 -","2","0.166667","","Assran, Awatef S.; Izarova, Natalya V.; Kortz, Ulrich","Mixed-valent vanadium substituted polyoxometalates: the wheel shaped [Rb3⊂{VVVIV3O7(H2O)6}2{H6P6W39O147(H2O)3}]15−","CrystEngComm","2010","12","10","2684","","10.1039/c0ce00068j","","","0.71073","MoKα","","0.0574","0.045","","","0.105","0.1128","","","","","","1.104","","","","has coordinates,has disorder","180458","2020-10-21","18:00:00",""
"7221229","7.946","","7.946","","6.527","","90","","90","","120","","356.896","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","","- Li2 Sb -","- Li2 Sb -","- Li12 Sb6 -","6","0.5","","Mueller, W.","Darstellung und Struktur der Phase Li2 Sb","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1977","32","","357","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222598","7.3837","","7.3837","","7.2947","","90","","90","","120","","344.418","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sc Pt Sn","","- Pt Sc Sn -","- Pt Sc Sn -","- Pt6 Sc6 Sn6 -","6","0.5","","Mishra, R.; Poettgen, R.; Mosel, B.D.; Hoffmann, R.D.; Trill, H.; Piotrowski, H.; Zumdick, M.F.","The stannides RE Rh Sn (RE= Ho-Yb) and Sc T Sn (T= Pd, Pt) - structure refinements and 119Sn Moessbauer spectroscopy","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (42,1987-)","2001","56","","589","597","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7236550","11.3535","0.0009","11.3535","","11.701","0.0012","90","","90","","120","","1306.21","0.17","298","","298","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- C18 H21 N15 -","- C18 H21 N15 -","- C36 H42 N30 -","2","0.166667","","Wang, Hailong; Wu, Hui; Kan, Jinglan; Chang, Ganggang; Yao, Zizhu; Li, Bin; Zhou, Wei; Xiang, Shengchang; Cong-Gui Zhao, John; Chen, Banglin","A microporous hydrogen-bonded organic framework with amine sites for selective recognition of small molecules","Journal of Materials Chemistry A","2017","5","18","8292","","10.1039/C7TA01364G","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","0.08038","","1.44","","","","","","","has coordinates","236300","2020-10-21","18:00:00",""
"7236667","17.993","0.001","17.993","0.001","24.7387","0.0011","90","","90","","120","","6936.1","0.6","100","2","100","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C36 H23 Cl3 Cu1.5 N6 O16 Sc3 -","- C36 H18 Cl3 Cu1.5 N6 O16 Sc3 -","- C72 H36 Cl6 Cu3 N12 O32 Sc6 -","2","0.166667","","Marshall, Ross J.; Lennon, Ciaran T.; Tao, Andi; Senn, Hans M.; Wilson, Claire; Fairen-Jimenez, David; Forgan, Ross S.","Controlling interpenetration through linker conformation in the modulated synthesis of Sc metal‒organic frameworks","Journal of Materials Chemistry A","2018","6","3","1181","","10.1039/C7TA09699B","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.0614","","","0.1703","0.1891","","","","","","0.952","","","","has coordinates","236399","2020-10-21","18:00:00",""
"7241794","31.808","0.0016","31.808","0.0016","16.9754","0.0008","90","","90","","120","","14873.8","1.3","173","","173","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C58 H38 N O16 Sc3 -","- C58 H38 N O16 Sc3 -","- C348 H228 N6 O96 Sc18 -","6","0.5","","Prasad, Ram R. R.; Pleass, Charlotte; Rigg, Amber L.; Cordes, David B.; Lozinska, Magdalena M.; Georgieva, Veselina M.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Wright, Paul A.","Isoreticular chemistry of scandium analogues of the multicomponent metal‒organic framework MIL-142","CrystEngComm","2021","23","4","804","812","10.1039/D0CE01593H","","","1.54187","CuKα","","0.0414","0.0405","","","0.1114","0.1124","","","","","","1.037","","","","has coordinates","261611","2021-02-04","23:00:11",""
"7242864","25.8926","0.0009","25.8926","0.0009","18.9542","0.0007","90","","90","","120","","11004.9","0.7","150","2","150","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C108 H66 Cl4 Co14 N30 O25 S12 -","- C216 H132 Cl8 Co28 N60 O50 S24 -","2","0.166667","","Yu, Yanan; Wang, Zhao; Li, Ziping; Hang, Xinxin; Bi, Yanfeng","Assembly of {Co14} nanoclusters from adenine-modified Co4-thiacalix[4]arene units","CrystEngComm","2021","23","24","4382","4388","10.1039/D1CE00440A","","","0.71073","MoKα","","0.067","0.0523","","","0.1342","0.1484","","","","","","1.056","","","","has coordinates,has disorder","267103","2021-07-05","17:05:47",""
"7245153","10.473","0.001","10.473","0.001","7.2162","0.0006","90","","90","","120","","685.46","0.11","342","","342","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.035","0.0288","","","0.0715","0.0742","","","","","","1.071","","","","has coordinates","276812","2022-07-22","23:29:18",""
"7245155","10.3782","0.0006","10.3782","0.0006","7.153","0.0004","90","","90","","120","","667.21","0.07","187","","187","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0352","0.03","","","0.0725","0.0747","","","","","","1.086","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245156","10.5556","0.0006","10.5556","0.0006","7.2239","0.0003","90","","90","","120","","697.06","0.06","390","","390","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","","0.71073","MoKα","","0.0574","0.0452","","","0.1161","0.1259","","","","","","1.005","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245157","10.453","0.0005","10.453","0.0005","7.1875","0.0003","90","","90","","120","","680.13","0.05","303","","303","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0374","0.0279","","","0.0648","0.0682","","","","","","1.097","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245158","10.3499","0.0005","10.3499","0.0005","7.1351","0.0004","90","","90","","120","","661.92","0.06","135","","135","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0282","0.0261","","","0.0814","0.0834","","","","","","0.71","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7245159","10.411","0.0007","10.411","0.0007","7.1669","0.0004","90","","90","","120","","672.74","0.07","239","","239","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C9 H12 Co K N5 O3 -","- C9 H12 Co K N5 O3 -","- C18 H24 Co2 K2 N10 O6 -","2","0.166667","","Tsunashima, Ryo; Fujikawa, Naomi; Shiga, Misaki; Miyagawa, Sayu; Ohno, Shiori; Masuya-Suzuki, Atsuko; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Nishihara, Sadafumi","Slider-crank Mechanism in a Molecular Crystal: Conversion of Linear Thermal Expansion of Lattice to Circular Rotation of Coordination Chain","CrystEngComm","2022","","","","","10.1039/D2CE00768A","","x-ray","0.71073","MoKα","","0.0317","0.0274","","","0.0665","0.068","","","","","","1.138","","","","has coordinates","276812","2022-07-22","23:29:19",""
"7700619","11.5764","0.0006","11.5764","0.0006","32.67","0.003","90","","90","","120","","3791.6","0.4","130","2","130","2","","","","","","","","7","P -6 2 c","P -6c -2c","190","","","","- C41 H100 Br3 Cl6 N5 Re12 S14 -","- C Br3 Cl6 Re12 S14 -","- C2 Br6 Cl12 Re24 S28 -","2","0.166667","","Gayfulin, Yakov M.; Brylev, Konstantin A.; Ryzhikov, Maxim R.; Samsonenko, Denis G.; Kitamura, Noboru; Mironov, Yuri V.","Luminescent twelve-nuclear rhenium clusters.","Dalton transactions (Cambridge, England : 2003)","2019","48","33","12522","12530","10.1039/c9dt02352f","","x-ray","0.71073","MoKα","","0.0919","0.0575","","","0.1456","0.156","","","","","","1.051","","","","has coordinates","223982","2020-10-21","18:00:00",""
"8102958","7.1572","0.0002","7.1572","0.0002","6.8945","0.0004","90","","90","","120","","305.86","0.02","293","2","295.15","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","","","- Ga Hf Pd -","- Ga Hf Pd -","- Ga6 Hf6 Pd6 -","6","0.5","","Demchyna, R.; Prots, Yu.; Burkhardt, U.; Schwarz, U.; Grin, Yu.","Crystal structure of hafnium palladium gallium, HfPdGa","Zeitschrift für Kristallographie - New Crystal Structures","2006","221","4","427","428","","","","0.7107","MoKα","","","0.019","","","","0.019","","","","","","1.02","","","","has coordinates","176466","2020-10-21","18:00:00",""
"8103493","8.7503","","8.7503","","6.3742","","90","","90","","120","","422.671","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Ga3 Pt9 B4","","- B4 Ga3 Pt9 -","- B4 Ga3 Pt9 -","- B8 Ga6 Pt18 -","2","0.166667","","Petry, K.; Jung, W.; Kluenter, W.","Zn3 Pt9 B4, Ga2.7 Ir9 B5 und Ga3 Pt9 B4, Zink und Gallium- Uebergangsmetallboride mit neuen Kristallstrukturen","Zeitschrift fuer Kristallographie (149,1979-)","1994","209","","151","156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176728","2020-10-21","18:00:00",""
"9000056","7.16","","7.16","","9.79","","90","","90","","120","","434.65","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","Bastnasite-(Ce)","- C Ce F O3 -","- C Ce F O3 -","- C6 Ce6 F6 O18 -","6","0.5","","Donnay, G.; Donnay, J. D. H.","The crystallography of bastnaesite, parasite, roentgenite, and synchisite","American Mineralogist","1953","38","","932","963","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:13:59",""
"9000266","15.78","","15.78","","9.1","","90","","90","","120","","1962.39","","","","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","Connellite","- Cl2.001 Cu9.048 H33.999 N0.034 O36.699 S0.133 -","- Cl2.001 Cu9.048 H33.999 N0.034 O36.699 S0.133 -","- Cl4.002 Cu18.096 H67.998 N0.068 O73.398 S0.266 -","2","0.166667","","McLean, W. J.; Anthony, J. W.","The disordered, ""zeolite-like"" structure of connellite","American Mineralogist","1972","57","","426","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:29",""
"9000826","8.528","","8.528","","33.33","","90","","90","","120","","2099.23","","","","","","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","Jagoite","- Cl3 Fe4.5 O41 Pb11 Si12.5 -","- Cl3 Fe4.5 O41 Pb11 Si12.5 -","- Cl6 Fe9 O82 Pb22 Si25 -","2","0.166667","","Mellini, M.; Merlino, S.","The crystal structure of jagoite","American Mineralogist","1981","66","","852","858","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:40",""
"9001515","7.1175","","7.1175","","9.7619","","90","","90","","120","","428.272","","","","","","","","","","","","","4","P -6 2 c","P -6c -2c","190","","","Bastnasite-(Ce)","- C Ce F O3 -","- C Ce F O3 -","- C6 Ce6 F6 O18 -","6","0.5","","Ni, Y.; Hughes, J. M.; Mariano, A. N.","The atomic arrangement of bastnasite-(Ce), Ce(CO3)F, and structural elements of synchysite-(Ce), rontgenite-(Ce), and parisite-(Ce)","American Mineralogist","1993","78","","415","418","","","","","","","","","","","","","","","","","","","","","","has coordinates","291269","2024-04-18","16:14:41",""
"9004034","5.965","","5.965","","11.757","","90","","90","","120","","362.283","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Skala, R.; Cisarova, I.; Drabek, M.","Inversion twinning in troilite Sample: Etter","American Mineralogist","2006","91","","917","921","10.2138/am.2006.1999","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004035","5.965","","5.965","","11.759","","90","","90","","120","","362.345","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Skala, R.; Cisarova, I.; Drabek, M.","Inversion twinning in troilite Sample: Georgetown","American Mineralogist","2006","91","","917","921","10.2138/am.2006.1999","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004036","5.966","","5.966","","11.765","","90","","90","","120","","362.651","","","","","","","","","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","Skala, R.; Cisarova, I.; Drabek, M.","Inversion twinning in troilite Sample: Synthetic","American Mineralogist","2006","91","","917","921","10.2138/am.2006.1999","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004638","9.302","","9.302","","8.26","","90","","90","","120","","618.961","","","","","","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","Grimselite","- C3 H4 K3 Na O12 U -","- C3 H2 K3 Na O12 U -","- C6 H4 K6 Na2 O24 U2 -","2","0.166667","","Li, Y.; Burns, P. C.","The crystal structure of synthetic grimselite, K3Na[(UO2)(CO3)3](H2O)","The Canadian Mineralogist","2001","39","","1147","1151","10.2113/gscanmin.39.4.1147","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005015","10.139","","10.139","","14.269","","90","","90","","120","","1270.32","","","","100","","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","Roedderite","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.24 K1.88 Mg9.5 Mn0.2 Na2.04 O60 Si24 Ti0.02 -","2","0.166667","","Armbruster, T.","Crystal chemistry of double-ring silicates: structure of roedderite at 100 and 300 K T= 100 K","European Journal of Mineralogy","1989","1","","715","718","10.1127/ejm/1/5/0715","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9005016","10.141","","10.141","","14.286","","90","","90","","120","","1272.34","","","","300","","","","","","","","","8","P -6 2 c","P -6c -2c","190","","","Roedderite","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.12 K0.94 Mg4.75 Mn0.1 Na1.02 O30 Si12 Ti0.01 -","- Fe0.24 K1.88 Mg9.5 Mn0.2 Na2.04 O60 Si24 Ti0.02 -","2","0.166667","","Armbruster, T.","Crystal chemistry of double-ring silicates: structure of roedderite at 100 and 300 K T= 300 K","European Journal of Mineralogy","1989","1","","715","718","10.1127/ejm/1/5/0715","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9007650","5.963","","5.963","","11.754","","90","","90","","120","","361.948","","","","294","","","","100","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","King, Jr, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 0.0001 GPa","Acta Crystallographica, Section B","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007651","5.999","","5.999","","11.71","","90","","90","","120","","364.96","","","","393","","","","100","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","King, Jr, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 393 K, P = 0.0001 GPa","Acta Crystallographica, Section B","1982","38","7","1877","1887","10.1107/S0567740882007523s","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007652","5.861","","5.861","","11.577","","90","","90","","120","","344.406","","","","294","","","","3330000","","","","","2","P -6 2 c","P -6c -2c","190","","","Troilite","- Fe S -","- Fe S -","- Fe12 S12 -","12","1","","King, Jr, H. E.; Prewitt, C. T.","High-pressure and high-temperature polymorphism of iron sulfides (FeS) Sample: T = 294 K, P = 3.33 GPa","Acta Crystallographica, Section B","1982","38","7","1877","1887","10.1107/S0567740882007523","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9011406","7.094","","7.094","","9.718","","90","","90","","120","","423.536","","","","","","","","","","","","Western Cheyenne Canyon, Colorado, USA","4","P -6 2 c","P -6c -2c","190","","","Bastnasite-(La)","- Ce0.5 F La0.5 O2 -","- Ce0.5 F La0.5 O2 -","- Ce3 F6 La3 O12 -","6","0.5","","Oftedal, I.","Zur kristallstruktur von bastnasit (Ce,La–)FCO3 Note: positions of C and at least one O undetermined","Zeitschrift fur Kristallographie","1931","78","","462","469","","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011729","8.867","","8.867","","10.875","","90","","90","","120","","740.48","","","","","","","","","","","","Synthetic","5","P -6 2 c","P -6c -2c","190","","","Fleischerite","- Ge H12 O17 Pb3 S2 -","- Ge H12 O17 Pb3 S2 -","- Ge2 H24 O34 Pb6 S4 -","2","0.166667","","Otto, H. H.","Die kristallstruktur von fleischerite, Pb3Ge[(OH)6|(SO4)2]*3H2O sowie kristallchemische untersuchungen an isotypen verbindungen","Neues Jahrbuch fur Mineralogie, Abhandlungen","1975","123","","160","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012080","8.56","","8.56","","10.76","","90","","90","","120","","682.795","","","","","","","","","","","","Tachgagalt, Morocco","5","P -6 2 c","P -6c -2c","190","","","Despujolsite","- Ca3 H12 Mn O17 S2 -","- Ca3 H12 Mn O17 S2 -","- Ca6 H24 Mn2 O34 S4 -","2","0.166667","","Gaudefroy, C.; Granger, M. M.; Permingeat, F.; Protas, J.","La despujolsite, une nouvelle espece minerale","Bulletin de la Societe Francaise de Mineralogie et de Cristallographie","1968","91","","43","50","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012717","6.3165","","6.3165","","7.4278","","90","","90","","120","","256.652","","","","","","","","","","","","Synthetic","3","P -6 2 c","P -6c -2c","190","","","Majakite","- As Ni0.808 Pd1.192 -","- As Ni0.808 Pd1.192 -","- As6 Ni4.848 Pd7.152 -","6","0.5","","Evstigneeva, T.; Kabalov, Y.; Schneider, J.","Crystal structure of PdNiAs, ordered member of isomorphous series Pd2As-Ni2As","Materials Science Forum","2000","321","","700","705","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9014502","9.2507","","9.2507","","8.1788","","90","","90","","120","","606.135","","","","","","","","","","","","Jachymov, Czech Republic","6","P -6 2 c","P -6c -2c","190","","","Grimselite","- C3 H2 K2.463 Na1.537 O12 U -","- C3 H2 K2.463 Na1.537 O12 U -","- C6 H4 K4.926 Na3.074 O24 U2 -","2","0.166667","","Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P.","The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample A","Mineralogical Magazine","2012","76","","443","453","10.1180/minmag.2012.076.3.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:51",""
"9016453","9.3","","9.3","","8.294","","90","","90","","120","","621.242","","","","","","","","","","","","Jachymov, Czech Republic","6","P -6 2 c","P -6c -2c","190","","","Grimselite","- C3 H2 K3 Na O12 U -","- C3 H2 K3 Na O12 U -","- C6 H4 K6 Na2 O24 U2 -","2","0.166667","","Plasil, J.; Fejfarova, K.; Skala, R.; Skoda, R.; Meisser, N.; Hlousek, J.; Cisarova, I.; Dusek, M.; Veselovsky, F.; Cejka, J.; Sejkora, J.; Ondrus, P.","The crystal chemistry of the uranyl carbonate mineral grimselite, (K,Na)3Na[(UO2)(CO3)3](H2O), from Jachymov, Czech Republic Note: Sample B","Mineralogical Magazine","2012","76","","443","453","10.1180/minmag.2012.076.3.01","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""